From 063b30bb5e8161134ae764742636ab538e10eea7 Mon Sep 17 00:00:00 2001 From: pvtroshin Date: Tue, 21 Jun 2011 10:02:51 +0000 Subject: [PATCH] new mafft v 6.857 with extensions git-svn-id: link to svn.lifesci.dundee.ac.uk/svn/barton/ptroshin/JABA2@4286 e3abac25-378b-4346-85de-24260fe3988d --- binaries/src/mafft/core/DNA.h | 210 + binaries/src/mafft/core/Falign.c | 2375 ++++ binaries/src/mafft/core/Falign_localhom.c | 871 ++ binaries/src/mafft/core/Galign11.c | 758 ++ binaries/src/mafft/core/Halignmm.c | 1419 +++ binaries/src/mafft/core/JTT.c | 244 + binaries/src/mafft/core/Lalign11.c | 559 + binaries/src/mafft/core/Lalign11.c.fast | 887 ++ binaries/src/mafft/core/Lalign11.c_nostatic | 522 + binaries/src/mafft/core/Lalignmm.c | 2685 +++++ binaries/src/mafft/core/MSalign11.c | 665 ++ binaries/src/mafft/core/MSalignmm.c | 1753 +++ binaries/src/mafft/core/MSalignmm.c.algAa | 1295 +++ binaries/src/mafft/core/MSalignmm.c.algLargeA | 1461 +++ binaries/src/mafft/core/MSalignmm.c.alga | 1461 +++ binaries/src/mafft/core/MSalignmm.c.algsmalla | 1264 +++ binaries/src/mafft/core/MSalignmm.c.back | 939 ++ binaries/src/mafft/core/MSalignmm.c.bkbk | 1410 +++ binaries/src/mafft/core/MSalignmm.c.bug | 1492 +++ binaries/src/mafft/core/MSalignmm.c.work | 1174 ++ binaries/src/mafft/core/Makefile | 511 + binaries/src/mafft/core/Qalignmm.c | 2181 ++++ binaries/src/mafft/core/Ralignmm.c | 1213 ++ binaries/src/mafft/core/SAalignmm.c | 378 + binaries/src/mafft/core/Salignmm.c | 1860 ++++ binaries/src/mafft/core/addfunctions.c | 437 + binaries/src/mafft/core/blosum.c | 266 + binaries/src/mafft/core/blosum.h | 11 + binaries/src/mafft/core/constants.c | 1037 ++ binaries/src/mafft/core/contrafoldwrap.c | 312 + binaries/src/mafft/core/countlen.c | 61 + binaries/src/mafft/core/defs.c | 108 + binaries/src/mafft/core/disttbfast.c | 1799 +++ binaries/src/mafft/core/dndblast.c | 396 + binaries/src/mafft/core/dndfast4.c | 241 + binaries/src/mafft/core/dndfast7.c | 340 + binaries/src/mafft/core/dndpre.c | 277 + binaries/src/mafft/core/dndpre2.c | 176 + binaries/src/mafft/core/dndpre_score.c | 54 + binaries/src/mafft/core/dp.h | 10 + binaries/src/mafft/core/dvtditr.c | 711 ++ binaries/src/mafft/core/f2cl.c | 273 + binaries/src/mafft/core/fft.c | 125 + binaries/src/mafft/core/fft.h | 15 + binaries/src/mafft/core/fftFunctions.c | 760 ++ binaries/src/mafft/core/functions.h | 319 + binaries/src/mafft/core/genGalign11.c | 486 + binaries/src/mafft/core/genalign11.c | 661 ++ binaries/src/mafft/core/getlag.c | 461 + binaries/src/mafft/core/io.c | 4600 ++++++++ binaries/src/mafft/core/iteration.c | 412 + binaries/src/mafft/core/mafft-distance.c | 401 + binaries/src/mafft/core/mafft-homologs.1 | 131 + binaries/src/mafft/core/mafft-homologs.tmpl | 374 + binaries/src/mafft/core/mafft-profile.c | 504 + binaries/src/mafft/core/mafft.1 | 479 + binaries/src/mafft/core/mafft.bat | 17 + binaries/src/mafft/core/mafft.tmpl | 1658 +++ binaries/src/mafft/core/mafft.tmpl.subopt | 788 ++ binaries/src/mafft/core/mccaskillwrap.c | 423 + binaries/src/mafft/core/mingw64mingw32 | 15 + binaries/src/mafft/core/miyata.h | 47 + binaries/src/mafft/core/miyata5.h | 166 + binaries/src/mafft/core/mltaln.h | 302 + binaries/src/mafft/core/mltaln9.c | 7281 ++++++++++++ binaries/src/mafft/core/mtxutl.c | 562 + binaries/src/mafft/core/mtxutl.h | 50 + binaries/src/mafft/core/multi2hat3s.c | 388 + binaries/src/mafft/core/newick2mafft.rb | 132 + binaries/src/mafft/core/nj.c | 195 + binaries/src/mafft/core/pair2hat3s.c | 467 + binaries/src/mafft/core/pairash.c | 1412 +++ binaries/src/mafft/core/pairlara.c | 942 ++ binaries/src/mafft/core/pairlocalalign.c | 1516 +++ binaries/src/mafft/core/partQalignmm.c | 1262 +++ binaries/src/mafft/core/partSalignmm.c | 1266 +++ binaries/src/mafft/core/regtable2seq.c | 212 + binaries/src/mafft/core/replaceu.c | 145 + binaries/src/mafft/core/restoreu.c | 229 + binaries/src/mafft/core/rna.c | 560 + binaries/src/mafft/core/rnatest.c | 460 + binaries/src/mafft/core/score.c | 96 + binaries/src/mafft/core/seq2regtable.c | 88 + binaries/src/mafft/core/setcore.c | 503 + binaries/src/mafft/core/sextet5.c | 318 + binaries/src/mafft/core/share.h | 16 + binaries/src/mafft/core/splittbfast.c | 3274 ++++++ binaries/src/mafft/core/suboptalign11.c | 678 ++ binaries/src/mafft/core/tbfast.c | 1880 ++++ binaries/src/mafft/core/tddis.c | 940 ++ binaries/src/mafft/core/tditeration.c | 2399 ++++ binaries/src/mafft/core/test.c | 7 + binaries/src/mafft/core/treeOperation.c | 658 ++ binaries/src/mafft/core/univscript.tmpl | 35 + binaries/src/mafft/extensions/Makefile | 34 + .../mafft/extensions/mxscarna_src/AlifoldMEA.cpp | 211 + .../src/mafft/extensions/mxscarna_src/AlifoldMEA.h | 63 + .../mafft/extensions/mxscarna_src/BPPMatrix.hpp | 130 + .../src/mafft/extensions/mxscarna_src/Beta.hpp | 201 + .../extensions/mxscarna_src/GlobalParameters.cpp | 27 + .../src/mafft/extensions/mxscarna_src/Globaldp.cpp | 557 + .../src/mafft/extensions/mxscarna_src/Globaldp.hpp | 109 + binaries/src/mafft/extensions/mxscarna_src/Main.cc | 1872 ++++ .../src/mafft/extensions/mxscarna_src/Makefile | 76 + .../mafft/extensions/mxscarna_src/McCaskill.cpp | 839 ++ .../mafft/extensions/mxscarna_src/McCaskill.hpp | 202 + binaries/src/mafft/extensions/mxscarna_src/README | 129 + .../mafft/extensions/mxscarna_src/ScoreType.hpp | 340 + .../extensions/mxscarna_src/StemCandidate.hpp | 129 + .../src/mafft/extensions/mxscarna_src/Util.hpp | 102 + .../src/mafft/extensions/mxscarna_src/config.h | 86 + .../src/mafft/extensions/mxscarna_src/nrutil.h | 991 ++ .../src/mafft/extensions/mxscarna_src/params-weird | 10 + .../extensions/mxscarna_src/postProcessings.cpp | 91 + .../mxscarna_src/probconsRNA/CompareToRef.cc | 348 + .../extensions/mxscarna_src/probconsRNA/Defaults.h | 86 + .../mxscarna_src/probconsRNA/Defaults.h_backup | 57 + .../mxscarna_src/probconsRNA/EMtrainingALL.txt | 11 + .../mxscarna_src/probconsRNA/EvolutionaryTree.h | 200 + .../mxscarna_src/probconsRNA/FileBuffer.h | 104 + .../extensions/mxscarna_src/probconsRNA/FixRef.cc | 1000 ++ .../extensions/mxscarna_src/probconsRNA/Main.cc | 1870 ++++ .../mxscarna_src/probconsRNA/MakeGnuPlot.cc | 58 + .../extensions/mxscarna_src/probconsRNA/Makefile | 58 + .../mxscarna_src/probconsRNA/MultiSequence.h | 1120 ++ .../mxscarna_src/probconsRNA/ProbabilisticModel.h | 1211 ++ .../mxscarna_src/probconsRNA/ProjectPairwise.cc | 71 + .../extensions/mxscarna_src/probconsRNA/README | 107 + .../mxscarna_src/probconsRNA/SafeVector.h | 56 + .../mxscarna_src/probconsRNA/ScoreType.h | 340 + .../extensions/mxscarna_src/probconsRNA/Sequence.h | 515 + .../mxscarna_src/probconsRNA/SparseMatrix.h | 341 + .../extensions/mxscarna_src/probconsRNA/mlparams0 | 11 + .../mxscarna_src/probconsRNA/train-script | 30 + .../src/mafft/extensions/mxscarna_src/scarna.hpp | 124 + .../src/mafft/extensions/mxscarna_src/seq2scs.cpp | 620 ++ .../mafft/extensions/mxscarna_src/vienna/COPYING | 15 + .../extensions/mxscarna_src/vienna/energy_const.h | 23 + .../extensions/mxscarna_src/vienna/energy_par.h | 61 + .../mxscarna_src/vienna/energy_param.cpp |11600 ++++++++++++++++++++ .../mxscarna_src/vienna/energy_param.hpp | 111 + .../mafft/extensions/mxscarna_src/vienna/params.h | 32 + binaries/src/mafft/extensions/univscript.tmpl | 36 + binaries/src/mafft/license | 48 + binaries/src/mafft/license.extensions | 120 + binaries/src/mafft/readme | 139 + binaries/src/mafft/test/sample | 285 + binaries/src/mafft/test/sample.dpparttree | 576 + binaries/src/mafft/test/sample.fftns2 | 468 + binaries/src/mafft/test/sample.fftnsi | 468 + binaries/src/mafft/test/sample.gins1 | 468 + binaries/src/mafft/test/sample.ginsi | 468 + binaries/src/mafft/test/sample.lins1 | 468 + binaries/src/mafft/test/sample.linsi | 468 + binaries/src/mafft/test/sample.parttree | 540 + binaries/src/mafft/test/samplerna | 36 + binaries/src/mafft/test/samplerna.qinsi | 35 + binaries/src/mafft/test/samplerna.xinsi | 35 + 158 files changed, 108248 insertions(+) create mode 100644 binaries/src/mafft/core/DNA.h create mode 100644 binaries/src/mafft/core/Falign.c create mode 100644 binaries/src/mafft/core/Falign_localhom.c create mode 100644 binaries/src/mafft/core/Galign11.c create mode 100644 binaries/src/mafft/core/Halignmm.c create mode 100644 binaries/src/mafft/core/JTT.c create mode 100644 binaries/src/mafft/core/Lalign11.c create mode 100644 binaries/src/mafft/core/Lalign11.c.fast create mode 100644 binaries/src/mafft/core/Lalign11.c_nostatic create mode 100644 binaries/src/mafft/core/Lalignmm.c create mode 100644 binaries/src/mafft/core/MSalign11.c create mode 100644 binaries/src/mafft/core/MSalignmm.c create mode 100644 binaries/src/mafft/core/MSalignmm.c.algAa create mode 100644 binaries/src/mafft/core/MSalignmm.c.algLargeA create mode 100644 binaries/src/mafft/core/MSalignmm.c.alga create mode 100644 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binaries/src/mafft/test/sample.parttree create mode 100644 binaries/src/mafft/test/samplerna create mode 100644 binaries/src/mafft/test/samplerna.qinsi create mode 100644 binaries/src/mafft/test/samplerna.xinsi diff --git a/binaries/src/mafft/core/DNA.h b/binaries/src/mafft/core/DNA.h new file mode 100644 index 0000000..5f05fa1 --- /dev/null +++ b/binaries/src/mafft/core/DNA.h @@ -0,0 +1,210 @@ +#define DEFAULTGOP_N -1530 +#define DEFAULTGEP_N 0 +#define DEFAULTOFS_N -123 +#define DEFAULTPAMN 200 + +#define DEFAULTRNAGOP_N -1530 +#define DEFAULTRNAGEP_N 0 +#define DEFAULTRNATHR_N 0 + +// -h 0.11150 -> all positive + +double ribosum4[4][4] = +{ +// a g c t +{ 2.22, -1.46, -1.86, -1.39, }, // a +{ -1.46, 1.03, -2.48, -1.74, }, // g +{ -1.86, -2.48, 1.16, -1.05, }, // c +{ -1.39, -1.74, -1.05, 1.65, }, // t +}; + +double ribosum16[16][16] = +{ +// aa ag ac at ga gg gc gt ca cg cc ct ta tg tc tt +{ -2.49, -8.24, -7.04, -4.32, -6.86, -8.39, -5.03, -5.84, -8.84, -4.68, -14.37, -12.64, -4.01, -6.16, -11.32, -9.05, }, // aa +{ -8.24, -0.80, -8.89, -5.13, -8.61, -5.38, -5.77, -6.60, -10.41, -4.57, -14.53, -10.14, -5.43, -5.94, -8.87, -11.07, }, // ag +{ -7.04, -8.89, -2.11, -2.04, -9.73, -11.05, -3.81, -4.72, -9.37, -5.86, -9.08, -10.45, -5.33, -6.93, -8.67, -7.83, }, // ac +{ -4.32, -5.13, -2.04, 4.49, -5.33, -5.61, 2.70, 0.59, -5.56, 1.67, -6.71, -5.17, 1.61, -0.51, -4.81, -2.98, }, // at +{ -6.86, -8.61, -9.73, -5.33, -1.05, -8.67, -4.88, -6.10, -7.98, -6.00, -12.43, -7.71, -5.85, -7.55, -6.63, -11.54, }, // ga +{ -8.39, -5.38, -11.05, -5.61, -8.67, -1.98, -4.13, -5.77, -11.36, -4.66, -12.58, -13.69, -5.75, -4.27, -12.01, -10.79, }, // gg +{ -5.03, -5.77, -3.81, 2.70, -4.88, -4.13, 5.62, 1.21, -5.95, 2.11, -3.70, -5.84, 1.60, -0.08, -4.49, -3.90, }, // gc +{ -5.84, -6.60, -4.72, 0.59, -6.10, -5.77, 1.21, 3.47, -7.93, -0.27, -7.88, -5.61, -0.57, -2.09, -5.30, -4.45, }, // gt +{ -8.84, -10.41, -9.37, -5.56, -7.98, -11.36, -5.95, -7.93, -5.13, -3.57, -10.45, -8.49, -2.42, -5.63, -7.08, -8.39, }, // ca +{ -4.68, -4.57, -5.86, 1.67, -6.00, -4.66, 2.11, -0.27, -3.57, 5.36, -5.71, -4.96, 2.75, 1.32, -4.91, -3.67, }, // cg +{ -14.37, -14.53, -9.08, -6.71, -12.43, -12.58, -3.70, -7.88, -10.45, -5.71, -3.59, -5.77, -6.88, -8.41, -7.40, -5.41, }, // cc +{ -12.64, -10.14, -10.45, -5.17, -7.71, -13.69, -5.84, -5.61, -8.49, -4.96, -5.77, -2.28, -4.72, -7.36, -3.83, -5.21, }, // ct +{ -4.01, -5.43, -5.33, 1.61, -5.85, -5.75, 1.60, -0.57, -2.42, 2.75, -6.88, -4.72, 4.97, 1.14, -2.98, -3.39, }, // ta +{ -6.16, -5.94, -6.93, -0.51, -7.55, -4.27, -0.08, -2.09, -5.63, 1.32, -8.41, -7.36, 1.14, 3.36, -4.76, -4.28, }, // tg +{ -11.32, -8.87, -8.67, -4.81, -6.63, -12.01, -4.49, -5.30, -7.08, -4.91, -7.40, -3.83, -2.98, -4.76, -3.21, -5.97, }, // tc +{ -9.05, -11.07, -7.83, -2.98, -11.54, -10.79, -3.90, -4.45, -8.39, -3.67, -5.41, -5.21, -3.39, -4.28, -5.97, -0.02, }, // tt +}; + +int locpenaltyn = -1750; +char locaminon[] = "agctuAGCTUnNbdhkmnrsvwyx-O"; +char locgrpn[] = +{ + 0, 1, 2, 3, 3, 0, 1, 2, 3, 3, + 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, + 5, 5, 5, 5, 5, 5 +}; +int exgpn = +00; +int locn_disn[26][26] = +/* u ha constants.c no nakade shori */ +/* 0 - 4 dake yomareru. */ + { + { + 1000, 600, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 600, 1000, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 1000, 600, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 600, 1000, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 500, 500, 0, 0, 0, 500, 500, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, -500, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, + }, + + { + -500, -500, -500, -500, -500, -500, -500, -500, -500, -500, + -500, -500, -500, -500, -500, -500, -500, -500, -500, -500, + -500, -500, -500, -500, 0, 500, + }, + }; diff --git a/binaries/src/mafft/core/Falign.c b/binaries/src/mafft/core/Falign.c new file mode 100644 index 0000000..250a0fa --- /dev/null +++ b/binaries/src/mafft/core/Falign.c @@ -0,0 +1,2375 @@ +#include "mltaln.h" + +#if 0 +static FILE *fftfp; +#endif +static TLS int n20or4or2; + +#define KEIKA 0 +#define RND 0 +#define DEBUG 0 + +#if RND // by D.Mathog +static void generateRndSeq( char *seq, int len ) +{ + while( len-- ) +#if 1 + *seq++ = (int)( rnd() * n20or4or2 ); +#else + *seq++ = (int)1; +#endif +} +#endif + +static void vec_init( Fukusosuu *result, int nlen ) +{ + while( nlen-- ) + { + result->R = result->I = 0.0; + result++; + } +} + +#if 0 // by D.Mathog +static void vec_init2( Fukusosuu **result, char *seq, double eff, int st, int ed ) +{ + int i; + for( i=st; i= 0 ) result->R += incr * score[n]; +#if 0 + fprintf( stderr, "n=%d, score=%f, inc=%f R=%f\n",n, score[n], incr * score[n], result->R ); +#endif + } +} + +static void seq_vec_3( Fukusosuu **result, double incr, char *seq ) +{ + int i; + int n; + for( i=0; *seq; i++ ) + { + n = amino_n[(int)*seq++]; + if( n < n20or4or2 && n >= 0 ) result[n][i].R += incr; + } +} + +static void seq_vec_5( Fukusosuu *result, double *score1, double *score2, double incr, char *seq ) +{ + int n; + for( ; *seq; result++ ) + { + n = amino_n[(int)*seq++]; + if( n > 20 ) continue; + result->R += incr * score1[n]; + result->I += incr * score2[n]; +#if 0 + fprintf( stderr, "n=%d, score=%f, inc=%f R=%f\n",n, score[n], incr * score[n], result->R ); +#endif + } +} + + +static void seq_vec_4( Fukusosuu *result, double incr, char *seq ) +{ + char s; + for( ; *seq; result++ ) + { + s = *seq++; + if( s == 'a' ) + result->R += incr; + else if( s == 't' ) + result->R -= incr; + else if( s == 'g' ) + result->I += incr; + else if( s == 'c' ) + result->I -= incr; + } +} + +#if 0 // by D.Mathog +static void seq_vec( Fukusosuu *result, char query, double incr, char *seq ) +{ +#if 0 + int bk = nlen; +#endif + while( *seq ) + { + if( *seq++ == query ) result->R += incr; + result++; +#if 0 +fprintf( stderr, "i = %d result->R = %f\n", bk-nlen, (result-1)->R ); +#endif + } +} + +static int checkRepeat( int num, int *cutpos ) +{ + int tmp, buf; + + buf = *cutpos; + while( num-- ) + { + if( ( tmp = *cutpos++ ) < buf ) return( 1 ); + buf = tmp; + } + return( 0 ); +} + +static int segcmp( void *ptr1, void *ptr2 ) +{ + int diff; + Segment **seg1 = (Segment **)ptr1; + Segment **seg2 = (Segment **)ptr2; +#if 0 + return( (*seg1)->center - (*seg2)->center ); +#else + diff = (*seg1)->center - (*seg2)->center; + if( diff ) return( diff ); + + diff = (*seg1)->start - (*seg2)->start; + if( diff ) return( diff ); + + diff = (*seg1)->end - (*seg2)->end; + if( diff ) return( diff ); + + fprintf( stderr, "USE STABLE SORT !!\n" ); + exit( 1 ); + return( 0 ); +#endif +} +#endif + + +static void mymergesort( int first, int last, Segment **seg ) +{ + int middle; + static TLS int i, j, k, p; + static TLS int allo = 0; + static TLS Segment **work = NULL; + + if( seg == NULL ) + { + free( work ); work = NULL; + return; + } + + if( last > allo ) + { + allo = last; + if( work ) free( work ); + work = (Segment **)calloc( allo / 2 + 1, sizeof( Segment *) ); + } + + if( first < last ) + { + middle = ( first + last ) / 2; + mymergesort( first, middle, seg ); + mymergesort( middle+1, last, seg ); + p = 0; + for( i=first; i<=middle; i++ ) work[p++] = seg[i]; + i = middle + 1; j = 0; k = first; + while( i <= last && j < p ) + { + if( work[j]->center <= seg[i]->center ) + seg[k++] = work[j++]; + else + seg[k++] = seg[i++]; + } + while( j < p ) seg[k++] = work[j++]; + } +} + + +double Fgetlag( char **seq1, char **seq2, + double *eff1, double *eff2, + int clus1, int clus2, + int alloclen ) +{ + int i, j, k, l, m; + int nlen, nlen2, nlen4; + static TLS int crossscoresize = 0; + static TLS char **tmpseq1 = NULL; + static TLS char **tmpseq2 = NULL; + static TLS char **tmpptr1 = NULL; + static TLS char **tmpptr2 = NULL; + static TLS char **tmpres1 = NULL; + static TLS char **tmpres2 = NULL; + static TLS char **result1 = NULL; + static TLS char **result2 = NULL; +#if RND + static TLS char **rndseq1 = NULL; + static TLS char **rndseq2 = NULL; +#endif + static TLS Fukusosuu **seqVector1 = NULL; + static TLS Fukusosuu **seqVector2 = NULL; + static TLS Fukusosuu **naiseki = NULL; + static TLS Fukusosuu *naisekiNoWa = NULL; + static TLS double *soukan = NULL; + static TLS double **crossscore = NULL; + int nlentmp; + static TLS int *kouho = NULL; + static TLS Segment *segment = NULL; + static TLS Segment *segment1 = NULL; + static TLS Segment *segment2 = NULL; + static TLS Segment **sortedseg1 = NULL; + static TLS Segment **sortedseg2 = NULL; + static TLS int *cut1 = NULL; + static TLS int *cut2 = NULL; + static TLS int localalloclen = 0; + int lag; + int tmpint; + int count, count0; + int len1, len2; + int totallen; + float dumfl = 0.0; + int headgp, tailgp; + + len1 = strlen( seq1[0] ); + len2 = strlen( seq2[0] ); + nlentmp = MAX( len1, len2 ); + + nlen = 1; + while( nlentmp >= nlen ) nlen <<= 1; +#if 0 + fprintf( stderr, "### nlen = %d\n", nlen ); +#endif + + nlen2 = nlen/2; nlen4 = nlen2 / 2; + +#if DEBUG + fprintf( stderr, "len1 = %d, len2 = %d\n", len1, len2 ); + fprintf( stderr, "nlentmp = %d, nlen = %d\n", nlentmp, nlen ); +#endif + + if( !localalloclen ) + { + kouho = AllocateIntVec( NKOUHO ); + cut1 = AllocateIntVec( MAXSEG ); + cut2 = AllocateIntVec( MAXSEG ); + tmpptr1 = AllocateCharMtx( njob, 0 ); + tmpptr2 = AllocateCharMtx( njob, 0 ); + result1 = AllocateCharMtx( njob, alloclen ); + result2 = AllocateCharMtx( njob, alloclen ); + tmpres1 = AllocateCharMtx( njob, alloclen ); + tmpres2 = AllocateCharMtx( njob, alloclen ); +// crossscore = AllocateDoubleMtx( MAXSEG, MAXSEG ); + segment = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment1 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment2 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + sortedseg1 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + sortedseg2 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + if( !( segment && segment1 && segment2 && sortedseg1 && sortedseg2 ) ) + ErrorExit( "Allocation error\n" ); + + if ( scoremtx == -1 ) n20or4or2 = 4; + else if( fftscore == 1 ) n20or4or2 = 2; + else n20or4or2 = 20; + } + if( localalloclen < nlen ) + { + if( localalloclen ) + { +#if 1 + FreeFukusosuuMtx ( seqVector1 ); + FreeFukusosuuMtx ( seqVector2 ); + FreeFukusosuuVec( naisekiNoWa ); + FreeFukusosuuMtx( naiseki ); + FreeDoubleVec( soukan ); + FreeCharMtx( tmpseq1 ); + FreeCharMtx( tmpseq2 ); +#endif +#if RND + FreeCharMtx( rndseq1 ); + FreeCharMtx( rndseq2 ); +#endif + } + + + tmpseq1 = AllocateCharMtx( njob, nlen ); + tmpseq2 = AllocateCharMtx( njob, nlen ); + naisekiNoWa = AllocateFukusosuuVec( nlen ); + naiseki = AllocateFukusosuuMtx( n20or4or2, nlen ); + seqVector1 = AllocateFukusosuuMtx( n20or4or2+1, nlen+1 ); + seqVector2 = AllocateFukusosuuMtx( n20or4or2+1, nlen+1 ); + soukan = AllocateDoubleVec( nlen+1 ); + +#if RND + rndseq1 = AllocateCharMtx( njob, nlen ); + rndseq2 = AllocateCharMtx( njob, nlen ); + for( i=0; i /dev/tty" ); +#endif + + if( fftkeika ) fprintf( stderr, " FFT ... " ); + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( k=0; k /dev/tty " ); +#endif + + fft( -nlen, naisekiNoWa, 0 ); + + for( m=0; m<=nlen2; m++ ) + soukan[m] = naisekiNoWa[nlen2-m].R; + for( m=nlen2+1; m /dev/tty" ); +#if 0 +fftfp = fopen( "list.plot", "w" ); +fprintf( fftfp, "plot 'frt'\n pause +1" ); +fclose( fftfp ); +system( "/usr/bin/gnuplot list.plot" ); +#endif +#endif + + + getKouho( kouho, NKOUHO, soukan, nlen ); + +#if 0 + for( i=0; iCandidate No.%d lag = %d\n", k+1, lag ); + fprintf( fftfp, "%s\n", tmpptr1[0] ); + fprintf( fftfp, ">Candidate No.%d lag = %d\n", k+1, lag ); + fprintf( fftfp, "%s\n", tmpptr2[0] ); + fprintf( fftfp, ">\n", k+1, lag ); + fclose( fftfp ); +#endif + tmpint = alignableReagion( clus1, clus2, tmpptr1, tmpptr2, eff1, eff2, segment+count ); + + if( count+tmpint > MAXSEG -3 ) ErrorExit( "TOO MANY SEGMENTS.\n" ); + + + if( tmpint == 0 ) break; // 060430 iinoka ? + while( tmpint-- > 0 ) + { + if( lag > 0 ) + { + segment1[count].start = segment[count].start ; + segment1[count].end = segment[count].end ; + segment1[count].center = segment[count].center; + segment1[count].score = segment[count].score; + + segment2[count].start = segment[count].start + lag; + segment2[count].end = segment[count].end + lag; + segment2[count].center = segment[count].center + lag; + segment2[count].score = segment[count].score ; + } + else + { + segment1[count].start = segment[count].start - lag; + segment1[count].end = segment[count].end - lag; + segment1[count].center = segment[count].center - lag; + segment1[count].score = segment[count].score ; + + segment2[count].start = segment[count].start ; + segment2[count].end = segment[count].end ; + segment2[count].center = segment[count].center; + segment2[count].score = segment[count].score ; + } +#if 0 + fprintf( stderr, "Goukaku=%dko\n", tmpint ); + fprintf( stderr, "in 1 %d\n", segment1[count].center ); + fprintf( stderr, "in 2 %d\n", segment2[count].center ); +#endif + segment1[count].pair = &segment2[count]; + segment2[count].pair = &segment1[count]; + count++; +#if 0 + fprintf( stderr, "count=%d\n", count ); +#endif + } + } + +#if 1 + fprintf( stderr, "done. (%d anchors)\r", count ); +#endif + if( !count && fftNoAnchStop ) + ErrorExit( "Cannot detect anchor!" ); +#if 0 + fprintf( stdout, "RESULT before sort:\n" ); + for( l=0; lnumber = i; + for( i=0; inumber = i; + + if( crossscoresize < count+2 ) + { + crossscoresize = count+2; + fprintf( stderr, "####################################################################################################################################allocating crossscore, size = %d\n", crossscoresize ); + if( crossscore ) FreeDoubleMtx( crossscore ); + crossscore = AllocateDoubleMtx( crossscoresize, crossscoresize ); + } + + for( i=0; inumber+1] = segment1[i].score; + cut1[i+1] = sortedseg1[i]->center; + cut2[i+1] = sortedseg2[i]->center; + } + +#if DEBUG + fprintf( stderr, "AFTER SORT\n" ); + for( i=0; i count ) + { + fprintf( stderr, "REPEAT!? \n" ); + if( fftRepeatStop ) exit( 1 ); + } +#if KEIKA + else + fprintf( stderr, "done\n" ); + fprintf( stderr, "done. (%d anchors)\n", count ); +#endif + } + +#if 0 + fftfp = fopen( "fft", "a" ); + fprintf( fftfp, "RESULT after sort:\n" ); + for( l=0; l alloclen ) ErrorExit( "LENGTH OVER in Falign\n " ); + for( j=0; j= nlen ) nlen <<= 1; +#if 0 + fprintf( stderr, "### nlen = %d\n", nlen ); +#endif + + nlen2 = nlen/2; nlen4 = nlen2 / 2; + +#if DEBUG + fprintf( stderr, "len1 = %d, len2 = %d\n", len1, len2 ); + fprintf( stderr, "nlentmp = %d, nlen = %d\n", nlentmp, nlen ); +#endif + + if( prevalloclen != alloclen ) // Falign_noudp mo kaeru + { + if( prevalloclen ) + { + FreeCharMtx( result1 ); + FreeCharMtx( result2 ); + FreeCharMtx( tmpres1 ); + FreeCharMtx( tmpres2 ); + } +// fprintf( stderr, "\n\n\nreallocating ...\n" ); + result1 = AllocateCharMtx( njob, alloclen ); + result2 = AllocateCharMtx( njob, alloclen ); + tmpres1 = AllocateCharMtx( njob, alloclen ); + tmpres2 = AllocateCharMtx( njob, alloclen ); + prevalloclen = alloclen; + } + if( !localalloclen ) + { + sgap1 = AllocateCharVec( njob ); + egap1 = AllocateCharVec( njob ); + sgap2 = AllocateCharVec( njob ); + egap2 = AllocateCharVec( njob ); + kouho = AllocateIntVec( NKOUHO ); + cut1 = AllocateIntVec( MAXSEG ); + cut2 = AllocateIntVec( MAXSEG ); + tmpptr1 = AllocateCharMtx( njob, 0 ); + tmpptr2 = AllocateCharMtx( njob, 0 ); +// crossscore = AllocateDoubleMtx( MAXSEG, MAXSEG ); + segment = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment1 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment2 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + sortedseg1 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + sortedseg2 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + if( !( segment && segment1 && segment2 && sortedseg1 && sortedseg2 ) ) + ErrorExit( "Allocation error\n" ); + + if ( scoremtx == -1 ) n20or4or2 = 1; + else if( fftscore ) n20or4or2 = 1; + else n20or4or2 = 20; + } + if( localalloclen < nlen ) + { + if( localalloclen ) + { +#if 1 + if( !kobetsubunkatsu ) + { + FreeFukusosuuMtx ( seqVector1 ); + FreeFukusosuuMtx ( seqVector2 ); + FreeFukusosuuVec( naisekiNoWa ); + FreeFukusosuuMtx( naiseki ); + FreeDoubleVec( soukan ); + } + FreeCharMtx( tmpseq1 ); + FreeCharMtx( tmpseq2 ); +#endif +#if RND + FreeCharMtx( rndseq1 ); + FreeCharMtx( rndseq2 ); +#endif + } + + tmpseq1 = AllocateCharMtx( njob, nlen ); + tmpseq2 = AllocateCharMtx( njob, nlen ); + if( !kobetsubunkatsu ) + { + naisekiNoWa = AllocateFukusosuuVec( nlen ); + naiseki = AllocateFukusosuuMtx( n20or4or2, nlen ); + seqVector1 = AllocateFukusosuuMtx( n20or4or2+1, nlen+1 ); + seqVector2 = AllocateFukusosuuMtx( n20or4or2+1, nlen+1 ); + soukan = AllocateDoubleVec( nlen+1 ); + } +#if RND + rndseq1 = AllocateCharMtx( njob, nlen ); + rndseq2 = AllocateCharMtx( njob, nlen ); + for( i=0; i /dev/tty" ); +#endif + if( !kobetsubunkatsu ) + { + if( fftkeika ) fprintf( stderr, " FFT ... " ); + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( k=0; k /dev/tty " ); +#endif + + fft( -nlen, naisekiNoWa, 0 ); + + for( m=0; m<=nlen2; m++ ) + soukan[m] = naisekiNoWa[nlen2-m].R; + for( m=nlen2+1; mCandidate No.%d lag = %d\n", k+1, lag ); + fprintf( fftfp, "%s\n", tmpptr1[0] ); + fprintf( fftfp, ">Candidate No.%d lag = %d\n", k+1, lag ); + fprintf( fftfp, "%s\n", tmpptr2[0] ); + fprintf( fftfp, ">\n", k+1, lag ); + fclose( fftfp ); +#endif + +// fprintf( stderr, "lag = %d\n", lag ); + tmpint = alignableReagion( clus1, clus2, tmpptr1, tmpptr2, eff1, eff2, segment+count ); + +// if( lag == -50 ) exit( 1 ); + + if( count+tmpint > MAXSEG -3 ) ErrorExit( "TOO MANY SEGMENTS.\n" ); + + + if( tmpint == 0 ) break; // 060430 iinoka ? + while( tmpint-- > 0 ) + { +#if 0 + if( segment[count].end - segment[count].start < fftWinSize ) + { + count++; + continue; + } +#endif + if( lag > 0 ) + { + segment1[count].start = segment[count].start ; + segment1[count].end = segment[count].end ; + segment1[count].center = segment[count].center; + segment1[count].score = segment[count].score; + + segment2[count].start = segment[count].start + lag; + segment2[count].end = segment[count].end + lag; + segment2[count].center = segment[count].center + lag; + segment2[count].score = segment[count].score ; + } + else + { + segment1[count].start = segment[count].start - lag; + segment1[count].end = segment[count].end - lag; + segment1[count].center = segment[count].center - lag; + segment1[count].score = segment[count].score ; + + segment2[count].start = segment[count].start ; + segment2[count].end = segment[count].end ; + segment2[count].center = segment[count].center; + segment2[count].score = segment[count].score ; + } +#if 0 + fprintf( stderr, "in 1 %d\n", segment1[count].center ); + fprintf( stderr, "in 2 %d\n", segment2[count].center ); +#endif + segment1[count].pair = &segment2[count]; + segment2[count].pair = &segment1[count]; + count++; + } + } +#if 0 + if( !kobetsubunkatsu && fftkeika ) + fprintf( stderr, "%d anchors found\r", count ); +#endif + if( !count && fftNoAnchStop ) + ErrorExit( "Cannot detect anchor!" ); +#if 0 + fprintf( stderr, "RESULT before sort:\n" ); + for( l=0; lnumber = i; + for( i=0; inumber = i; + + + if( kobetsubunkatsu ) + { + for( i=0; icenter; + cut2[i+1] = sortedseg2[i]->center; + } + cut1[0] = 0; + cut2[0] = 0; + cut1[count+1] = len1; + cut2[count+1] = len2; + count += 2; + } + else + { + if( crossscoresize < count+2 ) + { + crossscoresize = count+2; +#if 1 + if( fftkeika ) fprintf( stderr, "######allocating crossscore, size = %d\n", crossscoresize ); +#endif + if( crossscore ) FreeDoubleMtx( crossscore ); + crossscore = AllocateDoubleMtx( crossscoresize, crossscoresize ); + } + for( i=0; inumber+1] = segment1[i].score; + cut1[i+1] = sortedseg1[i]->center; + cut2[i+1] = sortedseg2[i]->center; + } + +#if 0 + fprintf( stderr, "AFTER SORT\n" ); + for( i=0; i count ) + { +#if 0 + fprintf( stderr, "\7 REPEAT!? \n" ); +#else + fprintf( stderr, "REPEAT!? \n" ); +#endif + if( fftRepeatStop ) exit( 1 ); + } +#if KEIKA + else fprintf( stderr, "done\n" ); +#endif + } + } + +#if 0 + fftfp = fopen( "fft", "a" ); + fprintf( fftfp, "RESULT after sort:\n" ); + for( l=0; l%d of GROUP1\n", j ); + fprintf( stdout, "%s\n", tmpres1[j] ); + } + for( j=0; j%d of GROUP2\n", j ); + fprintf( stdout, "%s\n", tmpres2[j] ); + } + fflush( stdout ); +#endif + switch( alg ) + { + case( 'a' ): + totalscore += Aalign( tmpres1, tmpres2, eff1, eff2, clus1, clus2, alloclen ); + break; + case( 'M' ): + totalscore += MSalignmm( tmpres1, tmpres2, eff1, eff2, clus1, clus2, alloclen, sgap1, sgap2, egap1, egap2, chudanpt, chudanref, chudanres, headgp, tailgp ); + break; + case( 'A' ): + if( clus1 == 1 && clus2 == 1 ) + { + totalscore += G__align11( tmpres1, tmpres2, alloclen, headgp, tailgp ); + } + else + totalscore += A__align( tmpres1, tmpres2, eff1, eff2, clus1, clus2, alloclen, NULL, &dumfl, sgap1, sgap2, egap1, egap2, chudanpt, chudanref, chudanres, headgp, tailgp ); + break; + case( 'H' ): + if( clus1 == 1 && clus2 == 1 ) + { + totalscore += G__align11( tmpres1, tmpres2, alloclen, headgp, tailgp ); + } + else + totalscore += H__align( tmpres1, tmpres2, eff1, eff2, clus1, clus2, alloclen, NULL, &dumfl, sgap1, sgap2, egap1, egap2 ); + break; + case( 'Q' ): + if( clus1 == 1 && clus2 == 1 ) + { + totalscore += G__align11( tmpres1, tmpres2, alloclen, headgp, tailgp ); + } + else + totalscore += Q__align( tmpres1, tmpres2, eff1, eff2, clus1, clus2, alloclen, NULL, &dumfl, sgap1, sgap2, egap1, egap2 ); + break; + default: + fprintf( stderr, "alg = %c\n", alg ); + ErrorExit( "ERROR IN SOURCE FILE Falign.c" ); + break; + } + +#ifdef enablemultithread + if( chudanres && *chudanres ) + { +// fprintf( stderr, "\n\n## CHUUDAN!!! at Falign_localhom\n" ); + return( -1.0 ); + } +#endif + + nlen = strlen( tmpres1[0] ); + if( totallen + nlen > alloclen ) + { + fprintf( stderr, "totallen=%d + nlen=%d > alloclen = %d\n", totallen, nlen, alloclen ); + ErrorExit( "LENGTH OVER in Falign\n " ); + } + for( j=0; j= nlen ) nlen <<= 1; +#if 0 + fprintf( stderr, "### nlen = %d\n", nlen ); +#endif + + nlen2 = nlen/2; nlen4 = nlen2 / 2; + +#if 0 + fprintf( stderr, "len1 = %d, len2 = %d\n", len1, len2 ); + fprintf( stderr, "nlentmp = %d, nlen = %d\n", nlentmp, nlen ); +#endif + + if( prevalloclen != alloclen ) // Falign_noudp mo kaeru + { + if( prevalloclen ) + { + FreeCharMtx( result1 ); + FreeCharMtx( result2 ); + FreeCharMtx( tmpres1 ); + FreeCharMtx( tmpres2 ); + } +// fprintf( stderr, "\n\n\nreallocating ...\n" ); + result1 = AllocateCharMtx( njob, alloclen ); + result2 = AllocateCharMtx( njob, alloclen ); + tmpres1 = AllocateCharMtx( njob, alloclen ); + tmpres2 = AllocateCharMtx( njob, alloclen ); + prevalloclen = alloclen; + } + + if( !localalloclen ) + { + sgap1 = AllocateCharVec( njob ); + egap1 = AllocateCharVec( njob ); + sgap2 = AllocateCharVec( njob ); + egap2 = AllocateCharVec( njob ); + kouho = AllocateIntVec( NKOUHO_LONG ); + cut1 = AllocateIntVec( MAXSEG ); + cut2 = AllocateIntVec( MAXSEG ); + tmpptr1 = AllocateCharMtx( njob, 0 ); + tmpptr2 = AllocateCharMtx( njob, 0 ); + segment = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment1 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment2 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + sortedseg1 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + sortedseg2 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + if( !( segment && segment1 && segment2 && sortedseg1 && sortedseg2 ) ) + ErrorExit( "Allocation error\n" ); + + if ( scoremtx == -1 ) n20or4or2 = 1; + else if( fftscore ) n20or4or2 = 1; + else n20or4or2 = 20; + } + if( localalloclen < nlen ) + { + if( localalloclen ) + { +#if 1 + if( !kobetsubunkatsu ) + { + FreeFukusosuuMtx ( seqVector1 ); + FreeFukusosuuMtx ( seqVector2 ); + FreeFukusosuuVec( naisekiNoWa ); + FreeFukusosuuMtx( naiseki ); + FreeDoubleVec( soukan ); + } + FreeCharMtx( tmpseq1 ); + FreeCharMtx( tmpseq2 ); +#endif +#if RND + FreeCharMtx( rndseq1 ); + FreeCharMtx( rndseq2 ); +#endif + } + + + tmpseq1 = AllocateCharMtx( njob, nlen ); + tmpseq2 = AllocateCharMtx( njob, nlen ); + if( !kobetsubunkatsu ) + { + naisekiNoWa = AllocateFukusosuuVec( nlen ); + naiseki = AllocateFukusosuuMtx( n20or4or2, nlen ); + seqVector1 = AllocateFukusosuuMtx( n20or4or2, nlen+1 ); + seqVector2 = AllocateFukusosuuMtx( n20or4or2, nlen+1 ); + soukan = AllocateDoubleVec( nlen+1 ); + } +#if RND + rndseq1 = AllocateCharMtx( njob, nlen ); + rndseq2 = AllocateCharMtx( njob, nlen ); + for( i=0; i /dev/tty" ); +#endif + if( !kobetsubunkatsu ) + { + fprintf( stderr, " FFT ... " ); + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( k=0; k /dev/tty " ); +#endif + + fft( -nlen, naisekiNoWa, 0 ); + + for( m=0; m<=nlen2; m++ ) + soukan[m] = naisekiNoWa[nlen2-m].R; + for( m=nlen2+1; mCandidate No.%d lag = %d\n", k+1, lag ); + fprintf( fftfp, "%s\n", tmpptr1[0] ); + fprintf( fftfp, ">Candidate No.%d lag = %d\n", k+1, lag ); + fprintf( fftfp, "%s\n", tmpptr2[0] ); + fprintf( fftfp, ">\n", k+1, lag ); + fclose( fftfp ); +#endif + +// fprintf( stderr, "lag = %d\n", lag ); + tmpint = alignableReagion( clus1, clus2, tmpptr1, tmpptr2, eff1, eff2, segment+count ); +// fprintf( stderr, "lag = %d, %d found\n", lag, tmpint ); + +// if( lag == -50 ) exit( 1 ); + + if( count+tmpint > MAXSEG -3 ) ErrorExit( "TOO MANY SEGMENTS.\n" ); + +// fprintf( stderr, "##### k=%d / %d\n", k, maxk ); +// if( tmpint == 0 ) break; // 060430 iinoka ? // 090530 yameta + while( tmpint-- > 0 ) + { +#if 0 + if( segment[count].end - segment[count].start < fftWinSize ) + { + count++; + continue; + } +#endif + if( lag > 0 ) + { + segment1[count].start = segment[count].start ; + segment1[count].end = segment[count].end ; + segment1[count].center = segment[count].center; + segment1[count].score = segment[count].score; + + segment2[count].start = segment[count].start + lag; + segment2[count].end = segment[count].end + lag; + segment2[count].center = segment[count].center + lag; + segment2[count].score = segment[count].score ; + } + else + { + segment1[count].start = segment[count].start - lag; + segment1[count].end = segment[count].end - lag; + segment1[count].center = segment[count].center - lag; + segment1[count].score = segment[count].score ; + + segment2[count].start = segment[count].start ; + segment2[count].end = segment[count].end ; + segment2[count].center = segment[count].center; + segment2[count].score = segment[count].score ; + } +#if 0 + fprintf( stderr, "##### k=%d / %d\n", k, maxk ); + fprintf( stderr, "anchor %d, score = %f\n", count, segment1[count].score ); + fprintf( stderr, "in 1 %d\n", segment1[count].center ); + fprintf( stderr, "in 2 %d\n", segment2[count].center ); +#endif + segment1[count].pair = &segment2[count]; + segment2[count].pair = &segment1[count]; + count++; +#if 0 + fprintf( stderr, "count=%d\n", count ); +#endif + } + } +#if 1 + if( !kobetsubunkatsu ) + fprintf( stderr, "done. (%d anchors) ", count ); +#endif + if( !count && fftNoAnchStop ) + ErrorExit( "Cannot detect anchor!" ); +#if 0 + fprintf( stderr, "RESULT before sort:\n" ); + for( l=0; lnumber = i; + for( i=0; inumber = i; + + + + if( kobetsubunkatsu ) + { + for( i=0; icenter; + cut2[i+1] = sortedseg2[i]->center; + } + cut1[0] = 0; + cut2[0] = 0; + cut1[count+1] = len1; + cut2[count+1] = len2; + count += 2; + } + + else + { + if( count < 5000 ) + { + if( crossscoresize < count+2 ) + { + crossscoresize = count+2; +#if 1 + if( fftkeika ) fprintf( stderr, "######allocating crossscore, size = %d\n", crossscoresize ); +#endif + if( crossscore ) FreeDoubleMtx( crossscore ); + crossscore = AllocateDoubleMtx( crossscoresize, crossscoresize ); + } + for( i=0; inumber+1] = segment1[i].score; + cut1[i+1] = sortedseg1[i]->center; + cut2[i+1] = sortedseg2[i]->center; + } + +#if 0 + fprintf( stderr, "AFTER SORT\n" ); + for( i=0; i count ) + { +#if 0 + fprintf( stderr, "\7 REPEAT!? \n" ); +#else + fprintf( stderr, "REPEAT!? \n" ); +#endif + if( fftRepeatStop ) exit( 1 ); + } +#if KEIKA + else fprintf( stderr, "done\n" ); +#endif + } + } + + + else + { + fprintf( stderr, "\nMany anchors were found. The upper-level DP is skipped.\n\n" ); + + cut1[0] = 0; + cut2[0] = 0; + count0 = 0; + for( i=0; icenter, sortedseg1[i]->pair->center ); + if( sortedseg1[i]->center > cut1[count0] + && sortedseg1[i]->pair->center > cut2[count0] ) + { + count0++; + cut1[count0] = sortedseg1[i]->center; + cut2[count0] = sortedseg1[i]->pair->center; + } + else + { + if( i && sortedseg1[i]->score > sortedseg1[i-1]->score ) + { + if( sortedseg1[i]->center > cut1[count0-1] + && sortedseg1[i]->pair->center > cut2[count0-1] ) + { + cut1[count0] = sortedseg1[i]->center; + cut2[count0] = sortedseg1[i]->pair->center; + } + else + { +// count0--; + } + } + } + } +// if( count-count0 ) +// fprintf( stderr, "%d anchors unused\n", count-count0 ); + cut1[count0+1] = len1; + cut2[count0+1] = len2; + count = count0 + 2; + count0 = count; + + } + } + +// exit( 0 ); + +#if 0 + fftfp = fopen( "fft", "a" ); + fprintf( fftfp, "RESULT after sort:\n" ); + for( l=0; l%d of GROUP1\n", j ); + fprintf( stdout, "%s\n", tmpres1[j] ); + } + for( j=0; j%d of GROUP2\n", j ); + fprintf( stdout, "%s\n", tmpres2[j] ); + } + fflush( stdout ); +#endif + switch( alg ) + { + case( 'M' ): + totalscore += MSalignmm( tmpres1, tmpres2, eff1, eff2, clus1, clus2, alloclen, sgap1, sgap2, egap1, egap2, NULL, 0, NULL, headgp, tailgp ); + break; + default: + fprintf( stderr, "alg = %c\n", alg ); + ErrorExit( "ERROR IN SOURCE FILE Falign.c" ); + break; + } + + nlen = strlen( tmpres1[0] ); + if( totallen + nlen > alloclen ) + { + fprintf( stderr, "totallen=%d + nlen=%d > alloclen = %d\n", totallen, nlen, alloclen ); + ErrorExit( "LENGTH OVER in Falign\n " ); + } + for( j=0; jR = result->I = 0.0; + result++; + } +} + +#if 0 +static void vec_init2( Fukusosuu **result, char *seq, double eff, int st, int ed ) +{ + int i; + for( i=st; i= 0 ) result->R += incr * score[n]; +#if 0 + fprintf( stderr, "n=%d, score=%f, inc=%f R=%f\n",n, score[n], incr * score[n], result->R ); +#endif + } +} + +static void seq_vec_3( Fukusosuu **result, double incr, char *seq ) +{ + int i; + int n; + for( i=0; *seq; i++ ) + { + n = amino_n[(int)*seq++]; + if( n < n20or4or2 && n >= 0 ) result[n][i].R += incr; + } +} + + +#if 0 +static void seq_vec( Fukusosuu *result, char query, double incr, char *seq ) +{ +#if 0 + int bk = nlen; +#endif + while( *seq ) + { + if( *seq++ == query ) result->R += incr; + result++; +#if 0 +fprintf( stderr, "i = %d result->R = %f\n", bk-nlen, (result-1)->R ); +#endif + } +} + +static int checkRepeat( int num, int *cutpos ) +{ + int tmp, buf; + + buf = *cutpos; + while( num-- ) + { + if( ( tmp = *cutpos++ ) < buf ) return( 1 ); + buf = tmp; + } + return( 0 ); +} + +static int segcmp( void *ptr1, void *ptr2 ) +{ + int diff; + Segment **seg1 = (Segment **)ptr1; + Segment **seg2 = (Segment **)ptr2; +#if 0 + return( (*seg1)->center - (*seg2)->center ); +#else + diff = (*seg1)->center - (*seg2)->center; + if( diff ) return( diff ); + + diff = (*seg1)->start - (*seg2)->start; + if( diff ) return( diff ); + + diff = (*seg1)->end - (*seg2)->end; + if( diff ) return( diff ); + + fprintf( stderr, "USE STABLE SORT !!\n" ); + exit( 1 ); + return( 0 ); +#endif +} + +#endif + + +static void mymergesort( int first, int last, Segment **seg ) +{ + int middle; + static TLS int i, j, k, p; + static TLS int allo = 0; + static TLS Segment **work = NULL; + + if( seg == NULL ) + { + free( work ); work = NULL; + return; + } + + if( last > allo ) + { + allo = last; + if( work ) free( work ); + work = (Segment **)calloc( allo / 2 + 1, sizeof( Segment *) ); + } + + if( first < last ) + { + middle = ( first + last ) / 2; + mymergesort( first, middle, seg ); + mymergesort( middle+1, last, seg ); + p = 0; + for( i=first; i<=middle; i++ ) work[p++] = seg[i]; + i = middle + 1; j = 0; k = first; + while( i <= last && j < p ) + { + if( work[j]->center <= seg[i]->center ) + seg[k++] = work[j++]; + else + seg[k++] = seg[i++]; + } + while( j < p ) seg[k++] = work[j++]; + } +} + + +float Falign_localhom( char **seq1, char **seq2, + double *eff1, double *eff2, + int clus1, int clus2, + int alloclen, + LocalHom ***localhom, float *totalimpmatch, + int *gapmap1, int *gapmap2, + int *chudanpt, int chudanref, int *chudanres ) +{ + // tditeration.c deha alloclen ha huhen nanode + // prevalloclen ha iranai. + int i, j, k, l, m, maxk; + int nlen, nlen2, nlen4; + static TLS int crossscoresize = 0; + static TLS char **tmpseq1 = NULL; + static TLS char **tmpseq2 = NULL; + static TLS char **tmpptr1 = NULL; + static TLS char **tmpptr2 = NULL; + static TLS char **tmpres1 = NULL; + static TLS char **tmpres2 = NULL; + static TLS char **result1 = NULL; + static TLS char **result2 = NULL; +#if RND + static TLS char **rndseq1 = NULL; + static TLS char **rndseq2 = NULL; +#endif + static TLS Fukusosuu **seqVector1 = NULL; + static TLS Fukusosuu **seqVector2 = NULL; + static TLS Fukusosuu **naiseki = NULL; + static TLS Fukusosuu *naisekiNoWa = NULL; + static TLS double *soukan = NULL; + static TLS double **crossscore = NULL; + int nlentmp; + static TLS int *kouho = NULL; + static TLS Segment *segment = NULL; + static TLS Segment *segment1 = NULL; + static TLS Segment *segment2 = NULL; + static TLS Segment **sortedseg1 = NULL; + static TLS Segment **sortedseg2 = NULL; + static TLS int *cut1 = NULL; + static TLS int *cut2 = NULL; + static TLS char *sgap1, *egap1, *sgap2, *egap2; + static TLS int localalloclen = 0; + int lag; + int tmpint; + int count, count0; + int len1, len2; + int totallen; + float totalscore; + float impmatch; + + extern Fukusosuu *AllocateFukusosuuVec(); + extern Fukusosuu **AllocateFukusosuuMtx(); + + if( seq1 == NULL ) + { + if( result1 ) + { +// fprintf( stderr, "Freeing localarrays in Falign\n" ); + localalloclen = 0; + mymergesort( 0, 0, NULL ); + alignableReagion( 0, 0, NULL, NULL, NULL, NULL, NULL ); + fft( 0, NULL, 1 ); + A__align( NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0, NULL, 0, 0 ); + G__align11( NULL, NULL, 0, 0, 0 ); + partA__align( NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, 0, 0, 0, 0, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0, NULL ); + blockAlign2( NULL, NULL, NULL, NULL, NULL, NULL ); + if( crossscore ) FreeDoubleMtx( crossscore ); + FreeCharMtx( result1 ); + FreeCharMtx( result2 ); + FreeCharMtx( tmpres1 ); + FreeCharMtx( tmpres2 ); + FreeCharMtx( tmpseq1 ); + FreeCharMtx( tmpseq2 ); + free( sgap1 ); + free( egap1 ); + free( sgap2 ); + free( egap2 ); + free( kouho ); + free( cut1 ); + free( cut2 ); + free( tmpptr1 ); + free( tmpptr2 ); + free( segment ); + free( segment1 ); + free( segment2 ); + free( sortedseg1 ); + free( sortedseg2 ); + if( !kobetsubunkatsu ) + { + FreeFukusosuuMtx ( seqVector1 ); + FreeFukusosuuMtx ( seqVector2 ); + FreeFukusosuuVec( naisekiNoWa ); + FreeFukusosuuMtx( naiseki ); + FreeDoubleVec( soukan ); + } + } + else + { +// fprintf( stderr, "Did not allocate localarrays in Falign\n" ); + } + + return( 0.0 ); + } + + len1 = strlen( seq1[0] ); + len2 = strlen( seq2[0] ); + nlentmp = MAX( len1, len2 ); + + nlen = 1; + while( nlentmp >= nlen ) nlen <<= 1; +#if 0 + fprintf( stderr, "### nlen = %d\n", nlen ); +#endif + + nlen2 = nlen/2; nlen4 = nlen2 / 2; + +#if DEBUG + fprintf( stderr, "len1 = %d, len2 = %d\n", len1, len2 ); + fprintf( stderr, "nlentmp = %d, nlen = %d\n", nlentmp, nlen ); +#endif + + if( !localalloclen ) + { + sgap1 = AllocateCharVec( njob ); + egap1 = AllocateCharVec( njob ); + sgap2 = AllocateCharVec( njob ); + egap2 = AllocateCharVec( njob ); + kouho = AllocateIntVec( NKOUHO ); + cut1 = AllocateIntVec( MAXSEG ); + cut2 = AllocateIntVec( MAXSEG ); + tmpptr1 = AllocateCharMtx( njob, 0 ); + tmpptr2 = AllocateCharMtx( njob, 0 ); + result1 = AllocateCharMtx( njob, alloclen ); + result2 = AllocateCharMtx( njob, alloclen ); + tmpres1 = AllocateCharMtx( njob, alloclen ); + tmpres2 = AllocateCharMtx( njob, alloclen ); +// crossscore = AllocateDoubleMtx( MAXSEG, MAXSEG ); + segment = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment1 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + segment2 = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); + sortedseg1 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + sortedseg2 = (Segment **)calloc( MAXSEG, sizeof( Segment * ) ); + if( !( segment && segment1 && segment2 && sortedseg1 && sortedseg2 ) ) + ErrorExit( "Allocation error\n" ); + + if ( scoremtx == -1 ) n20or4or2 = 4; + else if( fftscore == 1 ) n20or4or2 = 2; + else n20or4or2 = 20; + } + if( localalloclen < nlen ) + { + if( localalloclen ) + { +#if 1 + if( !kobetsubunkatsu ) + { + FreeFukusosuuMtx ( seqVector1 ); + FreeFukusosuuMtx ( seqVector2 ); + FreeFukusosuuVec( naisekiNoWa ); + FreeFukusosuuMtx( naiseki ); + FreeDoubleVec( soukan ); + } + FreeCharMtx( tmpseq1 ); + FreeCharMtx( tmpseq2 ); +#endif +#if RND + FreeCharMtx( rndseq1 ); + FreeCharMtx( rndseq2 ); +#endif + } + + tmpseq1 = AllocateCharMtx( njob, nlen ); + tmpseq2 = AllocateCharMtx( njob, nlen ); + if( !kobetsubunkatsu ) + { + naisekiNoWa = AllocateFukusosuuVec( nlen ); + naiseki = AllocateFukusosuuMtx( n20or4or2, nlen ); + seqVector1 = AllocateFukusosuuMtx( n20or4or2+1, nlen+1 ); + seqVector2 = AllocateFukusosuuMtx( n20or4or2+1, nlen+1 ); + soukan = AllocateDoubleVec( nlen+1 ); + } +#if RND + rndseq1 = AllocateCharMtx( njob, nlen ); + rndseq2 = AllocateCharMtx( njob, nlen ); + for( i=0; i /dev/tty" ); +#endif + if( !kobetsubunkatsu ) + { + fprintf( stderr, "FFT ... " ); + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( j=0; j /dev/tty" ); +#endif + + for( k=0; k /dev/tty " ); +#endif + + fft( -nlen, naisekiNoWa, 0 ); + + for( m=0; m<=nlen2; m++ ) + soukan[m] = naisekiNoWa[nlen2-m].R; + for( m=nlen2+1; m /dev/tty" ); +#if 0 + fftfp = fopen( "list.plot", "w" ); + fprintf( fftfp, "plot 'frt'\n pause +1" ); + fclose( fftfp ); + system( "/usr/bin/gnuplot list.plot" ); +#endif +#endif + + + getKouho( kouho, NKOUHO, soukan, nlen ); + +#if 0 + for( i=0; i MAXSEG -3 ) ErrorExit( "TOO MANY SEGMENTS.\n" ); + + + while( tmpint-- > 0 ) + { + if( lag > 0 ) + { + segment1[count].start = segment[count].start ; + segment1[count].end = segment[count].end ; + segment1[count].center = segment[count].center; + segment1[count].score = segment[count].score; + + segment2[count].start = segment[count].start + lag; + segment2[count].end = segment[count].end + lag; + segment2[count].center = segment[count].center + lag; + segment2[count].score = segment[count].score ; + } + else + { + segment1[count].start = segment[count].start - lag; + segment1[count].end = segment[count].end - lag; + segment1[count].center = segment[count].center - lag; + segment1[count].score = segment[count].score ; + + segment2[count].start = segment[count].start ; + segment2[count].end = segment[count].end ; + segment2[count].center = segment[count].center; + segment2[count].score = segment[count].score ; + } +#if 0 + fftfp = fopen( "cand", "a" ); + fprintf( fftfp, "Goukaku=%dko\n", tmpint ); + fprintf( fftfp, "in 1 %d\n", segment1[count].center ); + fprintf( fftfp, "in 2 %d\n", segment2[count].center ); + fclose( fftfp ); +#endif + segment1[count].pair = &segment2[count]; + segment2[count].pair = &segment1[count]; + count++; +#if 0 + fprintf( stderr, "count=%d\n", count ); +#endif + } + } +#if 1 + if( !kobetsubunkatsu ) + fprintf( stderr, "%d segments found\n", count ); +#endif + if( !count && fftNoAnchStop ) + ErrorExit( "Cannot detect anchor!" ); +#if 0 + fftfp = fopen( "fft", "a" ); + fprintf( fftfp, "RESULT before sort:\n" ); + for( l=0; lnumber = i; + for( i=0; inumber = i; + + + if( kobetsubunkatsu ) + { + for( i=0; icenter; + cut2[i+1] = sortedseg2[i]->center; + } + cut1[0] = 0; + cut2[0] = 0; + cut1[count+1] = len1; + cut2[count+1] = len2; + count += 2; + } + else + { + if( crossscoresize < count+2 ) + { + crossscoresize = count+2; +#if 1 + fprintf( stderr, "######allocating crossscore, size = %d\n", crossscoresize ); +#endif + if( crossscore ) FreeDoubleMtx( crossscore ); + crossscore = AllocateDoubleMtx( crossscoresize, crossscoresize ); + } + for( i=0; inumber+1] = segment1[i].score; + cut1[i+1] = sortedseg1[i]->center; + cut2[i+1] = sortedseg2[i]->center; + } + +#if DEBUG + fprintf( stderr, "AFTER SORT\n" ); + for( i=0; i count ) + { +#if 0 + fprintf( stderr, "\7 REPEAT!? \n" ); +#else + fprintf( stderr, "REPEAT!? \n" ); +#endif + if( fftRepeatStop ) exit( 1 ); + } +#if KEIKA + else fprintf( stderr, "done\n" ); +#endif + } + +#if 0 + fftfp = fopen( "fft", "a" ); + fprintf( fftfp, "RESULT after sort:\n" ); + for( l=0; l alloclen ) + { + fprintf( stderr, "totallen=%d + nlen=%d > alloclen = %d\n", totallen, nlen, alloclen ); + ErrorExit( "LENGTH OVER in Falign\n " ); + } + for( j=0; j= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + + + mseq1[0] += lgth1+lgth2; + *mseq1[0] = 0; + mseq2[0] += lgth1+lgth2; + *mseq2[0] = 0; + + + iin = lgth1; jin = lgth2; + limk = lgth1+lgth2 + 1; + for( k=0; k 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--mseq1[0] = seq1[0][ifi+l]; + *--mseq2[0] = *gap; + k++; + } + l= jin - jfi; + while( --l ) + { + *--mseq1[0] = *gap; + *--mseq2[0] = seq2[0][jfi+l]; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--mseq1[0] = seq1[0][ifi]; + *--mseq2[0] = seq2[0][jfi]; + k++; + iin = ifi; jin = jfi; + } + return( 0.0 ); +} + + +float G__align11( char **seq1, char **seq2, int alloclen, int headgp, int tailgp ) +/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */ +{ +// int k; + register int i, j; + int lasti; /* outgap == 0 -> lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm; /* int ?????? */ + float g; + float *currentw, *previousw; + float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + + if( seq1 == NULL ) + { + if( orlgth1 > 0 && orlgth2 > 0 ) + { + orlgth1 = 0; + orlgth2 = 0; + free( mseq1 ); + free( mseq2 ); + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + return( 0.0 ); + } + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + if( lgth1 <= 0 || lgth2 <= 0 ) + { + fprintf( stderr, "WARNING (g11): lgth1=%d, lgth2=%d\n", lgth1, lgth2 ); + } + +#if 1 + if( lgth1 == 0 && lgth2 == 0 ) + return( 0.0 ); + + if( lgth1 == 0 ) + { + seq1[0][lgth2] = 0; + while( lgth2 ) seq1[0][--lgth2] = '-'; +// fprintf( stderr, "seq1[0] = %s\n", seq1[0] ); + return( 0.0 ); + } + + if( lgth2 == 0 ) + { + seq2[0][lgth1] = 0; + while( lgth1 ) seq2[0][--lgth1] = '-'; +// fprintf( stderr, "seq2[0] = %s\n", seq2[0] ); + return( 0.0 ); + } +#endif + + + wm = 0.0; + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + +#if 0 + for( i=0; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+fpenalty) > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + if( (g=*prept) >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt + fpenalty) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + if( (g=*prept) >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + } + lastverticalw[i] = currentw[lgth2-1]; // lgth2==0 no toki error + } + + Atracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, ijp, tailgp ); + + resultlen = strlen( mseq1[0] ); + if( alloclen < resultlen || resultlen > N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); +#if 0 + fprintf( stderr, "\n" ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); + fprintf( stderr, "wm = %f\n", wm ); +#endif + + return( wm ); +} + +float G__align11_noalign( int scoremtx[0x80][0x80], int penal, int penal_ex, char **seq1, char **seq2, int alloclen ) +/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */ +{ +// int k; + register int i, j; + int lasti; /* outgap == 0 -> lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; +// int resultlen; + float wm; /* int ?????? */ + float g; + float *currentw, *previousw; + float fpenalty = (float)penal; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penal_ex; +#endif +#if 1 + float *wtmp; + float *mjpt, *prept, *curpt; +// int *mpjpt; +#endif + static TLS float mi, *m; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + + if( seq1 == NULL ) + { + if( orlgth1 > 0 && orlgth2 > 0 ) + { + orlgth1 = 0; + orlgth2 = 0; + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + free( m ); + + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + return( 0.0 ); + } + + wm = 0.0; + + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + + + if( lgth1 <= 0 || lgth2 <= 0 ) + { + fprintf( stderr, "WARNING (g11): lgth1=%d, lgth2=%d\n", lgth1, lgth2 ); + } + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + + + + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + + + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + + + + +#if 0 + for( i=0; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+fpenalty) > wm ) + { + wm = g; + } + if( (g=*prept) >= mi ) + { + mi = g; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt + fpenalty) > wm ) + { + wm = g; + } + if( (g=*prept) >= *mjpt ) + { + *mjpt = g; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + mjpt++; + prept++; + } + lastverticalw[i] = currentw[lgth2-1]; // lgth2==0 no toki error + } + +#if 0 + fprintf( stderr, "\n" ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); + fprintf( stderr, "wm = %f\n", wm ); +#endif + + return( wm ); +} diff --git a/binaries/src/mafft/core/Halignmm.c b/binaries/src/mafft/core/Halignmm.c new file mode 100644 index 0000000..bec9de2 --- /dev/null +++ b/binaries/src/mafft/core/Halignmm.c @@ -0,0 +1,1419 @@ +#include "mltaln.h" +#include "dp.h" + +#define MACHIGAI 0 +#define OUTGAP0TRY 1 +#define DEBUG 0 +#define XXXXXXX 0 +#define USE_PENALTY_EX 0 +#define FASTMATCHCALC 1 + +static TLS float **impmtx = NULL; + +#if 0 // by D.Mathog +static float countnocountxx( Gappat *pat1, float diaf1, Gappat *pat2, int offset1, int offset2 ) +{ +// return( 0.0 ); + float gclose; + float gmatch; + Gappat *pat1bk = pat1; + Gappat *pat2bk = pat2; + + gmatch = 0.0; + for( pat2=pat2bk+1; pat2->len != 0; pat2++ ) // excl. len=0 + { + if( pat2->len + offset2 == offset1 ) + { + gmatch = diaf1 * pat2->freq; + } + } + for( pat1=pat1bk+1; pat1->len != 0; pat1++ ) // excl. len=0 + { + for( pat2=pat2bk+1; pat2->len != 0; pat2++ ) // excl. len=0 + { + if( pat1->len + offset1 == pat2->len + offset2 ) + { + gmatch += pat1->freq * pat2->freq; +// if( r ) fprintf( stderr, "match1!!, len=%d, gmatch=%f * %f\n", pat2->len, pat1->freq, pat2->freq ); + } + } + } + return( gmatch ); +} +#endif + +static float countnocountmatchx( Gappat *pat1, Gappat *pat2, int offset1, int offset2, int r ) +{ + Gappat *pat1bk = pat1; + Gappat *pat2bk = pat2; + float val = 0.0; + // pat1[][0] ha total gap. + for( pat1=pat1bk+1; pat1->len != 0; pat1++ ) + { + for( pat2=pat2bk+1; pat2->len != 0; pat2++ ) + { + if( pat1->len + offset1 == pat2->len + offset2 ) + { + val += pat1->freq * pat2->freq; + if( r ) fprintf( stderr, "y %d-%d, len=%d,%d, val = %f\n", (int)(pat1-pat1bk), (int)(pat2-pat2bk), pat1->len, pat2->len, val ); // 070405 +// if( r ) fprintf( stderr, "y %d-%d, len=%d,%d, val = %f\n", pat1-pat1bk, pat2-pat2bk, pat1->len, pat2->len, val ); + } + } + } + if( r ) fprintf( stderr, "nocountmatch=%f\n", val ); + return( val ); +} + +#if 0 // by D.Mathog +static float countnocountmatch( Gappat *pat1, Gappat *pat2, int r ) +{ +// return( 0.0 ); + Gappat *pat1bk = pat1; + Gappat *pat2bk = pat2; + float val = 0.0; + // pat1[][0] ha total gap. + for( pat1=pat1bk+1; pat1->len != 0; pat1++ ) + { +// if( r ) fprintf( stderr, "b %d-%d, len=%d,%d\n", pat1-pat1bk, pat2-pat2bk, pat1->len, pat2->len ); + for( pat2=pat2bk+1; pat2->len != 0; pat2++ ) + { + if( pat1->len == pat2->len ) + { +// if( r ) fprintf( stderr, " x%d-%d, len=%d,%d\n", pat1-pat1bk, pat2-pat2bk, pat1->len, pat2->len ); + val += pat1->freq * pat2->freq; +// if( r ) fprintf( stderr, "y %d-%d, val = %f\n", pat1-pat1bk, pat2-pat2bk,val ); +// if( r ) fprintf( stderr, "z tsugi, %d-%d, len=%d,%d\n", pat1-pat1bk+1, pat2-pat2bk+1, (pat1+1)->len, (pat2+1)->len ); + } +// if( r ) fprintf( stderr, "a %d-%d, len=%d,%d\n", pat1-pat1bk, pat2-pat2bk, pat1->len, pat2->len ); + } + } +// fprintf( stderr, "nocountmatch=%f\n", val ); + return( val ); +} +#endif + +static float countnocountx( Gappat *pat1, float diaf1, Gappat *pat2, int offset1, int r ) +{ +// return( 0.0 ); + float gmatch; + Gappat *pat1bk = pat1; + Gappat *pat2bk = pat2; + + gmatch = 0.0; + for( pat2=pat2bk+1; pat2->len != 0; pat2++ ) // excl. len=0 + { + if( pat2->len == offset1 ) + { + gmatch = diaf1 * pat2->freq; +// if( r ) fprintf( stderr, "match0!!, len=%d, gmatch=%f * %f\n", pat2->len, diaf1, pat2->freq ); + } + } + for( pat1=pat1bk+1; pat1->len != 0; pat1++ ) // excl. len=0 + { + for( pat2=pat2bk+1; pat2->len != 0; pat2++ ) // excl. len=0 + { + if( pat1->len + offset1 == pat2->len ) + { + gmatch += pat1->freq * pat2->freq; +// if( r ) fprintf( stderr, "match1!!, len=%d, gmatch=%f * %f\n", pat2->len, pat1->freq, pat2->freq ); + } + } + } + return( gmatch ); +} + +#if 0 // by D.Mathog +static float countnocount( Gappat *pat1, Gappat *pat2, int offset1, int offset2 ) //osoi +{ +// return( 0.0 ); + Gappat *pat1bk = pat1; + Gappat *pat2bk = pat2; + float val = 0.0; + // pat1[][0] ha total gap. + for( pat1=pat1bk+1; pat1->len != -1; pat1++ ) + { + for( pat2=pat2bk+1; pat2->len != -1; pat2++ ) + { + if( pat1->len+offset1 == pat2->len+offset2 ) + { + val += pat1->freq * pat2->freq; + } + } + } +// fprintf( stderr, "nocount=%f\n", val ); + return( val ); +} +#endif + + + +#if 1 // tditeration +float imp_match_out_scH( int i1, int j1 ) +{ +// fprintf( stderr, "imp+match = %f\n", impmtx[i1][j1] * fastathreshold ); +// fprintf( stderr, "val = %f\n", impmtx[i1][j1] ); + return( impmtx[i1][j1] ); +} +#endif + +static void imp_match_out_veadH( float *imp, int i1, int lgth2 ) +{ +#if FASTMATCHCALC + float *pt = impmtx[i1]; + while( lgth2-- ) + *imp++ += *pt++; +#else + int j; + float *pt = impmtx[i1]; + for( j=0; jstart1 ); +// fprintf( stderr, "end1 = %d\n", tmpptr->end1 ); +// fprintf( stderr, "i = %d, seq1 = \n%s\n", i, seq1[i] ); +// fprintf( stderr, "j = %d, seq2 = \n%s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start1 ) break; + } + start1 = pt - seq1[i] - 1; + + if( tmpptr->start1 == tmpptr->end1 ) end1 = start1; + else + { +#if MACHIGAI + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( tmpint == tmpptr->end1 ) break; + if( *pt++ != '-' ) tmpint++; + } + end1 = pt - seq1[i] - 0; +#else + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end1 ) break; + } + end1 = pt - seq1[i] - 1; +#endif + } + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start2 ) break; + } + start2 = pt - seq2[j] - 1; + if( tmpptr->start2 == tmpptr->end2 ) end2 = start2; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end2 ) break; + if( *pt++ != '-' ) tmpint++; + } + end2 = pt - seq2[j] - 0; +#else + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end2 ) break; + } + end2 = pt - seq2[j] - 1; +#endif + } +// fprintf( stderr, "start1 = %d (%c), end1 = %d (%c), start2 = %d (%c), end2 = %d (%c)\n", start1, seq1[i][start1], end1, seq1[i][end1], start2, seq2[j][start2], end2, seq2[j][end2] ); +// fprintf( stderr, "step 0\n" ); + if( end1 - start1 != end2 - start2 ) + { +// fprintf( stderr, "CHUUI!!, start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + } + +#if 1 + k1 = start1; k2 = start2; + pt1 = seq1[i] + k1; + pt2 = seq2[j] + k2; + while( *pt1 && *pt2 ) + { + if( *pt1 != '-' && *pt2 != '-' ) + { +// ½Å¤ß¤òÆó½Å¤Ë¤«¤±¤Ê¤¤¤è¤¦¤ËÃí°Õ¤·¤Æ²¼¤µ¤¤¡£ +// impmtx[k1][k2] += tmpptr->wimportance * fastathreshold; +// impmtx[k1][k2] += tmpptr->importance * effij; + impmtx[k1][k2] += tmpptr->fimportance * effij; +// fprintf( stderr, "#### impmtx[k1][k2] = %f, tmpptr->fimportance=%f, effij=%f\n", impmtx[k1][k2], tmpptr->fimportance, effij ); +// fprintf( stderr, "mark, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); +// fprintf( stderr, "%d (%c) - %d (%c) - %f\n", k1, *pt1, k2, *pt2, tmpptr->fimportance * effij ); + k1++; k2++; + pt1++; pt2++; + } + else if( *pt1 != '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k2++; pt2++; + } + else if( *pt1 == '-' && *pt2 != '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + } + else if( *pt1 == '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + k2++; pt2++; + } + if( k1 > end1 || k2 > end2 ) break; + } +#else + while( k1 <= end1 && k2 <= end2 ) + { + fprintf( stderr, "k1,k2=%d,%d - ", k1, k2 ); + if( !nocount1[k1] && !nocount2[k2] ) + { + impmtx[k1][k2] += tmpptr->wimportance * eff1[i] * eff2[j] * fastathreshold; + fprintf( stderr, "marked\n" ); + } + else + fprintf( stderr, "no count\n" ); + k1++; k2++; + } +#endif + tmpptr = tmpptr->next; + } + } + } +#if 0 + if( clus1 == 1 && clus2 == 6 ) + { + fprintf( stderr, "\n" ); + fprintf( stderr, "seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "seq2[0] = %s\n", seq2[0] ); + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2-1 ) + *matchpt += scarr[*cpmxpdnpt++] * *cpmxpdpt++; + matchpt++; + } + } +#else + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; +// simple + if( initialize ) + { + int count = 0; + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} + +static void Atracking_localhom( float *impwmpt, float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp, int icyc, int jcyc ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k; + float wm; + char *gaptable1, *gt1bk; + char *gaptable2, *gt2bk; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + gt1bk = AllocateCharVec( lgth1+lgth2+1 ); + gt2bk = AllocateCharVec( lgth1+lgth2+1 ); + +#if 0 + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin == lgth1 || jin == lgth2 ) + ; + else + { + *impwmpt += imp_match_out_scH( iin, jin ); + +// fprintf( stderr, "impwm = %f (iin=%d, jin=%d) seq1=%c, seq2=%c\n", *impwmpt, iin, jin, seq1[0][iin], seq2[0][jin] ); + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +// float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS Gappat **gappat1; + static TLS Gappat **gappat2; + static TLS float *digf1; + static TLS float *digf2; + static TLS float *diaf1; + static TLS float *diaf2; + static TLS float *gapz1; + static TLS float *gapz2; + static TLS float *gapf1; + static TLS float *gapf2; + static TLS float *ogcp1g; + static TLS float *ogcp2g; + static TLS float *fgcp1g; + static TLS float *fgcp2g; + static TLS float *ogcp1; + static TLS float *ogcp2; + static TLS float *fgcp1; + static TLS float *fgcp2; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float fpenalty = (float)penalty; + float tmppenal; + float cumpenal; + float *fgcp2pt; + float *ogcp2pt; + float fgcp1va; + float ogcp1va; + int maegap; + + + +#if 0 + fprintf( stderr, "#### eff in SA+++align\n" ); + fprintf( stderr, "#### seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "#### strlen( seq1[0] ) = %d\n", strlen( seq1[0] ) ); + for( i=0; i orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + free( gappat1 ); + free( gappat2 ); + FreeFloatVec( digf1 ); + FreeFloatVec( digf2 ); + FreeFloatVec( diaf1 ); + FreeFloatVec( diaf2 ); + FreeFloatVec( gapz1 ); + FreeFloatVec( gapz2 ); + FreeFloatVec( gapf1 ); + FreeFloatVec( gapf2 ); + FreeFloatVec( ogcp1 ); + FreeFloatVec( ogcp2 ); + FreeFloatVec( fgcp1 ); + FreeFloatVec( fgcp2 ); + FreeFloatVec( ogcp1g ); + FreeFloatVec( ogcp2g ); + FreeFloatVec( fgcp1g ); + FreeFloatVec( fgcp2g ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + digf1 = AllocateFloatVec( ll1+2 ); + digf2 = AllocateFloatVec( ll2+2 ); + diaf1 = AllocateFloatVec( ll1+2 ); + diaf2 = AllocateFloatVec( ll2+2 ); + gappat1 = (Gappat **)calloc( ll1+2, sizeof( Gappat * ) ); + gappat2 = (Gappat **)calloc( ll2+2, sizeof( Gappat * ) ); + gapz1 = AllocateFloatVec( ll1+2 ); + gapz2 = AllocateFloatVec( ll2+2 ); + gapf1 = AllocateFloatVec( ll1+2 ); + gapf2 = AllocateFloatVec( ll2+2 ); + ogcp1 = AllocateFloatVec( ll1+2 ); + ogcp2 = AllocateFloatVec( ll2+2 ); + fgcp1 = AllocateFloatVec( ll1+2 ); + fgcp2 = AllocateFloatVec( ll2+2 ); + ogcp1g = AllocateFloatVec( ll1+2 ); + ogcp2g = AllocateFloatVec( ll2+2 ); + fgcp1g = AllocateFloatVec( ll1+2 ); + fgcp2g = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 27 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + +#if 0 + { + float t = 0.0; + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + if( outgap == 1 ) + { +// if( g ) fprintf( stderr, "init-match penal1=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); +// initverticalw[0] += g; +// currentw[0] += g; + +// if( g ) fprintf( stderr, "init-match penal2=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); +// initverticalw[0] += g; +// currentw[0] += g; + + for( i=1; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif +// tmppenal = fpenalty; + tmppenal = diaf2[j] * ( 1.0 - gapf1[i] ) * fpenalty; + if( gappat2[j][0].freq ) + { + tmppenal += ( gappat2[j][0].freq ) * ( 1.0 - gapf1[i] ) * fpenalty; +// tmppenal -= ( countnocountx( gappat1[i], diaf1[i], gappat2[j], j-mpi-1, 0 ) ) * fpenalty; + maegap = ijp[i-1][mpi]; + maegap = 0; + if( maegap == 0 ) + { + tmppenal -= ( countnocountx( gappat1[i], diaf1[i], gappat2[j], j-mpi-1, 0 ) ) * fpenalty; + } +#if 0 // attahouga yoi hazu + else if( maegap < 0 ) // i jump + { + maegap = -maegap; + tmppenal -= ( countnocountxx( gappat1[i], diaf1[i], gappat2[j], j-mpi-1+maegap, 0 ) ) * fpenalty; + } + else // j jump + { + tmppenal -= ( countnocountxx( gappat1[i], diaf1[i], gappat2[j], j-mpi-1, maegap ) ) * fpenalty; + } +#endif + } + if( (g=mi+tmppenal) > wm ) + { +// if( seq1[0][i] == 'A' && seq2[0][j] == 'A' ) fprintf( stderr, "jump i start=%f (i,j=%d,%d, *ijppt=%d, digf2[j]=%f, diaf2[j]=%f), %c-%c\n", g-mi, i, j, -(j-mpi), digf2[j], diaf2[j], seq1[0][i], seq2[0][j] ); + wm = g; + *ijppt = -( j - mpi ); + } + if( (g=*prept) >= mi ) + { +// fprintf( stderr, "jump i end=%f, %c-%c\n", g-*prept, seq1[0][i-1], seq2[0][j-1] ); + mi = g; + mpi = j-1; + } + else if( j != 1 ) + { +// mi += ( ogcp2g[j-0] + fgcp2g[j] ) * fpenalty * 0.5; +// fprintf( stderr, "%c%c/%c%c exp, og=%f,fg=%f\n", '=', '=', seq2[0][j-1], seq2[0][j], ogcp2g[j-0] * fpenalty*0.5, fgcp2g[j] * fpenalty*0.5 ); + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + +// tmppenal = fpenalty; + tmppenal = diaf1[i] * ( 1.0 - gapf2[j] ) * fpenalty; + if( gappat1[i][0].freq ) + { + tmppenal += ( gappat1[i][0].freq ) * ( 1.0 - gapf2[j] ) * fpenalty; +// tmppenal -= ( countnocountx( gappat2[j], diaf2[j], gappat1[i], i-*mpjpt-1, 1 ) ) * fpenalty; + maegap = ijp[*mpjpt][j-1]; + if( maegap == 0 ) + { + tmppenal -= ( countnocountx( gappat2[j], diaf2[j], gappat1[i], i-*mpjpt-1, 1 ) ) * fpenalty; + } +#if 0 // attahouga yoi hazu + else if( maegap > 0 ) // j jump + { + tmppenal -= ( countnocountxx( gappat2[j], diaf2[j], gappat1[i], i-*mpjpt-1+maegap, 0 ) ) * fpenalty; + } + else // i jump + { + maegap = -maegap; + tmppenal -= ( countnocountxx( gappat2[j], diaf2[j], gappat1[i], i-*mpjpt-1, maegap ) ) * fpenalty; + } +#endif + } + if( (g=*mjpt+tmppenal) > wm ) + { +// if( seq1[0][i] == 'S' && seq2[0][j] == 'S' ) fprintf( stderr, "jump j start at %d, %d, g=%f, %c-%c\n", i, j, g-*mjpt, seq1[0][i], seq2[0][j] ); + wm = g; + *ijppt = +( i - *mpjpt ); + } + if( (g=*prept) >= *mjpt ) + { +// fprintf( stderr, "jump j end=%f, %c-%c\n", g-*prept, seq1[0][i-1], seq2[0][j-1] ); + *mjpt = g; + *mpjpt = i-1; + } + else if( i != 1 ) + { +// m[j] += ( ogcp1g[i-0] + fgcp1g[i] ) * fpenalty * 0.5; +// fprintf( stderr, "%c%c/%c%c exp, og=%f,fg=%f\n", seq1[0][i-1], seq1[0][i], '=', '=', ogcp1g[i-0] * fpenalty*0.5, fgcp1g[i] * fpenalty*0.5 ); + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} +#endif + +static float Ltracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + int **ijp, int *off1pt, int *off2pt, int endi, int endj ) +{ + int i, j, l, iin, jin, lgth1, lgth2, k, limk; + int ifi=0, jfi=0; // by D.Mathog, a guess +// char gap[] = "-"; + char *gap; + gap = newgapstr; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--mseq1[0] = seq1[0][ifi+l]; + *--mseq2[0] = *gap; + k++; + } + l= jin - jfi; + while( --l ) + { + *--mseq1[0] = *gap; + *--mseq2[0] = seq2[0][jfi+l]; + k++; + } + + if( iin <= 0 || jin <= 0 ) break; + *--mseq1[0] = seq1[0][ifi]; + *--mseq2[0] = seq2[0][jfi]; + if( ijp[ifi][jfi] == localstop ) break; + k++; + iin = ifi; jin = jfi; + } + if( ifi == -1 ) *off1pt = 0; else *off1pt = ifi; + if( jfi == -1 ) *off2pt = 0; else *off2pt = jfi; + +// fprintf( stderr, "ifn = %d, jfn = %d\n", ifi, jfi ); + + + return( 0.0 ); +} + + +float L__align11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt ) +/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */ +{ +// int k; + register int i, j; + int lasti, lastj; /* outgap == 0 -> lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; +// static TLS int **intwork; +// static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float maxwm; + int endali = 0, endalj = 0; // by D.Mathog, a guess +// int endali, endalj; + float localthr = -offset; + float localthr2 = -offset; +// float localthr = 100; +// float localthr2 = 100; + float fpenalty = (float)penalty; + float fpenalty_ex = (float)penalty_ex; + + if( seq1 == NULL ) + { + if( orlgth1 > 0 && orlgth2 > 0 ) + { + orlgth1 = 0; + orlgth2 = 0; + free( mseq1 ); + free( mseq2 ); + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + } + return( 0.0 ); + } + + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + + +// FreeFloatMtx( floatwork ); +// FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + +// floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); +// intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + +#if 0 + for( i=0; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+fpenalty) > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + if( *prept > mi ) + { + mi = *prept; + mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt+fpenalty) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + if( *prept > *mjpt ) + { + *mjpt = *prept; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + *mjpt += fpenalty_ex; +#endif + + if( maxwm < wm ) + { + maxwm = wm; + endali = i; + endalj = j; + } +#if 1 + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + *ijppt = localstop; + wm = localthr2; + } +#endif +#if 0 + fprintf( stderr, "%5.0f ", *curpt ); +#endif +#if DEBUG2 + fprintf( stderr, "%5.0f ", wm ); +// fprintf( stderr, "%c-%c *ijppt = %d, localstop = %d\n", seq1[0][i], seq2[0][j], *ijppt, localstop ); +#endif + + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + } +#if DEBUG2 + fprintf( stderr, "\n" ); +#endif + + lastverticalw[i] = currentw[lgth2-1]; + } + + +#if 0 + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, "endali = %d\n", endali ); + fprintf( stderr, "endalj = %d\n", endalj ); +#endif + + if( ijp[endali][endalj] == localstop ) + { + strcpy( seq1[0], "" ); + strcpy( seq2[0], "" ); + *off1pt = *off2pt = 0; + return( 0.0 ); + } + + Ltracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, ijp, off1pt, off2pt, endali, endalj ); + + + resultlen = strlen( mseq1[0] ); + if( alloclen < resultlen || resultlen > N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); + +#if 0 + fprintf( stderr, "wm=%f\n", wm ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); + + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, " wm = %f\n", wm ); +#endif + + return( maxwm ); +} + diff --git a/binaries/src/mafft/core/Lalign11.c.fast b/binaries/src/mafft/core/Lalign11.c.fast new file mode 100644 index 0000000..e481626 --- /dev/null +++ b/binaries/src/mafft/core/Lalign11.c.fast @@ -0,0 +1,887 @@ +#include "mltaln.h" +#include "dp.h" + +#define DEBUG 0 +#define DEBUG2 0 +#define XXXXXXX 0 +#define USE_PENALTY_EX 1 + +static short localstop; + +#if 1 +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + char *seq2 = s2[0]; + int *intptr; + + intptr = amino_dis[s1[0][i1]]; + while( lgth2-- ) + *match++ = intptr[*seq2++]; +} +#else +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + int j; + + for( j=0; j -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} + +static float Ltracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + short **ijp, int *off1pt, int *off2pt, int endi, int endj ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, limk; + char gap[] = "-"; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--mseq1[0] = seq1[0][ifi+l]; + *--mseq2[0] = *gap; + k++; + } + l= jin - jfi; + while( --l ) + { + *--mseq1[0] = *gap; + *--mseq2[0] = seq2[0][jfi+l]; + k++; + } + + if( iin <= 0 || jin <= 0 ) break; + *--mseq1[0] = seq1[0][ifi]; + *--mseq2[0] = seq2[0][jfi]; + if( ijp[ifi][jfi] == localstop ) break; + k++; + iin = ifi; jin = jfi; + } + if( ifi == -1 ) *off1pt = 0; else *off1pt = ifi; + if( jfi == -1 ) *off2pt = 0; else *off2pt = jfi; + +// fprintf( stderr, "ifn = %d, jfn = %d\n", ifi, jfi ); + + + return( 0.0 ); +} + + +float L__align11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt ) +/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */ +{ +// int k; + register int i, j; + int lasti, lastj; /* outgap == 0 -> lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +#if 1 + float *wtmp; + short *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static float mi, *m; + static short **ijp; + static int mpi, *mp; + static float *w1, *w2; + static float *match; + static float *initverticalw; /* kufuu sureba iranai */ + static float *lastverticalw; /* kufuu sureba iranai */ + static char **mseq1; + static char **mseq2; + static char **mseq; + static float **cpmx1; + static float **cpmx2; + static int **intwork; + static float **floatwork; + static int orlgth1 = 0, orlgth2 = 0; + float maxwm; + int endali, endalj; + float localthr = -offset; + float localthr2 = -offset; +// float localthr = 100; +// float localthr2 = 100; + float fpenalty = (float)penalty; + float fpenalty_ex = (float)penalty_ex; + + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeShortMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateShortMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + +#if 0 + for( i=0; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+fpenalty) > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + if( *prept > mi ) + { + mi = *prept; + mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt+fpenalty) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + if( *prept > *mjpt ) + { + *mjpt = *prept; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + *mjpt += fpenalty_ex; +#endif + + if( maxwm < wm ) + { + maxwm = wm; + endali = i; + endalj = j; + } +#if 1 + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + *ijppt = localstop; + wm = localthr2; + } +#endif +#if 0 + fprintf( stderr, "%5.0f ", *curpt ); +#endif +#if DEBUG2 + fprintf( stderr, "%5.0f ", wm ); +// fprintf( stderr, "%c-%c *ijppt = %d, localstop = %d\n", seq1[0][i], seq2[0][j], *ijppt, localstop ); +#endif + + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + } +#if DEBUG2 + fprintf( stderr, "\n" ); +#endif + + lastverticalw[i] = currentw[lgth2-1]; + } + + +#if DEBUG2 + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, "endali = %d\n", endali ); + fprintf( stderr, "endalj = %d\n", endalj ); +#endif + + Ltracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, cpmx1, cpmx2, ijp, off1pt, off2pt, endali, endalj ); + + + resultlen = strlen( mseq1[0] ); + if( alloclen < resultlen || resultlen > N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); + +#if 0 + fprintf( stderr, "wm=%f\n", wm ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); +#endif + + + return( wm ); +} + +float L__align11_noalign( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt ) +/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */ +{ +// int k; + register int i, j; + int lasti, lastj; /* outgap == 0 -> lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +#if 1 + float *wtmp; + short *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static float mi, *m; + static short **ijp; + static int mpi, *mp; + static float *w1, *w2; + static float *match; + static float *initverticalw; /* kufuu sureba iranai */ + static float *lastverticalw; /* kufuu sureba iranai */ + static char **mseq1; + static char **mseq2; + static char **mseq; + static float **cpmx1; + static float **cpmx2; + static int **intwork; + static float **floatwork; + static int orlgth1 = 0, orlgth2 = 0; + float maxwm; + int endali, endalj; + float localthr = -offset; + float localthr2 = -offset; +// float localthr = 100; +// float localthr2 = 100; + float fpenalty = (float)penalty; + float fpenalty_ex = (float)penalty_ex; + + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + +#if 0 + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeShortMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateShortMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } +#endif +// ijp = commonIP; + + +#if 0 + for( i=0; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+fpenalty) > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + if( *prept > mi ) + { + mi = *prept; +// mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt+fpenalty) > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + if( *prept > *mjpt ) + { + *mjpt = *prept; +// *mpjpt = i-1; + } +#if USE_PENALTY_EX + *mjpt += fpenalty_ex; +#endif + + if( maxwm < wm ) + { + maxwm = wm; + endali = i; + endalj = j; + } +#if 1 + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); +// *ijppt = localstop; + wm = localthr2; + } +#endif +#if 0 + fprintf( stderr, "%5.0f ", *curpt ); +#endif +#if DEBUG2 + fprintf( stderr, "%5.0f ", wm ); +// fprintf( stderr, "%c-%c *ijppt = %d, localstop = %d\n", seq1[0][i], seq2[0][j], *ijppt, localstop ); +#endif + + *curpt++ += wm; +// ijppt++; + mjpt++; + prept++; +// mpjpt++; + } +#if DEBUG2 + fprintf( stderr, "\n" ); +#endif + + lastverticalw[i] = currentw[lgth2-1]; + } + + +#if DEBUG2 + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, "endali = %d\n", endali ); + fprintf( stderr, "endalj = %d\n", endalj ); +#endif + +#if 0 + + Ltracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, cpmx1, cpmx2, ijp, off1pt, off2pt, endali, endalj ); + + + resultlen = strlen( mseq1[0] ); + if( alloclen < resultlen || resultlen > N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); + + fprintf( stderr, "wm=%f\n", wm ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); +#endif + + + return( wm ); +} diff --git a/binaries/src/mafft/core/Lalign11.c_nostatic b/binaries/src/mafft/core/Lalign11.c_nostatic new file mode 100644 index 0000000..134a46a --- /dev/null +++ b/binaries/src/mafft/core/Lalign11.c_nostatic @@ -0,0 +1,522 @@ +#include "mltaln.h" + +#define DEBUG 0 +#define DEBUG2 0 +#define XXXXXXX 0 +#define USE_PENALTY_EX 1 + + +#if 1 +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + char *seq2 = s2[0]; + int *intptr; + + intptr = amino_dis[(int)s1[0][i1]]; + while( lgth2-- ) + *match++ = intptr[(int)*seq2++]; +} +#else +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + int j; + + for( j=0; j -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} +#endif + +static float Ltracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + int **ijp, int *off1pt, int *off2pt, int endi, int endj, int localstop ) +{ + int i, j, l, iin, jin, lgth1, lgth2, k, limk; + int ifi=0, jfi=0; // by D.Mathog, a guess + char gap[] = "-"; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--mseq1[0] = seq1[0][ifi+l]; + *--mseq2[0] = *gap; + k++; + } + l= jin - jfi; + while( --l ) + { + *--mseq1[0] = *gap; + *--mseq2[0] = seq2[0][jfi+l]; + k++; + } + + if( iin <= 0 || jin <= 0 ) break; + *--mseq1[0] = seq1[0][ifi]; + *--mseq2[0] = seq2[0][jfi]; + if( ijp[ifi][jfi] == localstop ) break; + k++; + iin = ifi; jin = jfi; + } + if( ifi == -1 ) *off1pt = 0; else *off1pt = ifi; + if( jfi == -1 ) *off2pt = 0; else *off2pt = jfi; + +// fprintf( stderr, "ifn = %d, jfn = %d\n", ifi, jfi ); + + + return( 0.0 ); +} + + +float L__align11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt ) +/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */ +{ +// int k; + register int i, j; + int lasti, lastj; /* outgap == 0 -> lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + float mi, *m; + int **ijp; + int mpi, *mp; + float *w1, *w2; + float *match; + float *initverticalw; /* kufuu sureba iranai */ + float *lastverticalw; /* kufuu sureba iranai */ + char **mseq1; + char **mseq2; + char **mseq; +// int **intwork; +// float **floatwork; + float maxwm; + int endali = 0, endalj = 0; // by D.Mathog, a guess +// int endali, endalj; + float localthr = -offset; + float localthr2 = -offset; +// float localthr = 100; +// float localthr2 = 100; + float fpenalty = (float)penalty; + float fpenalty_ex = (float)penalty_ex; + int **localIP = NULL; + int localAlloc1 = 0, localAlloc2 = 0; + int localstop; // 060910 + + + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + { + int ll1, ll2; + + + ll1 = (int)(1.3*lgth1) + 100; + ll2 = (int)(1.3*lgth2) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + +// floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); +// intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + + { + int ll1, ll2; + + + ll1 = (int)(1.3*lgth1) + 100; + ll2 = (int)(1.3*lgth2) + 100; + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + localIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + localAlloc1 = ll1; + localAlloc2 = ll2; + } + ijp = localIP; + + +#if 0 + for( i=0; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+fpenalty) > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + if( *prept > mi ) + { + mi = *prept; + mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt+fpenalty) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + if( *prept > *mjpt ) + { + *mjpt = *prept; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + *mjpt += fpenalty_ex; +#endif + + if( maxwm < wm ) + { + maxwm = wm; + endali = i; + endalj = j; + } +#if 1 + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + *ijppt = localstop; + wm = localthr2; + } +#endif +#if 0 + fprintf( stderr, "%5.0f ", *curpt ); +#endif +#if DEBUG2 + fprintf( stderr, "%5.0f ", wm ); +// fprintf( stderr, "%c-%c *ijppt = %d, localstop = %d\n", seq1[0][i], seq2[0][j], *ijppt, localstop ); +#endif + + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + } +#if DEBUG2 + fprintf( stderr, "\n" ); +#endif + + lastverticalw[i] = currentw[lgth2-1]; + } + + +#if 0 + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, "endali = %d\n", endali ); + fprintf( stderr, "endalj = %d\n", endalj ); +#endif + + if( ijp[endali][endalj] == localstop ) + { + strcpy( seq1[0], "" ); + strcpy( seq2[0], "" ); + *off1pt = *off2pt = 0; + return( 0.0 ); + } + + Ltracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, ijp, off1pt, off2pt, endali, endalj, localstop ); + + + resultlen = strlen( mseq1[0] ); + if( alloclen < resultlen || resultlen > N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); + +#if 0 + fprintf( stderr, "wm=%f\n", wm ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); + + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, " wm = %f\n", wm ); +#endif + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + + +// FreeFloatMtx( floatwork ); +// FreeIntMtx( intwork ); + + FreeIntMtx( localIP ); + + return( maxwm ); +} + diff --git a/binaries/src/mafft/core/Lalignmm.c b/binaries/src/mafft/core/Lalignmm.c new file mode 100644 index 0000000..19f26ec --- /dev/null +++ b/binaries/src/mafft/core/Lalignmm.c @@ -0,0 +1,2685 @@ +#include "mltaln.h" +#include "dp.h" + +#define MEMSAVE 1 + +#define DEBUG 0 +#define USE_PENALTY_EX 0 +#define STOREWM 1 + +#define DPTANNI 10 + +#define LOCAL 0 + +static int reccycle = 0; + +static float localthr; + +static void match_ribosum( float *match, float **cpmx1, float **cpmx2, int i1, int lgth2, float **floatwork, int **intwork, int initialize ) +{ + int j, k, l; + float scarr[38]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; + int count = 0; + float *matchpt; + float **cpmxpdpt; + int **cpmxpdnpt; + int cpkd; + + if( initialize ) + { + for( j=0; j -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#else + matchpt = match; + cpmxpdnpt = cpmxpdn; + cpmxpdpt = cpmxpd; + while( lgth2-- ) + { + *matchpt = 0.0; + for( k=0; (cpkd=(*cpmxpdnpt)[k])>-1; k++ ) + *matchpt += scarr[cpkd] * (*cpmxpdpt)[k]; + matchpt++; + cpmxpdnpt++; + cpmxpdpt++; + } +#endif +} + +static void match_calc( float *match, float **cpmx1, float **cpmx2, int i1, int lgth2, float **floatwork, int **intwork, int initialize ) +{ + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; + int count = 0; + float *matchpt; + float **cpmxpdpt; + int **cpmxpdnpt; + int cpkd; + + if( initialize ) + { + for( j=0; j -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#else + matchpt = match; + cpmxpdnpt = cpmxpdn; + cpmxpdpt = cpmxpd; + while( lgth2-- ) + { + *matchpt = 0.0; + for( k=0; (cpkd=(*cpmxpdnpt)[k])>-1; k++ ) + *matchpt += scarr[cpkd] * (*cpmxpdpt)[k]; + matchpt++; + cpmxpdnpt++; + cpmxpdpt++; + } +#endif +} + +#if 0 +static void match_add( float *match, float **cpmx1, float **cpmx2, int i1, int lgth2, float **floatwork, int **intwork, int initialize ) +{ + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; + int count = 0; + float *matchpt; + float **cpmxpdpt; + int **cpmxpdnpt; + int cpkd; + + + if( initialize ) + { + for( j=0; j -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#else + matchpt = match; + cpmxpdnpt = cpmxpdn; + cpmxpdpt = cpmxpd; + while( lgth2-- ) + { +// *matchpt = 0.0; // add dakara + for( k=0; (cpkd=(*cpmxpdnpt)[k])>-1; k++ ) + *matchpt += scarr[cpkd] * (*cpmxpdpt)[k]; + matchpt++; + cpmxpdnpt++; + cpmxpdpt++; + } +#endif +} +#endif + +#if 0 +static float Atracking( + char **seq1, char **seq2, + char **mseq1, char **mseq2, + int **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char *gaptable1, *gt1bk; + char *gaptable2, *gt2bk; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + + gt1bk = AllocateCharVec( lgth1+lgth2+1 ); + gt2bk = AllocateCharVec( lgth1+lgth2+1 ); + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + + } + + for( i=0; i", wm ); +#endif + g = mi + fgcp2[j-1]; +// g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + g = *prept + ogcp2[j]; +// g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fgcp1[i-1]; +// g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + + g = *prept + ogcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif +#if LOCAL + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + wm = 0; + } +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + +// fprintf( stderr, "m[%d] = %f\n", j, m[j] ); + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; + +#if STOREWM + WMMTX2[i][lgth2] = m[lgth2-1]; +#endif + +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j] + fgcp2[lgth2-2]; +// m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + firstm = -9999999.9; + firstmp = lgth1-1; + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_ribosum( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// m[lgth2] = fgcp1[i]; +// WMMTX2[i][lgth2] += m[lgth2]; +// fprintf( stderr, "m[] = %f\n", m[lgth2] ); + + mi = previousw[lgth2-1] + fgcp2[lgth2-2]; +// mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + + g = mi + ogcp2[j+1]; +// g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + ijpi = i+1; + } + + g = *prept + fgcp2[j]; +// g = *prept; + if( g >= mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + ogcp1[i+1]; +// g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + ijpj = j+1; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); + g = *prept + fgcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; +// midm[j+1] += *mjpt + fpenalty; //?????? + midm[j+1] += *mjpt; //?????? + } + if( i == imid - 1 ) + { +// midn[j] += mi + fpenalty; //???? + midn[j] += mi; //???? + } +#if LOCAL + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + wm = 0; + } +#endif + +#if STOREWM + WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + WMMTX2[i][j] += *curpt; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } +// fprintf( stderr, "adding *mjpt (=%f) to WMMTX2[%d][%d]\n", *mjpt, i, j+1 ); + g = *prept + fgcp1[i]; + if( firstm < g ) + { + firstm = g; + firstmp = i + 1; + } +#if STOREWM +// WMMTX2[i][j+1] += firstm; +#endif + if( i == imid ) midm[j+1] += firstm; + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 0; +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + + +// fprintf( stderr, "### imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + jumpi = imid-1; + jumpj = jmid-1; + if( jmid > 0 && midn[jmid-1] > wm ) //060413 + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + wm = midn[jmid-1]; +// fprintf( stderr, "rejump (n)\n" ); + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + wm = midm[jmid]; +// fprintf( stderr, "rejump (m) jumpi=%d\n", jumpi ); + } + + +// fprintf( stderr, "--> imid=%d, jmid=%d\n", imid, jmid ); +// fprintf( stderr, "--> jumpi=%d, jumpj=%d\n", jumpi, jumpj ); +#if 0 + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j= lgth2 ) + { +// fprintf( stderr, "CHUI1!\n" ); + jumpi=imid-1; jmid=lgth2; + jumpj = lgth2-1; + } +#endif + else + { + imid = jumpforwi[jumpj]; + jmid = jumpforwj[jumpj]; + } +#if 0 + fprintf( stderr, "jumpi -> %d\n", jumpi ); + fprintf( stderr, "jumpj -> %d\n", jumpj ); + fprintf( stderr, "imid -> %d\n", imid ); + fprintf( stderr, "jmid -> %d\n", jmid ); +#endif + +#if STOREWM +// break; +#else + break; +#endif + } + } +#if 0 + jumpi=0; jumpj=0; + imid=lgth1-1; jmid=lgth2-1; + } +#endif + +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j amino_dis['a']['g'] -1 ) + fprintf( stdout, "%d %d %8.1f", i, j, WMMTX[i][j] ); + if( WMMTX[i][j] == maxwm ) + fprintf( stdout, "selected \n" ); + else + fprintf( stdout, "\n" ); + } + fprintf( stdout, "\n" ); + } +#endif + +#if 0 + + fprintf( stderr, "jumpbacki = \n" ); + for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + + return( value ); + +} +static float MSalignmm_rec( int icyc, int jcyc, double *eff1, double *eff2, char **seq1, char **seq2, float **cpmx1, float **cpmx2, int ist, int ien, int jst, int jen, int alloclen, char **mseq1, char **mseq2, int depth, float **gapinfo, float **map ) +/* score no keisan no sai motokaraaru gap no atukai ni mondai ga aru */ +{ + int alnlen; + float value = 0.0; + register int i, j; + char **aseq1, **aseq2; + int ll1, ll2, l, len; + int lasti, lastj, imid, jmid=0; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +#if USE_PENALTY_EX + float fpenalty_ex = (float)RNApenalty_ex; +#endif +// float fpenalty = (float)penalty; + float *wtmp; +// short *ijppt; + int *mpjpt; +// short **ijp; + int *mp; + int mpi; + float *mjpt, *prept, *curpt; + float mi; + float *m; + float *w1, *w2; +// float *match; + float *initverticalw; /* kufuu sureba iranai */ + float *lastverticalw; /* kufuu sureba iranai */ + int **intwork; + float **floatwork; +// short **shortmtx; +#if STOREWM + float **WMMTX; + float **WMMTX2; +#endif + float *midw; + float *midm; + float *midn; + int lgth1, lgth2; + float maxwm = 0.0; + int *jumpforwi; + int *jumpforwj; + int *jumpbacki; + int *jumpbackj; + int *jumpdummi; //muda + int *jumpdummj; //muda + int jumpi, jumpj = 0; + char *gaps; + int ijpi, ijpj; + float *ogcp1; + float *fgcp1; + float *ogcp2; + float *fgcp2; + float firstm; + int firstmp; +#if 0 + static char ttt1[50000]; + static char ttt2[50000]; +#endif + + localthr = -offset + 500; // 0? + + ogcp1 = gapinfo[0] + ist; + fgcp1 = gapinfo[1] + ist; + ogcp2 = gapinfo[2] + jst; + fgcp2 = gapinfo[3] + jst; + + depth++; + reccycle++; + + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +// if( lgth1 < 5 ) +// fprintf( stderr, "\nWARNING: lgth1 = %d\n", lgth1 ); +// if( lgth2 < 5 ) +// fprintf( stderr, "\nWARNING: lgth2 = %d\n", lgth2 ); +// + +#if 0 + fprintf( stderr, "==== MSalign (depth=%d, reccycle=%d), ist=%d, ien=%d, jst=%d, jen=%d\n", depth, reccycle, ist, ien, jst, jen ); + strncpy( ttt1, seq1[0]+ist, lgth1 ); + strncpy( ttt2, seq2[0]+jst, lgth2 ); + ttt1[lgth1] = 0; + ttt2[lgth2] = 0; + fprintf( stderr, "seq1 = %s\n", ttt1 ); + fprintf( stderr, "seq2 = %s\n", ttt2 ); +#endif + if( lgth2 <= 0 ) // lgth1 <= 0 ha? + { +// fprintf( stderr, "\n\n==== jimei\n\n" ); +// exit( 1 ); + for( i=0; i", wm ); +#endif + g = mi + fgcp2[j-1]; +// g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + g = *prept + ogcp2[j]; +// g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fgcp1[i-1]; +// g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + + g = *prept + ogcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif +#if LOCAL + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + wm = 0; + } +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + +// fprintf( stderr, "m[%d] = %f\n", j, m[j] ); + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; + +#if STOREWM + WMMTX2[i][lgth2] = m[lgth2-1]; +#endif + +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j] + fgcp2[lgth2-2]; +// m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + firstm = -9999999.9; + firstmp = lgth1-1; + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// m[lgth2] = fgcp1[i]; +// WMMTX2[i][lgth2] += m[lgth2]; +// fprintf( stderr, "m[] = %f\n", m[lgth2] ); + + mi = previousw[lgth2-1] + fgcp2[lgth2-2]; +// mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + + g = mi + ogcp2[j+1]; +// g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + ijpi = i+1; + } + + g = *prept + fgcp2[j]; +// g = *prept; + if( g >= mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + ogcp1[i+1]; +// g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + ijpj = j+1; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); + g = *prept + fgcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; +// midm[j+1] += *mjpt + fpenalty; //?????? + midm[j+1] += *mjpt; //?????? + } + if( i == imid - 1 ) + { +// midn[j] += mi + fpenalty; //???? + midn[j] += mi; //???? + } +#if LOCAL + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + wm = 0; + } +#endif + +#if STOREWM + WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + WMMTX2[i][j] += *curpt; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } +// fprintf( stderr, "adding *mjpt (=%f) to WMMTX2[%d][%d]\n", *mjpt, i, j+1 ); + g = *prept + fgcp1[i]; + if( firstm < g ) + { + firstm = g; + firstmp = i + 1; + } +#if STOREWM +// WMMTX2[i][j+1] += firstm; +#endif + if( i == imid ) midm[j+1] += firstm; + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 0; +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + + +// fprintf( stderr, "### imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + jumpi = imid-1; + jumpj = jmid-1; + if( jmid > 0 && midn[jmid-1] > wm ) //060413 + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + wm = midn[jmid-1]; +// fprintf( stderr, "rejump (n)\n" ); + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + wm = midm[jmid]; +// fprintf( stderr, "rejump (m) jumpi=%d\n", jumpi ); + } + + +// fprintf( stderr, "--> imid=%d, jmid=%d\n", imid, jmid ); +// fprintf( stderr, "--> jumpi=%d, jumpj=%d\n", jumpi, jumpj ); +#if 0 + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j= lgth2 ) + { +// fprintf( stderr, "CHUI1!\n" ); + jumpi=imid-1; jmid=lgth2; + jumpj = lgth2-1; + } +#endif + else + { + imid = jumpforwi[jumpj]; + jmid = jumpforwj[jumpj]; + } +#if 0 + fprintf( stderr, "jumpi -> %d\n", jumpi ); + fprintf( stderr, "jumpj -> %d\n", jumpj ); + fprintf( stderr, "imid -> %d\n", imid ); + fprintf( stderr, "jmid -> %d\n", jmid ); +#endif + +#if STOREWM +// break; +#else + break; +#endif + } + } +#if 0 + jumpi=0; jumpj=0; + imid=lgth1-1; jmid=lgth2-1; + } +#endif + +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j amino_dis['a']['g'] -1 ) + fprintf( stdout, "%d %d %8.1f", i, j, WMMTX[i][j] ); + if( WMMTX[i][j] == maxwm ) + fprintf( stdout, "selected \n" ); + else + fprintf( stdout, "\n" ); + } + fprintf( stdout, "\n" ); + } + exit( 1 ); +#endif + +#if 0 + + fprintf( stderr, "jumpbacki = \n" ); + for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + + return( value ); + +// fprintf( stderr, "==== calling myself (first)\n" ); + +#if 0 + fprintf( stderr, "seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "seq2[0] = %s\n", seq2[0] ); +#endif + value = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo, map ); +#if 0 + fprintf( stderr, "aseq1[0] = %s\n", aseq1[0] ); + fprintf( stderr, "aseq2[0] = %s\n", aseq2[0] ); +#endif +#if MEMSAVE +#else + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i 1 || maxwm - value > 1 ) + { + fprintf( stderr, "WARNING value = %f, but maxwm = %f\n", value, maxwm ); + for( i=0; i1-%d\n%s\n", i, mseq1[i] ); + fprintf( stderr, "%s\n", aseq1[i] ); + } + for( i=0; i2-%d\n%s\n", i, mseq2[i] ); + fprintf( stderr, "%s\n", aseq2[i] ); + } + +// exit( 1 ); + } + else + { + fprintf( stderr, "value = %.0f, maxwm = %.0f -> ok\n", value, maxwm ); + } +#endif + +#if MEMSAVE +#else + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo, map ); +#if DEBUG + fprintf( stderr, " seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, " seq2[0] = %s\n", seq2[0] ); + fprintf( stderr, "mseq1[0] = %s\n", mseq1[0] ); + fprintf( stderr, "mseq2[0] = %s\n", mseq2[0] ); +#endif + +// fprintf( stderr, "wm = %f\n", wm ); + +#if 0 + + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalign2m2m_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo, map ); +#if DEBUG + fprintf( stderr, " seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, " seq2[0] = %s\n", seq2[0] ); + fprintf( stderr, "mseq1[0] = %s\n", mseq1[0] ); + fprintf( stderr, "mseq2[0] = %s\n", mseq2[0] ); +#endif + +// fprintf( stderr, "wm = %f\n", wm ); + +#if 0 + + for( i=0; i0 ) + { + *--mseq1[0] = seq1[0][i+l--]; + *--mseq2[0] = *gap; + } + l= prevhitj - j - 1; + fprintf( stderr, "l=%d\n", l ); + while( l>0 ) + { + *--mseq1[0] = *gap; + *--mseq2[0] = seq2[0][j+l--]; + } + if( i < 0 || j < 0 ) return; + *--mseq1[0] = seq1[0][i]; + *--mseq2[0] = seq2[0][j]; + fprintf( stderr, "added %c to mseq1, mseq1 = %s \n", seq1[0][i], mseq1[0] ); + fprintf( stderr, "added %c to mseq2, mseq2 = %s \n", seq2[0][j], mseq2[0] ); +} + +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + char tmpc = s1[0][i1]; + char *seq2 = s2[0]; + + while( lgth2-- ) + *match++ = amino_dis[(int)tmpc][(int)*seq2++]; +} + +static float Atracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, limk; +// char gap[] = "-"; + char *gap; + gap = newgapstr; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--mseq1[0] = seq1[0][ifi+l]; + *--mseq2[0] = *gap; + k++; + } + l= jin - jfi; + while( --l ) + { + *--mseq1[0] = *gap; + *--mseq2[0] = seq2[0][jfi+l]; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--mseq1[0] = seq1[0][ifi]; + *--mseq2[0] = seq2[0][jfi]; + k++; + iin = ifi; jin = jfi; + } + return( 0.0 ); +} + +void backdp( float **WMMTX, float wmmax, float *maxinw, float *maxinh, int lgth1, int lgth2, int alloclen, float *w1, float *w2, float *initverticalw, float *m, int *mp, int iin, int jin, char **seq1, char **seq2, char **mseq1, char **mseq2 ) +{ + register int i, j; + int prevhiti, prevhitj; +// int lasti, lastj; + float g; + float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif + float *currentw, *previousw, *wtmp; + float mi; + int mpi; + int *mpjpt; + float *mjpt, *prept, *curpt; + float wm = 0.0; + float forwwm; + + currentw = w1; + previousw = w2; + + match_calc( initverticalw, seq2, seq1, lgth2-1, lgth1 ); + match_calc( currentw, seq1, seq2, lgth1-1, lgth2 ); + + + prevhiti = iin; + prevhitj = jin; + fprintf( stderr, "prevhiti = %d, lgth1 = %d\n", prevhiti, lgth1 ); + fprintf( stderr, "prevhitj = %d, lgth2 = %d\n", prevhitj, lgth2 ); + extendmseq( mseq1, mseq2, seq1, seq2, prevhiti, prevhitj, lgth1, lgth2 ); + + for( i=0; i0; --j ) + { + m[j-1] = currentw[j]; + mp[j] = 0; // iranai + } + + for( j=0; j-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + + previousw[lgth2-1] = initverticalw[i+1]; + + match_calc( currentw, seq1, seq2, i, lgth2 ); + +#if 0 + fprintf( stderr, "i=%d, currentw = \n", i ); + for( j=0; j-1; j-- ) + { + +// fprintf( stderr, "i,j=%d,%d %c-%c ", i, j, seq1[0][i], seq2[0][j] ); + wm = *prept; + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + } + g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j+1; //iranai + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + } + g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; //iranai + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "*curpt = %5.0f \n", *curpt ); +#endif + +// forwwm = wm + MIN( maxinw[i], maxinh[j] ); + forwwm = wm + MIN( maxinw[i], maxinh[j] ); + WMMTX[i][j] = forwwm; + if( forwwm == wmmax && i orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( maxinw ); + FreeFloatVec( maxinh ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + maxinw = AllocateFloatVec( ll1+2 ); + + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + maxinh = AllocateFloatVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + FreeFloatMtx( WMMTX ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + WMMTX = AllocateFloatMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + +#if 0 + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + WMMTX[i][j] = *curpt; + + + if( j wmmax ) + { + wmmax = g; + iin = i; + jin = lgth2-1; + } + } + for( j=0; j wmmax ) + { + wmmax = g; + iin = lgth1-1; + jin = j; + } + } + + for( i=0; iMSres\n%s\n", mseq1[0] ); + fprintf( stderr, ">MSres\n%s\n", mseq2[0] ); +#endif + +#if 0 + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); +#if 1 + fprintf( stderr, "\n" ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); +#endif + + + return( wm ); +} + diff --git a/binaries/src/mafft/core/MSalignmm.c b/binaries/src/mafft/core/MSalignmm.c new file mode 100644 index 0000000..474d11f --- /dev/null +++ b/binaries/src/mafft/core/MSalignmm.c @@ -0,0 +1,1753 @@ +#include "mltaln.h" +#include "dp.h" + +#define MEMSAVE 1 + +#define DEBUG 0 +#define USE_PENALTY_EX 0 +#define STOREWM 0 + +#define DPTANNI 100 + + +static TLS int reccycle = 0; + + +static void match_calc( float *match, float **cpmx1, float **cpmx2, int i1, int lgth2, float **floatwork, int **intwork, int initialize ) +{ + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; + int count = 0; + float *matchpt; + float **cpmxpdpt; + int **cpmxpdnpt; + int cpkd; + + if( initialize ) + { + for( j=0; j -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#else + matchpt = match; + cpmxpdnpt = cpmxpdn; + cpmxpdpt = cpmxpd; + while( lgth2-- ) + { + *matchpt = 0.0; + for( k=0; (cpkd=(*cpmxpdnpt)[k])>-1; k++ ) + *matchpt += scarr[cpkd] * (*cpmxpdpt)[k]; + matchpt++; + cpmxpdnpt++; + cpmxpdpt++; + } +#endif +} + +static float Atracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + int **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen, + int fulllen1, int fulllen2, int tailgp ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char *gaptable1, *gt1bk; + char *gaptable2, *gt2bk; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + + gt1bk = AllocateCharVec( lgth1+lgth2+1 ); + gt2bk = AllocateCharVec( lgth1+lgth2+1 ); + +#if 0 + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } +#if 0 + else if( jen == fulllen2-1 ) + { + fprintf( stderr, "searching lastverticalw\n" ); + wm = lastverticalw[0]; + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + } + else if( ien == fulllen1-1 ) + { + fprintf( stderr, "searching lasthorizontalw\n" ); + wm = lasthorizontalw[0]; + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } +#endif + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + + } + + for( i=0; i", wm ); +#endif + g = mi + fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + + Atracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, ijp, icyc, jcyc, ist, ien, jst, jen, fulllen1, fulllen2, tailgp ); +#if 0 + fprintf( stderr, "res in _tanni mseq1[0] = %s\n", mseq1[0] ); + fprintf( stderr, "res in _tanni mseq2[0] = %s\n", mseq2[0] ); +#endif + +// for( i=0; i", wm ); +#endif + g = mi + fgcp2[j-1]; +// g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + g = *prept + ogcp2[j]; +// g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fgcp1[i-1]; +// g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + + g = *prept + ogcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + +// fprintf( stderr, "m[%d] = %f\n", j, m[j] ); + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; + +#if STOREWM + WMMTX2[i][lgth2] = m[lgth2-1]; +#endif + +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j] + fgcp2[lgth2-2]; +// m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + firstm = -9999999.9; +// firstmp = lgth1-1; + firstmp = lgth1; + for( i=lgth1-2; i>-1; i-- ) + { +#ifdef enablemultithread +// fprintf( stderr, "chudan = %d, %d\n", *chudanpt, chudanref ); + if( chudanpt && *chudanpt != chudanref ) + { +// fprintf( stderr, "\n\n## CHUUDAN!!! kouhan\n" ); + *chudanres = 1; + freearrays_rec1 + ( + w1, w2, initverticalw, lastverticalw, midw, midm, midn, + jumpbacki, jumpbackj, jumpforwi, jumpforwj, jumpdummi, jumpdummj, + m, mp, + floatwork, intwork +#if STOREWM + , WMMTX, WMMTX2 +#endif + ); + freearrays_rec2( gaps, aseq1, aseq2 ); + return( -1.0 ); + } +#endif + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// m[lgth2] = fgcp1[i]; +// WMMTX2[i][lgth2] += m[lgth2]; +// fprintf( stderr, "m[] = %f\n", m[lgth2] ); + + mi = previousw[lgth2-1] + fgcp2[lgth2-2]; +// mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + + g = mi + ogcp2[j+1]; +// g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + ijpi = i+1; + } + + g = *prept + fgcp2[j]; +// g = *prept; + if( g >= mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + ogcp1[i+1]; +// g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + ijpj = j+1; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); + g = *prept + fgcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; +// midm[j+1] += *mjpt + fpenalty; //?????? + midm[j+1] += *mjpt; //?????? + } + if( i == imid - 1 ) + { +// midn[j] += mi + fpenalty; //???? + midn[j] += mi; //???? + } +#if STOREWM + WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + WMMTX2[i][j+1] += *mjpt; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } +// fprintf( stderr, "adding *mjpt (=%f) to WMMTX2[%d][%d]\n", *mjpt, i, j+1 ); + g = *prept + fgcp1[i]; + if( firstm < g ) + { + firstm = g; + firstmp = i + 1; + } +#if STOREWM + WMMTX2[i][j+1] += firstm; +#endif + if( i == imid ) midm[j+1] += firstm; + + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 0; +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + + +// fprintf( stderr, "### imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + jumpi = imid-1; + jumpj = jmid-1; + if( jmid > 0 && midn[jmid-1] > wm ) //060413 + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + wm = midn[jmid-1]; +// fprintf( stderr, "rejump (n)\n" ); + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + wm = midm[jmid]; +// fprintf( stderr, "rejump (m) jumpi=%d\n", jumpi ); + } + + +// fprintf( stderr, "--> imid=%d, jmid=%d\n", imid, jmid ); +// fprintf( stderr, "--> jumpi=%d, jumpj=%d\n", jumpi, jumpj ); +#if STOREWM + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j 100 ) // naze 100 + if( imid < firstmp-1 ) // naze 100 + { + jumpi = firstmp; + imid = firstmp+1; + } +#if 0 + else + { + jumpi = 0; + imid = 1; + } +#endif +#endif + } + +#if 0 + else if( jmid == lgth2 ) + { + fprintf( stderr, "CHUI1!\n" ); + jumpi=0; jumpj=0; + imid=jumpforwi[0]; jmid=lgth2-1; + } +#else // 060414 + else if( jmid >= lgth2 ) + { +// fprintf( stderr, "CHUI1!\n" ); + jumpi=imid-1; jmid=lgth2; + jumpj = lgth2-1; + } +#endif + else + { +// fprintf( stderr, "#### CHUI3!\n" ); + imid = jumpforwi[jumpj]; + jmid = jumpforwj[jumpj]; + if( imid == jumpi ) jumpi = imid-1; + } +#if 0 + fprintf( stderr, "jumpi -> %d\n", jumpi ); + fprintf( stderr, "jumpj -> %d\n", jumpj ); + fprintf( stderr, "imid -> %d\n", imid ); + fprintf( stderr, "jmid -> %d\n", jmid ); +#endif +// fprintf( stderr, "#### FINAL i=%d, jumpi N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + freearrays_rec1 + ( + w1, w2, initverticalw, lastverticalw, midw, midm, midn, + jumpbacki, jumpbackj, jumpforwi, jumpforwj, jumpdummi, jumpdummj, + m, mp, + floatwork, intwork +#if STOREWM + , WMMTX, WMMTX2 +#endif + ); + + +// fprintf( stderr, "==== calling myself (first)\n" ); + + value = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, fulllen1, fulllen2, aseq1, aseq2, depth, gapinfo, NULL, 0, NULL, headgp, tailgp ); // chudan mada +#if 0 + fprintf( stderr, "aseq1[0] = %s\n", aseq1[0] ); + fprintf( stderr, "aseq2[0] = %s\n", aseq2[0] ); +#endif +#if MEMSAVE +#else + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i 1 || maxwm - value > 1 ) + { + fprintf( stderr, "WARNING value = %f, but maxwm = %f\n", value, maxwm ); + for( i=0; i1-%d\n%s\n", i, mseq1[i] ); + fprintf( stderr, "%s\n", aseq1[i] ); + } + for( i=0; i2-%d\n%s\n", i, mseq2[i] ); + fprintf( stderr, "%s\n", aseq2[i] ); + } + +// exit( 1 ); + } + else + { + fprintf( stderr, "value = %.0f, maxwm = %.0f -> ok\n", value, maxwm ); + } +#endif + +#if MEMSAVE +#else + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, lgth1, lgth2, mseq1, mseq2, 0, gapinfo, chudanpt, chudanref, chudanres, headgp, tailgp ); +#ifdef enablemultithread + if( chudanres && *chudanres ) + { +// fprintf( stderr, "\n\n## CHUUDAN!!! relay\n" ); + *chudanres = 1; + freearrays( ogcp1, ogcp2, fgcp1, fgcp2, cpmx1, cpmx2, gapinfo, mseq1, mseq2 ); + return( -1.0 ); + } +#endif + +#if DEBUG + fprintf( stderr, " seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, " seq2[0] = %s\n", seq2[0] ); + fprintf( stderr, "mseq1[0] = %s\n", mseq1[0] ); + fprintf( stderr, "mseq2[0] = %s\n", mseq2[0] ); +#endif + +// fprintf( stderr, "wm = %f\n", wm ); + + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( + char **seq1, char **seq2, + char **mseq1, char **mseq2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + fpenalty * ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + + Atracking( seq1, seq2, aseq1, aseq2, ijp, icyc, jcyc, ist, ien, jst, jen ); + + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } +// g = *prept + fpenalty * ogcp2[j]; + g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// g = *mjpt + fpenalty * fgcp1[i-1]; + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + +// g = *prept + fpenalty * ogcp1[i]; + g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { +// m[j-1] = currentw[j] + fpenalty * fgcp2[lgth2-2]; + m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// mi = previousw[lgth2-1] + fpenalty * fgcp2[lgth2-2]; + mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + +// g = mi + fpenalty * ogcp2[j+1]; + g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + } + +// g = *prept + fpenalty + fgcp2[j]; + g = *prept; + if( g > mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); +// g = *mjpt + fpenalty * ogcp1[i+1]; + g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); +// g = *prept + fpenalty * fgcp1[i]; + g = *prept; + if( g > *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; + midm[j+1] += *mjpt + fpenalty; //?????? + } + if( i == imid - 1 ) + { + midn[j] += mi + fpenalty; //???? + } +#if STOREWM + WMMTX[i][j] += wm; + WMMTX2[i][j+1] += *mjpt + fpenalty; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 1; + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } + wm = midm[j]; + if( wm > maxwm ) + { + jmid = j; + maxwm = wm; + } + } +// fprintf( stderr, "imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + { + jumpi = imid-1; + jumpj = jmid-1; + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + } + if( midn[jmid-1] >= wm ) + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + } +#if 0 + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j %d\n", imid ); +// fprintf( stderr, "jmid -> %d\n", jmid ); + break; + } + } +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + +// fprintf( stderr, "==== calling myself (first)\n" ); + + MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo ); + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo ); + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( + char **seq1, char **seq2, + char **mseq1, char **mseq2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + fpenalty * ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + + Atracking( seq1, seq2, aseq1, aseq2, ijp, icyc, jcyc, ist, ien, jst, jen ); + + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +// g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; +// g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +// g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + + g = *prept + fpenalty * ogcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + +// fprintf( stderr, "m[%d] = %f\n", j, m[j] ); + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; + +#if STOREWM + WMMTX2[i][lgth2] = m[lgth2-1]; +#endif + +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j] + fpenalty * fgcp2[lgth2-2]; +// m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + firstm = -9999999.9; + firstmp = lgth1-1; + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// m[lgth2] = fpenalty * fgcp1[i]; +// WMMTX2[i][lgth2] += m[lgth2]; +// fprintf( stderr, "m[] = %f\n", m[lgth2] ); + + mi = previousw[lgth2-1] + fpenalty * fgcp2[lgth2-2]; +// mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + + g = mi + fpenalty * ogcp2[j+1]; +// g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + ijpi = i+1; + } + + g = *prept + fpenalty * fgcp2[j]; +// g = *prept; + if( g >= mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + fpenalty * ogcp1[i+1]; +// g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + ijpj = j+1; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); + g = *prept + fpenalty * fgcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; +// midm[j+1] += *mjpt + fpenalty; //?????? + midm[j+1] += *mjpt; //?????? + } + if( i == imid - 1 ) + { +// midn[j] += mi + fpenalty; //???? + midn[j] += mi; //???? + } +#if STOREWM + WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + WMMTX2[i][j+1] += *mjpt; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } +// fprintf( stderr, "adding *mjpt (=%f) to WMMTX2[%d][%d]\n", *mjpt, i, j+1 ); + g = *prept + fpenalty * fgcp1[i]; + if( firstm < g ) + { + firstm = g; + firstmp = i + 1; + } +#if STOREWM + WMMTX2[i][j+1] += firstm; +#endif + if( i == imid ) midm[j+1] += firstm; + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 0; +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + + +// fprintf( stderr, "### imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + jumpi = imid-1; + jumpj = jmid-1; + if( midn[jmid-1] > wm ) + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + wm = midn[jmid-1]; +// fprintf( stderr, "rejump (n)\n" ); + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + wm = midm[jmid]; +// fprintf( stderr, "rejump (m) jumpi=%d\n", jumpi ); + } + + +// fprintf( stderr, "--> imid=%d, jmid=%d\n", imid, jmid ); +// fprintf( stderr, "--> jumpi=%d, jumpj=%d\n", jumpi, jumpj ); +#if STOREWM + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j %d\n", jumpi ); + fprintf( stderr, "jumpj -> %d\n", jumpj ); + fprintf( stderr, "imid -> %d\n", imid ); + fprintf( stderr, "jmid -> %d\n", jmid ); +#endif + +#if STOREWM + break; +#else + break; +#endif + } + } +#if 0 + jumpi=0; jumpj=0; + imid=lgth1-1; jmid=lgth2-1; + } +#endif + +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + +// fprintf( stderr, "==== calling myself (first)\n" ); + +// fprintf( stderr, "jumpi = %d\n", jumpi ); + value = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo ); + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i 1 || maxwm - value > 1 ) + { + fprintf( stderr, "WARNING value = %f, but maxwm = %f penalty = %f\n", value, maxwm, fpenalty ); + for( i=0; i1-%d\n%s\n", i, mseq1[i] ); + fprintf( stderr, "%s\n", aseq1[i] ); + } + for( i=0; i2-%d\n%s\n", i, mseq2[i] ); + fprintf( stderr, "%s\n", aseq2[i] ); + } + +// exit( 1 ); + } + else + { + fprintf( stderr, "value = %.0f, maxwm = %.0f -> ok\n", value, maxwm ); + } +#endif + + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo ); + +// fprintf( stderr, "wm = %f\n", wm ); + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( + char **seq1, char **seq2, + char **mseq1, char **mseq2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + fpenalty * ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + + Atracking( seq1, seq2, aseq1, aseq2, ijp, icyc, jcyc, ist, ien, jst, jen ); + + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +// g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; +// g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +// g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + + g = *prept + fpenalty * ogcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + +// fprintf( stderr, "m[%d] = %f\n", j, m[j] ); + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; + +#if STOREWM + WMMTX2[i][lgth2] = m[lgth2-1]; +#endif + +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j] + fpenalty * fgcp2[lgth2-2]; +// m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + firstm = -9999999.9; + firstmp = lgth1-1; + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// m[lgth2] = fpenalty * fgcp1[i]; +// WMMTX2[i][lgth2] += m[lgth2]; +// fprintf( stderr, "m[] = %f\n", m[lgth2] ); + + mi = previousw[lgth2-1] + fpenalty * fgcp2[lgth2-2]; +// mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + + g = mi + fpenalty * ogcp2[j+1]; +// g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + ijpi = i+1; + } + + g = *prept + fpenalty * fgcp2[j]; +// g = *prept; + if( g >= mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + fpenalty * ogcp1[i+1]; +// g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + ijpj = j+1; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); + g = *prept + fpenalty * fgcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; +// midm[j+1] += *mjpt + fpenalty; //?????? + midm[j+1] += *mjpt; //?????? + } + if( i == imid - 1 ) + { +// midn[j] += mi + fpenalty; //???? + midn[j] += mi; //???? + } +#if STOREWM + WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + WMMTX2[i][j+1] += *mjpt; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } +// fprintf( stderr, "adding *mjpt (=%f) to WMMTX2[%d][%d]\n", *mjpt, i, j+1 ); + g = *prept + fpenalty * fgcp1[i]; + if( firstm < g ) + { + firstm = g; + firstmp = i + 1; + } +#if STOREWM + WMMTX2[i][j+1] += firstm; +#endif + if( i == imid ) midm[j+1] += firstm; + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 0; +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + + +// fprintf( stderr, "### imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + jumpi = imid-1; + jumpj = jmid-1; + if( midn[jmid-1] > wm ) + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + wm = midn[jmid-1]; +// fprintf( stderr, "rejump (n)\n" ); + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + wm = midm[jmid]; +// fprintf( stderr, "rejump (m) jumpi=%d\n", jumpi ); + } + + +// fprintf( stderr, "--> imid=%d, jmid=%d\n", imid, jmid ); +// fprintf( stderr, "--> jumpi=%d, jumpj=%d\n", jumpi, jumpj ); +#if STOREWM + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j %d\n", jumpi ); + fprintf( stderr, "jumpj -> %d\n", jumpj ); + fprintf( stderr, "imid -> %d\n", imid ); + fprintf( stderr, "jmid -> %d\n", jmid ); +#endif + +#if STOREWM + break; +#else + break; +#endif + } + } +#if 0 + jumpi=0; jumpj=0; + imid=lgth1-1; jmid=lgth2-1; + } +#endif + +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + +// fprintf( stderr, "==== calling myself (first)\n" ); + +// fprintf( stderr, "jumpi = %d\n", jumpi ); + value = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo ); + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i 1 || maxwm - value > 1 ) + { + fprintf( stderr, "WARNING value = %f, but maxwm = %f penalty = %f\n", value, maxwm, fpenalty ); + for( i=0; i1-%d\n%s\n", i, mseq1[i] ); + fprintf( stderr, "%s\n", aseq1[i] ); + } + for( i=0; i2-%d\n%s\n", i, mseq2[i] ); + fprintf( stderr, "%s\n", aseq2[i] ); + } + +// exit( 1 ); + } + else + { + fprintf( stderr, "value = %.0f, maxwm = %.0f -> ok\n", value, maxwm ); + } +#endif + + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo ); + +// fprintf( stderr, "wm = %f\n", wm ); + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + fpenalty * ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + + + Atracking( currentw, lastverticalw, seq1, seq2, aseq1, aseq2, cpmx1+ist, cpmx2+jst, ijp, icyc, jcyc, ist, ien, jst, jen ); + + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } +// g = *prept + fpenalty * ogcp2[j]; + g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// g = *mjpt + fpenalty * fgcp1[i-1]; + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + +// g = *prept + fpenalty * ogcp1[i]; + g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { +// m[j-1] = currentw[j] + fpenalty * fgcp2[lgth2-2]; + m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// mi = previousw[lgth2-1] + fpenalty * fgcp2[lgth2-2]; + mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + +// g = mi + fpenalty * ogcp2[j+1]; + g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + } + +// g = *prept + fpenalty + fgcp2[j]; + g = *prept; + if( g > mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); +// g = *mjpt + fpenalty * ogcp1[i+1]; + g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); +// g = *prept + fpenalty * fgcp1[i]; + g = *prept; + if( g > *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; + midm[j+1] += *mjpt + fpenalty; //?????? + } + if( i == imid - 1 ) + { + midn[j] += mi + fpenalty; //???? + } +#if STOREWM + WMMTX[i][j] += wm; + WMMTX2[i][j+1] += *mjpt + fpenalty; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 1; + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } + wm = midm[j]; + if( wm > maxwm ) + { + jmid = j; + maxwm = wm; + } + } +// fprintf( stderr, "imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + { + jumpi = imid-1; + jumpj = jmid-1; + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + } + if( midn[jmid-1] >= wm ) + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + } +#if 0 + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j %d\n", imid ); +// fprintf( stderr, "jmid -> %d\n", jmid ); + break; + } + } +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + +// fprintf( stderr, "==== calling myself (first)\n" ); + + MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo ); + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo ); + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 1 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + WMMTX[i][j] = *curpt; + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + fprintf( stderr, "j=%d end\n", j ); + } + lastverticalw[i] = currentw[lgth2-1]; + fprintf( stderr, "i=%d end\n", i ); + } + +#if 1 + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + WMMTX[i][j] = *curpt; + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +#if 0 + for( i=0; i0; --j ) + { + m[j-1] = currentw[j]; + } + +// for( j=0; j=imid; i-- ) +// for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + + mi = previousw[lgth2-1]; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + g = mi + fpenalty; + if( g > wm ) wm = g; + + g = *prept; + if( g >= mi ) mi = g; + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty; + if( g > wm ) wm = g; + + g = *prept; + if( g >= *mjpt ) *mjpt = g; + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + WMMTX[i][j] += wm; + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } + } + +#if 0 + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + maxwm = -999999999.9; + jmid = -100; + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } + } + // gap no tochu de kirrareru kanousei ari. + + fprintf( stderr, "wm = %f\n", wm ); + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + + FreeShortMtx( shortmtx ); + FreeFloatMtx( WMMTX ); + + + fprintf( stderr, "==== calling myself (first)\n" ); + MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+imid, jst, jst+jmid, alloclen, aseq1, aseq2, depth ); + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( + char **seq1, char **seq2, + char **mseq1, char **mseq2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + fpenalty * ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + + Atracking( seq1, seq2, aseq1, aseq2, ijp, icyc, jcyc, ist, ien, jst, jen ); + + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +// g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; +// g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +// g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + + g = *prept + fpenalty * ogcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j] + fpenalty * fgcp2[lgth2-2]; +// m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + + mi = previousw[lgth2-1] + fpenalty * fgcp2[lgth2-2]; +// mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + + g = mi + fpenalty * ogcp2[j+1]; +// g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + } + + g = *prept + fpenalty * fgcp2[j]; +// g = *prept; + if( g >= mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + fpenalty * ogcp1[i+1]; +// g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); + g = *prept + fpenalty * fgcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; +// midm[j+1] += *mjpt + fpenalty; //?????? + midm[j+1] += *mjpt; //?????? + } + if( i == imid - 1 ) + { +// midn[j] += mi + fpenalty; //???? + midn[j] += mi; //???? + } +#if STOREWM + WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + WMMTX2[i][j+1] += *mjpt; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } + + if( i == imid - 1 ) + { + maxwm = midw[1]; +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + jumpi = imid-1; + jumpj = jmid-1; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=1; j maxwm ) + { + jmid = j; + maxwm = wm; + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=2; j maxwm ) + { + jmid = j-1; + maxwm = wm; + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + + if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + +#if 0 + fprintf( stderr, "### imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + jumpi = imid-1; + jumpj = jmid-1; + if( midn[jmid-1] > wm ) + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + wm = midn[jmid-1]; + fprintf( stderr, "rejump (n)\n" ); + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + wm = midm[jmid]; + fprintf( stderr, "rejump (m) jumpi=%d\n", jumpi ); + } +#endif + + fprintf( stderr, "--> imid=%d, jmid=%d\n", imid, jmid ); + fprintf( stderr, "--> jumpi=%d, jumpj=%d\n", jumpi, jumpj ); +#if STOREWM + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j %d\n", imid ); + fprintf( stderr, "jmid -> %d\n", jmid ); +#if STOREWM +#else + break; +#endif + } + } +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + +// fprintf( stderr, "==== calling myself (first)\n" ); + + fprintf( stderr, "jumpi = %d\n", jumpi ); + value = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo ); + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i 1 || maxwm - value > 1 ) + { + fprintf( stderr, "WARNING value = %f, but maxwm = %f penalty = %f\n", value, maxwm, fpenalty ); +#if 1 + for( i=0; i1-%d\n%s\n", i, mseq1[i] ); + fprintf( stderr, "%s\n", aseq1[i] ); + } + for( i=0; i2-%d\n%s\n", i, mseq2[i] ); + fprintf( stderr, "%s\n", aseq2[i] ); + } +#endif + +// exit( 1 ); + } + else + { + fprintf( stderr, "value = %.0f, maxwm = %.0f -> ok\n", value, maxwm ); + } + + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo ); + +// fprintf( stderr, "wm = %f\n", wm ); + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( + char **seq1, char **seq2, + char **mseq1, char **mseq2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + fpenalty * ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + + Atracking( seq1, seq2, aseq1, aseq2, ijp, icyc, jcyc, ist, ien, jst, jen ); + + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +// g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; +// g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +// g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + } + + + g = *prept + fpenalty * ogcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +#if STOREWM + WMMTX[i][j] = *curpt; + WMMTX2[i][j] = *mjpt; +#endif + + if( i == imid ) //muda + { + jumpbackj[j] = *mpjpt; // muda atode matomeru + jumpbacki[j] = mpi; // muda atode matomeru +// fprintf( stderr, "jumpbackj[%d] in forward dp is %d\n", j, *mpjpt ); +// fprintf( stderr, "jumpbacki[%d] in forward dp is %d\n", j, mpi ); + midw[j] = *curpt; + midm[j] = *mjpt; + midn[j] = mi; + } + +// fprintf( stderr, "m[%d] = %f\n", j, m[j] ); + mjpt++; + prept++; + mpjpt++; + curpt++; + + } + lastverticalw[i] = currentw[lgth2-1]; + +#if STOREWM + WMMTX2[i][lgth2] = m[lgth2-1]; +#endif + +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j] + fpenalty * fgcp2[lgth2-2]; +// m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) + firstm = -9999999.9; + firstmp = lgth1-1; + for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + +// m[lgth2] = fpenalty * fgcp1[i]; +// WMMTX2[i][lgth2] += m[lgth2]; +// fprintf( stderr, "m[] = %f\n", m[lgth2] ); + + mi = previousw[lgth2-1] + fpenalty * fgcp2[lgth2-2]; +// mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + ijpi = i+1; + ijpj = j+1; + + g = mi + fpenalty * ogcp2[j+1]; +// g = mi + fpenalty; + if( g > wm ) + { + wm = g; + ijpj = mpi; + ijpi = i+1; + } + + g = *prept + fpenalty * fgcp2[j]; +// g = *prept; + if( g >= mi ) + { +// fprintf( stderr, "i,j=%d,%d - renewed! mpi = %d\n", i, j, j+1 ); + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + fpenalty * ogcp1[i+1]; +// g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + ijpi = *mpjpt; + ijpj = j+1; + } + +// if( i == imid )fprintf( stderr, "i,j=%d,%d \n", i, j ); + g = *prept + fpenalty * fgcp1[i]; +// g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == jumpi || i == imid - 1 ) + { + jumpforwi[j] = ijpi; //muda + jumpforwj[j] = ijpj; //muda +// fprintf( stderr, "jumpfori[%d] = %d\n", j, ijpi ); +// fprintf( stderr, "jumpforj[%d] = %d\n", j, ijpj ); + } + if( i == imid ) // muda + { + midw[j] += wm; +// midm[j+1] += *mjpt + fpenalty; //?????? + midm[j+1] += *mjpt; //?????? + } + if( i == imid - 1 ) + { +// midn[j] += mi + fpenalty; //???? + midn[j] += mi; //???? + } +#if STOREWM + WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + WMMTX2[i][j+1] += *mjpt; +#endif + *curpt += wm; + + mjpt--; + prept--; + mpjpt--; + curpt--; + } +// fprintf( stderr, "adding *mjpt (=%f) to WMMTX2[%d][%d]\n", *mjpt, i, j+1 ); + g = *prept + fpenalty * fgcp1[i]; + if( firstm < g ) + { + firstm = g; + firstmp = i + 1; + } +#if STOREWM + WMMTX2[i][j+1] += firstm; +#endif + if( i == imid ) midm[j+1] += firstm; + + if( i == imid - 1 ) + { + maxwm = midw[1]; + jmid = 0; +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + for( j=2; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + } + +// if( depth == 1 ) fprintf( stderr, "maxwm!! = %f\n", maxwm ); + + +// fprintf( stderr, "### imid=%d, jmid=%d\n", imid, jmid ); + wm = midw[jmid]; + jumpi = imid-1; + jumpj = jmid-1; + if( jmid > 0 && midn[jmid-1] > wm ) //060413 + { + jumpi = imid-1; + jumpj = jumpbacki[jmid]; + wm = midn[jmid-1]; +// fprintf( stderr, "rejump (n)\n" ); + } + if( midm[jmid] > wm ) + { + jumpi = jumpbackj[jmid]; + jumpj = jmid-1; + wm = midm[jmid]; +// fprintf( stderr, "rejump (m) jumpi=%d\n", jumpi ); + } + + +// fprintf( stderr, "--> imid=%d, jmid=%d\n", imid, jmid ); +// fprintf( stderr, "--> jumpi=%d, jumpj=%d\n", jumpi, jumpj ); +#if STOREWM + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "midn = \n" ); + for( j=0; j= lgth2 ) + { + fprintf( stderr, "CHUI1!\n" ); + jumpi=imid-1; jmid=lgth2; + jumpj = lgth2-1; + } +#endif + else + { + imid = jumpforwi[jumpj]; + jmid = jumpforwj[jumpj]; + } +#if 0 + fprintf( stderr, "jumpi -> %d\n", jumpi ); + fprintf( stderr, "jumpj -> %d\n", jumpj ); + fprintf( stderr, "imid -> %d\n", imid ); + fprintf( stderr, "jmid -> %d\n", jmid ); +#endif + +#if STOREWM + break; +#else + break; +#endif + } + } +#if 0 + jumpi=0; jumpj=0; + imid=lgth1-1; jmid=lgth2-1; + } +#endif + +// fprintf( stderr, "imid = %d, but jumpi = %d\n", imid, jumpi ); +// fprintf( stderr, "jmid = %d, but jumpj = %d\n", jmid, jumpj ); + +// for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + FreeFloatVec( midn ); + + FreeIntVec( jumpbacki ); + FreeIntVec( jumpbackj ); + FreeIntVec( jumpforwi ); + FreeIntVec( jumpforwj ); + FreeIntVec( jumpdummi ); + FreeIntVec( jumpdummj ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +#if STOREWM + FreeFloatMtx( WMMTX ); + FreeFloatMtx( WMMTX2 ); +#endif + +// fprintf( stderr, "==== calling myself (first)\n" ); + +// fprintf( stderr, "jumpi = %d\n", jumpi ); + value = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo ); +#if MEMSAVE + alnlen = strlen( aseq1[0] ); + for( i=0; i 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i 1 || maxwm - value > 1 ) + { + fprintf( stderr, "WARNING value = %f, but maxwm = %f penalty = %f\n", value, maxwm, fpenalty ); + for( i=0; i1-%d\n%s\n", i, mseq1[i] ); + fprintf( stderr, "%s\n", aseq1[i] ); + } + for( i=0; i2-%d\n%s\n", i, mseq2[i] ); + fprintf( stderr, "%s\n", aseq2[i] ); + } + +// exit( 1 ); + } + else + { + fprintf( stderr, "value = %.0f, maxwm = %.0f -> ok\n", value, maxwm ); + } +#endif + +#if MEMSAVE +#else + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo ); + +// fprintf( stderr, "wm = %f\n", wm ); + + for( i=0; i -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[j][k]] * cpmxpd[j][k]; + } +#endif +} + +static float Atracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + short **ijp, int icyc, int jcyc, + int ist, int ien, int jst, int jen ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k, klim; + char gap[] = "-"; + float wm; + lgth1 = ien-ist+1; + lgth2 = jen-jst+1; + +#if 0 + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i", wm ); +#endif + g = mi + fpenalty * fgcp2[j-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + fpenalty * ogcp2[j]; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fpenalty * fgcp1[i-1]; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + fpenalty * ogcp1[i]; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + + + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + + + Atracking( currentw, lastverticalw, seq1, seq2, aseq1, aseq2, cpmx1+ist, cpmx2+jst, ijp, icyc, jcyc, ist, ien, jst, jen ); + + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *jumppt = +mpi; // muda atode matomeru +// *ijppt = -( j - mpi ); + } + g = *prept; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt (f)= %d\n", i, j, *mpjpt ); + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijppt = +( i - *mpjpt ); + *jumppt = -*mpjpt; // muda atode matomeru + } + g = *prept; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + +// WMMTX[i][j] = *curpt; +// WMMTX2[i][j] = *mjpt; + + if( i == imid ) //muda + { + midw[j] = *curpt; + midm[j] = *mjpt; + } + +// ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + jumppt++; + + } + lastverticalw[i] = currentw[lgth2-1]; +#if 0 // ue + if( i == imid ) + { + for( j=0; j0; --j ) + { + m[j-1] = currentw[j]; + mp[j] = lgth1-1; + } + +// for( j=0; j=imid; i-- ) +// for( i=lgth1-2; i>-1; i-- ) + { + wtmp = previousw; + previousw = currentw; + currentw = wtmp; + previousw[lgth2-1] = initverticalw[i+1]; +// match_calc( currentw, seq1, seq2, i, lgth2 ); + match_calc( currentw, cpmx1+ist, cpmx2+jst, i, lgth2, floatwork, intwork, 0 ); + + currentw[lgth2-1] = initverticalw[i]; + + mi = previousw[lgth2-1]; + mpi = lgth2 - 1; + + mjpt = m + lgth2 - 2; + prept = previousw + lgth2 - 1; + curpt = currentw + lgth2 - 2; + mpjpt = mp + lgth2 - 2; + if( i == imid ) jumppt = jumpforw + lgth2 - 2; + else jumppt = jumpdumm + lgth2 - 2; + + for( j=lgth2-2; j>-1; j-- ) + { + wm = *prept; + *jumppt = 0; //muda + + g = mi + fpenalty; + if( g > wm ) + { + wm = g; + *jumppt = +mpi; //muda + } + + g = *prept; + if( g > mi ) + { + mi = g; + mpi = j + 1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +// fprintf( stderr, "i,j=%d,%d *mpjpt = %d\n", i, j, *mpjpt ); + g = *mjpt + fpenalty; + if( g > wm ) + { + wm = g; + *jumppt = -*mpjpt; //muda + } + + g = *prept; + if( g > *mjpt ) + { +// fprintf( stderr, "mjpt: %f->%f (%d,%d)\n", *mjpt, g, i, j ); + *mjpt = g; + *mpjpt = i + 1; + } + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + if( i == imid ) // muda + { + midw[j] += wm; + midm[j+1] += *mjpt + fpenalty; + } +// WMMTX[i][j] += wm; +// WMMTX2[i][j+1] += *mjpt + fpenalty; + *curpt += wm; + + mjpt--; + prept--; +// mpjpt--; + curpt--; + jumppt--; + } + } + +// for( j=0; j N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } +#endif + + + maxwm = -999999999.9; + jmid = -100; + for( j=0; j maxwm ) + { + jmid = j; + maxwm = wm; + } + wm = midm[j]; + if( wm > maxwm ) + { + jmid = j; + maxwm = wm; + } + } +#if 0 + fprintf( stderr, "jmid=%d, maxwm = %f\n", jmid, maxwm ); + fprintf( stderr, "jumpforw[%d] = %d\n", jmid, jumpforw[jmid] ); + fprintf( stderr, "jumpback[%d] = %d\n", jmid, jumpback[jmid] ); + + if( jumpback[jmid] == 0 ) + { + jumpi = imid-1; + jumpj = jmid-1; + } + else if( jumpback[jmid] < 0 ) + { + jumpi = - jumpback[jmid]; + jumpj = jmid-1; + } + else + { + jumpi = imid-1; + jumpj = jumpback[jmid]; + } + + if( jumpforw[jmid] == 0 ) + { + ; + } + else if( jumpforw[jmid] < 0 ) + { + imid = - jumpforw[jmid]; + fprintf( stderr, "XXXX imid = %d", imid ); + } + else + { + fprintf( stderr, "OXOXO" ); + jmid = jumpforw[jmid]; + } +#else + jumpi = imid-1; + jumpj = jmid-1; +#endif + +#if 0 + fprintf( stderr, "jumpi = %d, imid = %d\n", jumpi, imid ); + fprintf( stderr, "jumpj = %d, jmid = %d\n", jumpj, jmid ); + + fprintf( stderr, "imid = %d\n", imid ); + fprintf( stderr, "jmid = %d\n", jmid ); +#endif + + + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); +// FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + FreeFloatVec( midw ); + FreeFloatVec( midm ); + + FreeIntVec( jumpback ); + FreeIntVec( jumpforw ); + FreeIntVec( jumpdumm ); + free( gaps ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + +// FreeShortMtx( shortmtx ); +// FreeFloatMtx( WMMTX ); +// FreeFloatMtx( WMMTX2 ); + +// fprintf( stderr, "==== calling myself (first)\n" ); + + MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, ist, ist+jumpi, jst, jst+jumpj, alloclen, aseq1, aseq2, depth, gapinfo ); + for( i=0; i 0 ) + { + fprintf( stderr, "l=%d\n", l ); + for( i=0; i 0 ) + { + fprintf( stderr, "l=%d\n", l ); + for( i=0; i%d of GROUP1\n", i ); + fprintf( stdout, "%s\n", seq1[i] ); + } + for( i=0; i%d of GROUP2\n", i ); + fprintf( stdout, "%s\n", seq2[i] ); + } + fflush( stdout ); +#endif + + wm = MSalignmm_rec( icyc, jcyc, eff1, eff2, seq1, seq2, cpmx1, cpmx2, 0, lgth1-1, 0, lgth2-1, alloclen, mseq1, mseq2, 0, gapinfo ); + + for( i=0; i univscript + +mafft: mafft.tmpl + sed "s:_LIBDIR:$(LIBDIR):" mafft.tmpl > mafft + +mafft-homologs.rb: mafft-homologs.tmpl +# cp mafft-homologs.tmpl mafft-homologs.rb + sed "s:_BINDIR:$(BINDIR):" mafft-homologs.tmpl > mafft-homologs.rb + +mltaln.h : functions.h + touch mltaln.h + +tbfast : $(OBJTBFAST) + $(CC) -o $@ $(OBJTBFAST) $(MYCFLAGS) $(LIBS) + +tbfast2 : $(OBJTBFAST2) + $(CC) -o $@ $(OBJTBFAST2) $(MYCFLAGS) $(LIBS) + +disttbfast : $(OBJDISTTBFAST) + $(CC) -o $@ $(OBJDISTTBFAST) $(MYCFLAGS) $(LIBS) + +splittbfast : $(OBJSPLITTBFAST) + $(CC) -o $@ $(OBJSPLITTBFAST) $(MYCFLAGS) $(LIBS) + +splitfromaln : $(OBJSPLITFROMALN) + $(CC) -o $@ $(OBJSPLITFROMALN) $(MYCFLAGS) $(LIBS) + +splittbfast2 : $(OBJSPLITTBFAST2) + $(CC) -o $@ $(OBJSPLITTBFAST2) $(MYCFLAGS) $(LIBS) + +dummy : $(OBJDUMMY) + $(CC) -o $@ $(OBJDUMMY) $(MYCFLAGS) $(LIBS) + +setcore : $(OBJSETCORE) + $(CC) -o $@ $(OBJSETCORE) $(MYCFLAGS) $(LIBS) + +countlen : $(OBJCOUNTLEN) + $(CC) -o $@ $(OBJCOUNTLEN) $(MYCFLAGS) $(LIBS) + +seq2regtable : $(OBJSEQ2REGTABLE) + $(CC) -o $@ $(OBJSEQ2REGTABLE) $(MYCFLAGS) $(LIBS) + +regtable2seq : $(OBJREGTABLE2SEQ) + $(CC) -o $@ $(OBJREGTABLE2SEQ) $(MYCFLAGS) $(LIBS) + +replaceu : $(OBJREPLACEU) + $(CC) -o $@ $(OBJREPLACEU) $(MYCFLAGS) $(LIBS) + +restoreu : $(OBJRESTOREU) + $(CC) -o $@ $(OBJRESTOREU) $(MYCFLAGS) $(LIBS) + +f2cl : $(OBJF2CL) + $(CC) -o $@ $(OBJF2CL) $(MYCFLAGS) $(LIBS) + +mccaskillwrap : $(OBJMCCASKILLWRAP) + $(CC) -o $@ $(OBJMCCASKILLWRAP) $(MYCFLAGS) $(LIBS) + +contrafoldwrap : $(OBJCONTRAFOLDWRAP) + $(CC) -o $@ $(OBJCONTRAFOLDWRAP) $(MYCFLAGS) $(LIBS) + +pairlocalalign : $(OBJPAIRLOCALALIGN) + $(CC) -o $@ $(OBJPAIRLOCALALIGN) $(MYCFLAGS) $(LIBS) + +pairash : $(OBJPAIRASH) + $(CC) -o $@ $(OBJPAIRASH) $(MYCFLAGS) $(LIBS) + +rnatest : $(OBJRNATEST) + $(CC) -o $@ $(OBJRNATEST) $(MYCFLAGS) $(LIBS) + +pair2hat3s : $(OBJPAIR2HAT3S) + $(CC) -o $@ $(OBJPAIR2HAT3S) $(MYCFLAGS) $(LIBS) + +multi2hat3s : $(OBJMULTI2HAT3S) + $(CC) -o $@ $(OBJMULTI2HAT3S) $(MYCFLAGS) $(LIBS) + +getlag : $(OBJGETLAG) + $(CC) -o $@ $(OBJGETLAG) $(MYCFLAGS) $(LIBS) + +tditr : $(OBJTDITR) + $(CC) -o $@ $(OBJTDITR) $(MYCFLAGS) $(LIBS) + +dvtditr : $(OBJDVTDITR) + $(CC) -o $@ $(OBJDVTDITR) $(MYCFLAGS) $(LIBS) + +mafft-profile : $(OBJGALN) + $(CC) -o $@ $(OBJGALN) $(MYCFLAGS) $(LIBS) + +gapfill : $(OBJGAPFILL) + $(CC) -o $@ $(OBJGAPFILL) $(MYCFLAGS) $(LIBS) + +dndfast4 : $(OBJDNDFAST4) + $(CC) -o $@ $(OBJDNDFAST4) $(MYCFLAGS) $(LIBS) + +dndfast5 : $(OBJDNDFAST5) + $(CC) -o $@ $(OBJDNDFAST5) $(MYCFLAGS) $(LIBS) + +dndfast6 : $(OBJDNDFAST6) + $(CC) -o $@ $(OBJDNDFAST6) $(MYCFLAGS) $(LIBS) + +dndfast7 : $(OBJDNDFAST7) + $(CC) -o $@ $(OBJDNDFAST7) $(MYCFLAGS) $(LIBS) + +dndblast : $(OBJDNDBLAST) + $(CC) -o $@ $(OBJDNDBLAST) $(MYCFLAGS) $(LIBS) + +dndfast3 : $(OBJDNDFAST3) + $(CC) -o $@ $(OBJDNDFAST3) $(MYCFLAGS) $(LIBS) + +triplet : $(OBJTRIPLET) + $(CC) -o $@ $(OBJTRIPLET) $(MYCFLAGS) $(LIBS) + +triplet3 : $(OBJTRIPLET3) + $(CC) -o $@ $(OBJTRIPLET3) $(MYCFLAGS) $(LIBS) + +sextet3 : $(OBJSEXTET3) + $(CC) -o $@ $(OBJSEXTET3) $(MYCFLAGS) $(LIBS) + +sextet4 : $(OBJSEXTET4) + $(CC) -o $@ $(OBJSEXTET4) $(MYCFLAGS) $(LIBS) + +sextet5 : $(OBJSEXTET5) + $(CC) -o $@ $(OBJSEXTET5) $(MYCFLAGS) $(LIBS) + +mafft-distance : $(OBJDISTANCE) + $(CC) -o $@ $(OBJDISTANCE) $(MYCFLAGS) $(LIBS) + +triplet5 : $(OBJTRIPLET5) + $(CC) -o $@ $(OBJTRIPLET5) $(MYCFLAGS) $(LIBS) + +triplet6 : $(OBJTRIPLET6) + $(CC) -o $@ $(OBJTRIPLET6) $(MYCFLAGS) $(LIBS) + +octet4 : $(OBJOCTET4) + $(CC) -o $@ $(OBJOCTET4) $(MYCFLAGS) $(LIBS) + +dndpre : $(OBJDNDPRE) + $(CC) -o $@ $(OBJDNDPRE) $(MYCFLAGS) $(LIBS) + +dndpre2 : $(OBJDNDPRESCORE) + $(CC) -o $@ $(OBJDNDPRESCORE) $(MYCFLAGS) $(LIBS) + +score : $(OBJSCORE) + $(CC) -o $@ $(OBJSCORE) $(MYCFLAGS) $(LIBS) + +genMtx : $(OBJGENMTX) + $(CC) -o $@ $(OBJGENMTX) $(MYCFLAGS) $(LIBS) + +gapfill.o : gapfill.c $(HEADER) + $(CC) $(MYCFLAGS) -c gapfill.c + +mltaln9.o : mltaln9.c $(HEADER) + $(CC) $(MYCFLAGS) -c mltaln9.c + +tddis.o : tddis.c $(HEADER) + $(CC) $(MYCFLAGS) -c tddis.c + +constants.o : constants.c miyata.h miyata5.h blosum.c DNA.h JTT.c $(HEADER) + $(CC) $(MYCFLAGS) -c constants.c + +defs.o : defs.c + $(CC) $(MYCFLAGS) -c defs.c + +#A+++alignmm.o : SA+++alignmm.c $(HEADER) +# $(CC) $(MYCFLAGS) -c SA+++alignmm.c -o A+++alignmm.o + +Salignmm.o : Salignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c Salignmm.c + +Halignmm.o : Halignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c Halignmm.c + +Ralignmm.o : Ralignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c Ralignmm.c + +Qalignmm.o : Qalignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c Qalignmm.c + +MSalignmm.o : MSalignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c MSalignmm.c + +partSalignmm.o : partSalignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c partSalignmm.c + +partQalignmm.o : partQalignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c partQalignmm.c + +Lalign11.o : Lalign11.c $(HEADER) + $(CC) $(MYCFLAGS) -c Lalign11.c + +genalign11.o : genalign11.c $(HEADER) + $(CC) $(MYCFLAGS) -c genalign11.c + +genGalign11.o : genGalign11.c $(HEADER) + $(CC) $(MYCFLAGS) -c genGalign11.c + +suboptalign11.o : suboptalign11.c $(HEADER) + $(CC) $(MYCFLAGS) -c suboptalign11.c + +Galign11.o : Galign11.c $(HEADER) + $(CC) $(MYCFLAGS) -c Galign11.c + +MSalign11.o : MSalign11.c $(HEADER) + $(CC) $(MYCFLAGS) -c MSalign11.c + +SAalignmm.o : SAalignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c SAalignmm.c -o SAalignmm.o + +Lalignmm.o : Lalignmm.c $(HEADER) + $(CC) $(MYCFLAGS) -c Lalignmm.c + +rna.o : rna.c $(HEADER) + $(CC) $(MYCFLAGS) -c rna.c + +disttbfast.o : disttbfast.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c disttbfast.c + +splitfromaln.o : splitfromaln.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c splitfromaln.c + +splittbfast.o : splittbfast.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c splittbfast.c + +splittbfast2.o : splittbfast2.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c splittbfast2.c + +disttbfast_dummy.o : disttbfast_dummy.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c disttbfast_dummy.c + +dummy.o : dummy.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c dummy.c + +tbfast.o : tbfast.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c tbfast.c + +tbfast2.o : tbfast2.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c tbfast2.c + +setcore.o : setcore.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c setcore.c + +getlag.o : getlag.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c getlag.c + +tditr.o : tditr.c $(HEADER) + $(CC) $(MYCFLAGS) -c tditr.c + +dvtditr.o : dvtditr.c $(HEADER) + $(CC) $(MYCFLAGS) -c dvtditr.c + +tditeration.o : tditeration.c $(HEADER) + $(CC) $(MYCFLAGS) -c tditeration.c + +mafft-profile.o : mafft-profile.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c mafft-profile.c + +dndfast4.o : dndfast4.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c dndfast4.c + +dndfast5.o : dndfast5.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c dndfast5.c + +dndfast6.o : dndfast6.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c dndfast6.c + +dndfast7.o : dndfast7.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c dndfast7.c + +dndblast.o : dndblast.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c dndblast.c + +dndfast3.o : dndfast3.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c dndfast3.c + +dndpre.o : dndpre.c $(HEADER) + $(CC) $(MYCFLAGS) -c dndpre.c + +countlen.o : countlen.c $(HEADER) + $(CC) $(MYCFLAGS) -c countlen.c + +seq2regtable.o : seq2regtable.c $(HEADER) + $(CC) $(MYCFLAGS) -c seq2regtable.c + +regtable2seq.o : regtable2seq.c $(HEADER) + $(CC) $(MYCFLAGS) -c regtable2seq.c + +f2cl.o : f2cl.c $(HEADER) + $(CC) $(MYCFLAGS) -c f2cl.c + +replaceu.o : replaceu.c $(HEADER) + $(CC) $(MYCFLAGS) -c replaceu.c + +restoreu.o : restoreu.c $(HEADER) + $(CC) $(MYCFLAGS) -c restoreu.c + +mccaskillwrap.o : mccaskillwrap.c $(HEADER) + $(CC) $(MYCFLAGS) -c mccaskillwrap.c + +contrafoldwrap.o : contrafoldwrap.c $(HEADER) + $(CC) $(MYCFLAGS) -c contrafoldwrap.c + +pairlocalalign.o : pairlocalalign.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c pairlocalalign.c + +pairash.o : pairash.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c pairash.c + +rnatest.o : rnatest.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c rnatest.c + +multi2hat3s.o : multi2hat3s.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c multi2hat3s.c + +pair2hat3s.o : pair2hat3s.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c pair2hat3s.c + +dndpre2.o : dndpre2.c $(HEADER) + $(CC) $(MYCFLAGS) -c dndpre2.c + +io.o : io.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c io.c + +nj.o : nj.c $(HEADER) + $(CC) $(MYCFLAGS) -c nj.c + +treeOperation.o : treeOperation.c $(HEADER) + $(CC) $(MYCFLAGS) -c treeOperation.c + +sextet5.o : sextet5.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c sextet5.c + +mafft-distance.o : mafft-distance.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c mafft-distance.c + +triplet5.o : triplet5.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c triplet5.c + +triplet6.o : triplet6.c $(HEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c triplet6.c + +fft.o : fft.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c fft.c + +fftFunctions.o : fftFunctions.c $(HEADER) $(FFTHEADER) + $(CC) $(MYCFLAGS) -c fftFunctions.c + +Falign.o : Falign.c $(HEADER) $(FFTHEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c Falign.c + +Falign_localhom.o : Falign_localhom.c $(HEADER) $(FFTHEADER) $(MTXHEADER) + $(CC) $(MYCFLAGS) -c Falign_localhom.c + +mtxutl.o : mtxutl.c + $(CC) $(MYCFLAGS) -c mtxutl.c + +addfunctions.o : addfunctions.c $(HEADER) + $(CC) $(MYCFLAGS) -c addfunctions.c + +score.o : score.c $(HEADER) + $(CC) $(MYCFLAGS) -c score.c + +clean : + rm -f *.o *.a *.exe *~ $(PROGS) $(SCRIPTS) +# rm -f ../binaries/* ../scripts/* + +install : all + mkdir -p $(LIBDIR) + chmod 755 $(LIBDIR) + mkdir -p $(BINDIR) + chmod 755 $(BINDIR) + chmod 755 $(SCRIPTS) + $(INSTALL) $(SCRIPTS) $(BINDIR) + chmod 755 $(PROGS) + $(INSTALL) $(PROGS) $(LIBDIR) + $(INSTALL) -m 644 $(MANPAGES) $(LIBDIR) + + ( cd $(BINDIR); \ +rm -f linsi ginsi einsi fftns fftnsi nwns nwnsi xinsi qinsi; \ +rm -f mafft-linsi mafft-ginsi mafft-einsi mafft-fftns mafft-fftnsi mafft-nwns mafft-nwnsi mafft-xinsi mafft-qinsi; \ +ln -s mafft linsi; ln -s mafft ginsi; ln -s mafft fftns; \ +ln -s mafft fftnsi; ln -s mafft nwns; ln -s mafft nwnsi; \ +ln -s mafft einsi; \ +ln -s mafft mafft-linsi; ln -s mafft mafft-ginsi; ln -s mafft mafft-fftns; \ +ln -s mafft mafft-fftnsi; ln -s mafft mafft-nwns; ln -s mafft mafft-nwnsi; \ +ln -s mafft mafft-einsi; ln -s mafft mafft-xinsi; ln -s mafft mafft-qinsi;\ +rm -f mafft-profile mafft-profile.exe; ln -s $(LIBDIR)/mafft-profile .; \ +rm -f mafft-distance mafft-distance.exe; ln -s $(LIBDIR)/mafft-distance . ) + + mkdir -p $(MANDIR) + chmod 755 $(MANDIR) + $(INSTALL) -m 644 $(MANPAGES) $(MANDIR) +# remove incorrectly installed manpages by previous versions +# rm -f /usr/local/man/man1/mafft.1 /usr/local/man/man1/mafft-homologs.1 diff --git a/binaries/src/mafft/core/Qalignmm.c b/binaries/src/mafft/core/Qalignmm.c new file mode 100644 index 0000000..bc7167c --- /dev/null +++ b/binaries/src/mafft/core/Qalignmm.c @@ -0,0 +1,2181 @@ +#include "mltaln.h" +#include "dp.h" + +#define MACHIGAI 0 +#define OUTGAP0TRY 1 +#define DEBUG 0 +#define XXXXXXX 0 +#define USE_PENALTY_EX 0 +#define FASTMATCHCALC 1 + + + +static TLS float **impmtx = NULL; +static TLS int impalloclen = 0; +#if 1 // tditeration to naiveQscore_imp de tsukawareru. +float imp_match_out_scQ( int i1, int j1 ) +{ +// fprintf( stderr, "imp+match = %f\n", impmtx[i1][j1] * fastathreshold ); +// fprintf( stderr, "val = %f\n", impmtx[i1][j1] ); + return( impmtx[i1][j1] ); +} +#endif + +static void imp_match_out_veadQ_gapmap( float *imp, int i1, int lgth2, int *gapmap2 ) +{ +#if FASTMATCHCALC + float *pt = impmtx[i1]; + int *gapmappt = gapmap2; + while( lgth2-- ) + *imp++ += pt[*gapmappt++]; +#else + int j; + float *pt = impmtx[i1]; + for( j=0; jstart1 ); +// fprintf( stderr, "end1 = %d\n", tmpptr->end1 ); +// fprintf( stderr, "i = %d, seq1 = \n%s\n", i, seq1[i] ); +// fprintf( stderr, "j = %d, seq2 = \n%s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start1 ) break; + } + start1 = pt - seq1[i] - 1; + + if( tmpptr->start1 == tmpptr->end1 ) end1 = start1; + else + { +#if MACHIGAI + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( tmpint == tmpptr->end1 ) break; + if( *pt++ != '-' ) tmpint++; + } + end1 = pt - seq1[i] - 0; +#else + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end1 ) break; + } + end1 = pt - seq1[i] - 1; +#endif + } + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start2 ) break; + } + start2 = pt - seq2[j] - 1; + if( tmpptr->start2 == tmpptr->end2 ) end2 = start2; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end2 ) break; + if( *pt++ != '-' ) tmpint++; + } + end2 = pt - seq2[j] - 0; +#else + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end2 ) break; + } + end2 = pt - seq2[j] - 1; +#endif + } +// fprintf( stderr, "start1 = %d (%c), end1 = %d (%c), start2 = %d (%c), end2 = %d (%c)\n", start1, seq1[i][start1], end1, seq1[i][end1], start2, seq2[j][start2], end2, seq2[j][end2] ); +// fprintf( stderr, "step 0\n" ); + if( end1 - start1 != end2 - start2 ) + { +// fprintf( stderr, "CHUUI!!, start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + } + +#if 1 + k1 = start1; k2 = start2; + pt1 = seq1[i] + k1; + pt2 = seq2[j] + k2; + while( *pt1 && *pt2 ) + { + if( *pt1 != '-' && *pt2 != '-' ) + { +// ½Å¤ß¤òÆó½Å¤Ë¤«¤±¤Ê¤¤¤è¤¦¤ËÃí°Õ¤·¤Æ²¼¤µ¤¤¡£ +// impmtx[k1][k2] += tmpptr->wimportance * fastathreshold; +// impmtx[k1][k2] += tmpptr->importance * effij; + impmtx[k1][k2] += tmpptr->fimportance * effij; +// fprintf( stderr, "#### impmtx[k1][k2] = %f, tmpptr->fimportance=%f, effij=%f\n", impmtx[k1][k2], tmpptr->fimportance, effij ); +// fprintf( stderr, "mark, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); +// fprintf( stderr, "%d (%c) - %d (%c) - %f\n", k1, *pt1, k2, *pt2, tmpptr->fimportance * effij ); + k1++; k2++; + pt1++; pt2++; + } + else if( *pt1 != '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k2++; pt2++; + } + else if( *pt1 == '-' && *pt2 != '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + } + else if( *pt1 == '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + k2++; pt2++; + } + if( k1 > end1 || k2 > end2 ) break; + } +#else + while( k1 <= end1 && k2 <= end2 ) + { + fprintf( stderr, "k1,k2=%d,%d - ", k1, k2 ); + if( !nocount1[k1] && !nocount2[k2] ) + { + impmtx[k1][k2] += tmpptr->wimportance * eff1[i] * eff2[j] * fastathreshold; + fprintf( stderr, "marked\n" ); + } + else + fprintf( stderr, "no count\n" ); + k1++; k2++; + } +#endif + tmpptr = tmpptr->next; + } + } + } +#if 0 + if( clus1 == 1 && clus2 == 6 ) + { + fprintf( stderr, "\n" ); + fprintf( stderr, "seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "seq2[0] = %s\n", seq2[0] ); + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2-1 ) + *matchpt += scarr[*cpmxpdnpt++] * *cpmxpdpt++; + matchpt++; + } + } +#else + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; +// simple + if( initialize ) + { + int count = 0; + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} + +static void Atracking_localhom_gapmap( float *impwmpt, float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp, int icyc, int jcyc, + int *gapmap1, int *gapmap2 ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k; +// char gap[] = "-"; + char *gap; + float wm; + gap = newgapstr; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if 0 + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin == lgth1 || jin == lgth2 ) + ; + else + { + *impwmpt += imp_match_out_scQ( gapmap1[iin], gapmap2[jin] ); + +// fprintf( stderr, "impwm = %f (iin=%d, jin=%d) seq1=%c, seq2=%c\n", *impwmpt, iin, jin, seq1[0][iin], seq2[0][jin] ); + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = '-'; + *--gaptable2 = '-'; + k++; + iin = ifi; jin = jfi; + } + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin == lgth1 || jin == lgth2 ) + ; + else + { + *impwmpt += imp_match_out_scQ( iin, jin ); + +// fprintf( stderr, "impwm = %f (iin=%d, jin=%d) seq1=%c, seq2=%c\n", *impwmpt, iin, jin, seq1[0][iin], seq2[0][jin] ); + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +// float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; + fprintf( stderr, "fpenalty_ex = %f\n", fpenalty_ex ); +#endif +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS float *digf1; + static TLS float *digf2; + static TLS float *diaf1; + static TLS float *diaf2; + static TLS float *gapz1; + static TLS float *gapz2; + static TLS float *gapf1; + static TLS float *gapf2; + static TLS float *ogcp1g; + static TLS float *ogcp2g; + static TLS float *fgcp1g; + static TLS float *fgcp2g; + static TLS float *og_h_dg_n1_p; + static TLS float *og_h_dg_n2_p; + static TLS float *fg_h_dg_n1_p; + static TLS float *fg_h_dg_n2_p; + static TLS float *og_t_fg_h_dg_n1_p; + static TLS float *og_t_fg_h_dg_n2_p; + static TLS float *fg_t_og_h_dg_n1_p; + static TLS float *fg_t_og_h_dg_n2_p; + static TLS float *gapz_n1; + static TLS float *gapz_n2; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float tmppenal; + float *fg_t_og_h_dg_n2_p_pt; + float *og_t_fg_h_dg_n2_p_pt; + float *og_h_dg_n2_p_pt; + float *fg_h_dg_n2_p_pt; + float *gapz_n2_pt0; + float *gapz_n2_pt1; + float *fgcp2pt; + float *ogcp2pt; + float fg_t_og_h_dg_n1_p_va; + float og_t_fg_h_dg_n1_p_va; + float og_h_dg_n1_p_va; + float fg_h_dg_n1_p_va; + float gapz_n1_va0; + float gapz_n1_va1; + float fgcp1va; + float ogcp1va; + float kyokaipenal; +#if 1 + float fpenalty = (float)penalty; +#else + float fpenalty; + if( RNAscoremtx != 'r' ) fpenalty = (float)penalty; + else fpenalty = (float)penalty * 10; +#endif + +#if 0 + fprintf( stderr, "#### seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "#### seq2[0] = %s\n", seq2[0] ); +#endif + + + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); +#if 0 + if( lgth1 == 0 || lgth2 == 0 ) + { + fprintf( stderr, "WARNING (Aalignmm): lgth1=%d, lgth2=%d\n", lgth1, lgth2 ); + } +#endif + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( digf1 ); + FreeFloatVec( digf2 ); + FreeFloatVec( diaf1 ); + FreeFloatVec( diaf2 ); + FreeFloatVec( gapz1 ); + FreeFloatVec( gapz2 ); + FreeFloatVec( gapf1 ); + FreeFloatVec( gapf2 ); + FreeFloatVec( ogcp1g ); + FreeFloatVec( ogcp2g ); + FreeFloatVec( fgcp1g ); + FreeFloatVec( fgcp2g ); + FreeFloatVec( og_h_dg_n1_p ); + FreeFloatVec( og_h_dg_n2_p ); + FreeFloatVec( fg_h_dg_n1_p ); + FreeFloatVec( fg_h_dg_n2_p ); + FreeFloatVec( og_t_fg_h_dg_n1_p ); + FreeFloatVec( og_t_fg_h_dg_n2_p ); + FreeFloatVec( fg_t_og_h_dg_n1_p ); + FreeFloatVec( fg_t_og_h_dg_n2_p ); + FreeFloatVec( gapz_n1 ); + FreeFloatVec( gapz_n2 ); + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + digf1 = AllocateFloatVec( ll1+2 ); + digf2 = AllocateFloatVec( ll2+2 ); + diaf1 = AllocateFloatVec( ll1+2 ); + diaf2 = AllocateFloatVec( ll2+2 ); + gapz1 = AllocateFloatVec( ll1+2 ); + gapz2 = AllocateFloatVec( ll2+2 ); + gapf1 = AllocateFloatVec( ll1+2 ); + gapf2 = AllocateFloatVec( ll2+2 ); + ogcp1g = AllocateFloatVec( ll1+2 ); + ogcp2g = AllocateFloatVec( ll2+2 ); + fgcp1g = AllocateFloatVec( ll1+2 ); + fgcp2g = AllocateFloatVec( ll2+2 ); + og_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + og_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + fg_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + fg_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + og_t_fg_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + og_t_fg_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + fg_t_og_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + fg_t_og_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + gapz_n1 = AllocateFloatVec( ll1+2 ); + gapz_n2 = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 27 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + +#if 0 + { + float t = 0.0; + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + + + kyokaipenal = 0.0; + if( outgap == 1 ) + { + g = 0.0; + + g += ogcp1g[0] * og_h_dg_n2_p[0]; +// g += ogcp1g[0] * ( 1.0-ogcp2g[0]-digf2[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "init-match penal1=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); + + g += ogcp2g[0] * og_h_dg_n1_p[0]; +// g += ogcp2g[0] * ( 1.0-ogcp1g[0]-digf1[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "init-match penal2=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); + + g += fgcp1g[0] * fg_h_dg_n2_p[0]; +// g += fgcp1g[0] * ( 1.0-fgcp2g[0]-digf2[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "match penal1=%f, %c-%c\n", g, seq1[0][i], seq2[0][j] ); + + g += fgcp2g[0] * fg_h_dg_n1_p[0]; +// g += fgcp2g[0] * ( 1.0-fgcp1g[0]-digf1[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "match penal2=%f, %c-%c\n", g, seq1[0][i], seq2[0][j] ); + + kyokaipenal = g; + initverticalw[0] += g; + currentw[0] += g; + + for( i=1; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + tmppenal = gapz_n1_va1 * *fg_t_og_h_dg_n2_p_pt; +// tmppenal = gapz_n1[i+1] * fg_t_og_h_dg_n2_p[j]; +// tmppenal = ( (1.0-gapz1[i+1])*(1.0-fgcp2g[j]+ogcp2g[j]-digf2[j]) ) * 0.5 * fpenalty; // mada + if( (g=mi+tmppenal) > wm ) + { +// fprintf( stderr, "jump i start=%f (j=%d, fgcp2g[j]=%f, digf2[j]=%f, diaf2[j]=%f), %c-%c\n", g-mi, j, fgcp2g[j], digf2[j], diaf2[j], seq1[0][i], seq2[0][j] ); + wm = g; + *ijppt = -( j - mpi ); + } + tmppenal = gapz_n1_va0 * *og_t_fg_h_dg_n2_p_pt; +// tmppenal = gapz_n1[i] * og_t_fg_h_dg_n2_p[j]; +// tmppenal = ( (1.0-gapz1[i])*(1.0-ogcp2g[j]+fgcp2g[j]-digf2[j]) ) * 0.5 * fpenalty; // mada + if( (g=*prept+tmppenal) >= mi ) + { +// fprintf( stderr, "jump i end=%f, %c-%c\n", g-*prept, seq1[0][i-1], seq2[0][j-1] ); + mi = g; + mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + tmppenal = *gapz_n2_pt1 * fg_t_og_h_dg_n1_p_va; +// tmppenal = gapz_n2[j+1] * fg_t_og_h_dg_n1_p[i]; +// tmppenal = ( (1.0-gapz2[j+1])*(1.0-fgcp1g[i]+ogcp1g[i]-digf1[i]) ) * 0.5 * fpenalty; // mada + if( (g=*mjpt+tmppenal) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + tmppenal = *gapz_n2_pt0 * og_t_fg_h_dg_n1_p_va; +// tmppenal = gapz_n2[j] * og_t_fg_h_dg_n1_p[i]; +// tmppenal = ( (1.0-gapz2[j])*(1.0-ogcp1g[i]+fgcp1g[i]-digf1[i]) ) * 0.5 * fpenalty; // mada + if( (g=*prept+tmppenal) >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + + + + + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + fg_t_og_h_dg_n2_p_pt++; + og_t_fg_h_dg_n2_p_pt++; + og_h_dg_n2_p_pt++; + fg_h_dg_n2_p_pt++; + gapz_n2_pt0++; + gapz_n2_pt1++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +// float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; + fprintf( stderr, "fpenalty_ex = %f\n", fpenalty_ex ); +#endif +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS float *digf1; + static TLS float *digf2; + static TLS float *diaf1; + static TLS float *diaf2; + static TLS float *gapz1; + static TLS float *gapz2; + static TLS float *gapf1; + static TLS float *gapf2; + static TLS float *ogcp1g; + static TLS float *ogcp2g; + static TLS float *fgcp1g; + static TLS float *fgcp2g; + static TLS float *og_h_dg_n1_p; + static TLS float *og_h_dg_n2_p; + static TLS float *fg_h_dg_n1_p; + static TLS float *fg_h_dg_n2_p; + static TLS float *og_t_fg_h_dg_n1_p; + static TLS float *og_t_fg_h_dg_n2_p; + static TLS float *fg_t_og_h_dg_n1_p; + static TLS float *fg_t_og_h_dg_n2_p; + static TLS float *gapz_n1; + static TLS float *gapz_n2; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float tmppenal; + float *fg_t_og_h_dg_n2_p_pt; + float *og_t_fg_h_dg_n2_p_pt; + float *og_h_dg_n2_p_pt; + float *fg_h_dg_n2_p_pt; + float *gapz_n2_pt0; + float *gapz_n2_pt1; + float *fgcp2pt; + float *ogcp2pt; + float fg_t_og_h_dg_n1_p_va; + float og_t_fg_h_dg_n1_p_va; + float og_h_dg_n1_p_va; + float fg_h_dg_n1_p_va; + float gapz_n1_va0; + float gapz_n1_va1; + float fgcp1va; + float ogcp1va; + float kyokaipenal; + float fpenalty = (float)penalty; + +#if 0 + fprintf( stderr, "#### seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "#### seq2[0] = %s\n", seq2[0] ); +#endif + + + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); +#if 0 + if( lgth1 == 0 || lgth2 == 0 ) + { + fprintf( stderr, "WARNING (Aalignmm): lgth1=%d, lgth2=%d\n", lgth1, lgth2 ); + } +#endif + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( digf1 ); + FreeFloatVec( digf2 ); + FreeFloatVec( diaf1 ); + FreeFloatVec( diaf2 ); + FreeFloatVec( gapz1 ); + FreeFloatVec( gapz2 ); + FreeFloatVec( gapf1 ); + FreeFloatVec( gapf2 ); + FreeFloatVec( ogcp1g ); + FreeFloatVec( ogcp2g ); + FreeFloatVec( fgcp1g ); + FreeFloatVec( fgcp2g ); + FreeFloatVec( og_h_dg_n1_p ); + FreeFloatVec( og_h_dg_n2_p ); + FreeFloatVec( fg_h_dg_n1_p ); + FreeFloatVec( fg_h_dg_n2_p ); + FreeFloatVec( og_t_fg_h_dg_n1_p ); + FreeFloatVec( og_t_fg_h_dg_n2_p ); + FreeFloatVec( fg_t_og_h_dg_n1_p ); + FreeFloatVec( fg_t_og_h_dg_n2_p ); + FreeFloatVec( gapz_n1 ); + FreeFloatVec( gapz_n2 ); + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + digf1 = AllocateFloatVec( ll1+2 ); + digf2 = AllocateFloatVec( ll2+2 ); + diaf1 = AllocateFloatVec( ll1+2 ); + diaf2 = AllocateFloatVec( ll2+2 ); + gapz1 = AllocateFloatVec( ll1+2 ); + gapz2 = AllocateFloatVec( ll2+2 ); + gapf1 = AllocateFloatVec( ll1+2 ); + gapf2 = AllocateFloatVec( ll2+2 ); + ogcp1g = AllocateFloatVec( ll1+2 ); + ogcp2g = AllocateFloatVec( ll2+2 ); + fgcp1g = AllocateFloatVec( ll1+2 ); + fgcp2g = AllocateFloatVec( ll2+2 ); + og_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + og_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + fg_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + fg_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + og_t_fg_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + og_t_fg_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + fg_t_og_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + fg_t_og_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + gapz_n1 = AllocateFloatVec( ll1+2 ); + gapz_n2 = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 27 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + +#if 0 + { + float t = 0.0; + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + + + kyokaipenal = 0.0; + if( outgap == 1 ) + { + g = 0.0; + + g += ogcp1g[0] * og_h_dg_n2_p[0]; +// g += ogcp1g[0] * ( 1.0-ogcp2g[0]-digf2[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "init-match penal1=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); + + g += ogcp2g[0] * og_h_dg_n1_p[0]; +// g += ogcp2g[0] * ( 1.0-ogcp1g[0]-digf1[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "init-match penal2=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); + + g += fgcp1g[0] * fg_h_dg_n2_p[0]; +// g += fgcp1g[0] * ( 1.0-fgcp2g[0]-digf2[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "match penal1=%f, %c-%c\n", g, seq1[0][i], seq2[0][j] ); + + g += fgcp2g[0] * fg_h_dg_n1_p[0]; +// g += fgcp2g[0] * ( 1.0-fgcp1g[0]-digf1[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "match penal2=%f, %c-%c\n", g, seq1[0][i], seq2[0][j] ); + + kyokaipenal = g; + initverticalw[0] += g; + currentw[0] += g; + + for( i=1; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + tmppenal = gapz_n1_va1 * *fg_t_og_h_dg_n2_p_pt; +// tmppenal = gapz_n1[i+1] * fg_t_og_h_dg_n2_p[j]; +// tmppenal = ( (1.0-gapz1[i+1])*(1.0-fgcp2g[j]+ogcp2g[j]-digf2[j]) ) * 0.5 * fpenalty; // mada + if( (g=mi+tmppenal) > wm ) + { +// fprintf( stderr, "jump i start=%f (j=%d, fgcp2g[j]=%f, digf2[j]=%f, diaf2[j]=%f), %c-%c\n", g-mi, j, fgcp2g[j], digf2[j], diaf2[j], seq1[0][i], seq2[0][j] ); + wm = g; + *ijppt = -( j - mpi ); + } + tmppenal = gapz_n1_va0 * *og_t_fg_h_dg_n2_p_pt; +// tmppenal = gapz_n1[i] * og_t_fg_h_dg_n2_p[j]; +// tmppenal = ( (1.0-gapz1[i])*(1.0-ogcp2g[j]+fgcp2g[j]-digf2[j]) ) * 0.5 * fpenalty; // mada + if( (g=*prept+tmppenal) >= mi ) + { +// fprintf( stderr, "jump i end=%f, %c-%c\n", g-*prept, seq1[0][i-1], seq2[0][j-1] ); + mi = g; + mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + tmppenal = *gapz_n2_pt1 * fg_t_og_h_dg_n1_p_va; +// tmppenal = gapz_n2[j+1] * fg_t_og_h_dg_n1_p[i]; +// tmppenal = ( (1.0-gapz2[j+1])*(1.0-fgcp1g[i]+ogcp1g[i]-digf1[i]) ) * 0.5 * fpenalty; // mada + if( (g=*mjpt+tmppenal) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + tmppenal = *gapz_n2_pt0 * og_t_fg_h_dg_n1_p_va; +// tmppenal = gapz_n2[j] * og_t_fg_h_dg_n1_p[i]; +// tmppenal = ( (1.0-gapz2[j])*(1.0-ogcp1g[i]+fgcp1g[i]-digf1[i]) ) * 0.5 * fpenalty; // mada + if( (g=*prept+tmppenal) >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + + + + + + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + fg_t_og_h_dg_n2_p_pt++; + og_t_fg_h_dg_n2_p_pt++; + og_h_dg_n2_p_pt++; + fg_h_dg_n2_p_pt++; + gapz_n2_pt0++; + gapz_n2_pt1++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; istart1 ); +// fprintf( stderr, "end1 = %d\n", tmpptr->end1 ); +// fprintf( stderr, "i = %d, seq1 = \n%s\n", i, seq1[i] ); +// fprintf( stderr, "j = %d, seq2 = \n%s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start1 ) break; + } + start1 = pt - seq1[i] - 1; + + if( tmpptr->start1 == tmpptr->end1 ) end1 = start1; + else + { +#if MACHIGAI + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( tmpint == tmpptr->end1 ) break; + if( *pt++ != '-' ) tmpint++; + } + end1 = pt - seq1[i] - 0; +#else + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end1 ) break; + } + end1 = pt - seq1[i] - 1; +#endif + } + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start2 ) break; + } + start2 = pt - seq2[j] - 1; + if( tmpptr->start2 == tmpptr->end2 ) end2 = start2; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end2 ) break; + if( *pt++ != '-' ) tmpint++; + } + end2 = pt - seq2[j] - 0; +#else + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end2 ) break; + } + end2 = pt - seq2[j] - 1; +#endif + } +// fprintf( stderr, "start1 = %d (%c), end1 = %d (%c), start2 = %d (%c), end2 = %d (%c)\n", start1, seq1[i][start1], end1, seq1[i][end1], start2, seq2[j][start2], end2, seq2[j][end2] ); +// fprintf( stderr, "step 0\n" ); + if( end1 - start1 != end2 - start2 ) + { +// fprintf( stderr, "CHUUI!!, start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + } + +#if 1 + k1 = start1; k2 = start2; + pt1 = seq1[i] + k1; + pt2 = seq2[j] + k2; + while( *pt1 && *pt2 ) + { + if( *pt1 != '-' && *pt2 != '-' ) + { +// ½Å¤ß¤òÆó½Å¤Ë¤«¤±¤Ê¤¤¤è¤¦¤ËÃí°Õ¤·¤Æ²¼¤µ¤¤¡£ +// impmtx[k1][k2] += tmpptr->wimportance * fastathreshold; +// impmtx[k1][k2] += tmpptr->importance * effij; + impmtx[k1][k2] += tmpptr->fimportance * effij; +// fprintf( stderr, "#### impmtx[k1][k2] = %f, tmpptr->fimportance=%f, effij=%f\n", impmtx[k1][k2], tmpptr->fimportance, effij ); +// fprintf( stderr, "mark, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); +// fprintf( stderr, "%d (%c) - %d (%c) - %f\n", k1, *pt1, k2, *pt2, tmpptr->fimportance * effij ); + k1++; k2++; + pt1++; pt2++; + } + else if( *pt1 != '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k2++; pt2++; + } + else if( *pt1 == '-' && *pt2 != '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + } + else if( *pt1 == '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + k2++; pt2++; + } + if( k1 > end1 || k2 > end2 ) break; + } +#else + while( k1 <= end1 && k2 <= end2 ) + { + fprintf( stderr, "k1,k2=%d,%d - ", k1, k2 ); + if( !nocount1[k1] && !nocount2[k2] ) + { + impmtx[k1][k2] += tmpptr->wimportance * eff1[i] * eff2[j] * fastathreshold; + fprintf( stderr, "marked\n" ); + } + else + fprintf( stderr, "no count\n" ); + k1++; k2++; + } +#endif + tmpptr = tmpptr->next; + } + } + } +#if 0 + if( clus1 == 1 && clus2 == 6 ) + { + fprintf( stderr, "\n" ); + fprintf( stderr, "seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "seq2[0] = %s\n", seq2[0] ); + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2-1 ) + *matchpt += scarr[*cpmxpdnpt++] * *cpmxpdpt++; + matchpt++; + } + } +#else + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; +// simple + if( initialize ) + { + int count = 0; + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} + +static void Atracking_localhom( float *impwmpt, float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp, int icyc, int jcyc ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k; + float wm; + char *gaptable1, *gt1bk; + char *gaptable2, *gt2bk; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + gt1bk = AllocateCharVec( lgth1+lgth2+1 ); + gt2bk = AllocateCharVec( lgth1+lgth2+1 ); + +#if 0 + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin == lgth1 || jin == lgth2 ) + ; + else + { + *impwmpt += imp_match_out_scR( iin, jin ); + +// fprintf( stderr, "impwm = %f (iin=%d, jin=%d) seq1=%c, seq2=%c\n", *impwmpt, iin, jin, seq1[0][iin], seq2[0][jin] ); + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +// float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS float *digf1; + static TLS float *digf2; + static TLS float *diaf1; + static TLS float *diaf2; + static TLS float *gapz1; + static TLS float *gapz2; + static TLS float *gapf1; + static TLS float *gapf2; + static TLS float *ogcp1g; + static TLS float *ogcp2g; + static TLS float *fgcp1g; + static TLS float *fgcp2g; + static TLS float *ogcp1; + static TLS float *ogcp2; + static TLS float *fgcp1; + static TLS float *fgcp2; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float fpenalty = (float)penalty; + float tmppenal; + float cumpenal; + float *fgcp2pt; + float *ogcp2pt; + float fgcp1va; + float ogcp1va; + float kyokaipenal; + + + +#if 0 + fprintf( stderr, "#### seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "#### seq2[0] = %s\n", seq2[0] ); +#endif + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); +#if 0 + if( lgth1 == 0 || lgth2 == 0 ) + { + fprintf( stderr, "WARNING (Aalignmm): lgth1=%d, lgth2=%d\n", lgth1, lgth2 ); + } +#endif + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( digf1 ); + FreeFloatVec( digf2 ); + FreeFloatVec( diaf1 ); + FreeFloatVec( diaf2 ); + FreeFloatVec( gapz1 ); + FreeFloatVec( gapz2 ); + FreeFloatVec( gapf1 ); + FreeFloatVec( gapf2 ); + FreeFloatVec( ogcp1 ); + FreeFloatVec( ogcp2 ); + FreeFloatVec( fgcp1 ); + FreeFloatVec( fgcp2 ); + FreeFloatVec( ogcp1g ); + FreeFloatVec( ogcp2g ); + FreeFloatVec( fgcp1g ); + FreeFloatVec( fgcp2g ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + digf1 = AllocateFloatVec( ll1+2 ); + digf2 = AllocateFloatVec( ll2+2 ); + diaf1 = AllocateFloatVec( ll1+2 ); + diaf2 = AllocateFloatVec( ll2+2 ); + gapz1 = AllocateFloatVec( ll1+2 ); + gapz2 = AllocateFloatVec( ll2+2 ); + gapf1 = AllocateFloatVec( ll1+2 ); + gapf2 = AllocateFloatVec( ll2+2 ); + ogcp1 = AllocateFloatVec( ll1+2 ); + ogcp2 = AllocateFloatVec( ll2+2 ); + fgcp1 = AllocateFloatVec( ll1+2 ); + fgcp2 = AllocateFloatVec( ll2+2 ); + ogcp1g = AllocateFloatVec( ll1+2 ); + ogcp2g = AllocateFloatVec( ll2+2 ); + fgcp1g = AllocateFloatVec( ll1+2 ); + fgcp2g = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 27 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + +#if 0 + { + float t = 0.0; + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + + + kyokaipenal = 0.0; + if( outgap == 1 ) + { + g = 0.0; + + g += ogcp1g[0] * ( 1.0-ogcp2g[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "init-match penal1=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); + + g += ogcp2g[0] * ( 1.0-ogcp1g[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "init-match penal2=%f, %c-%c\n", g, seq1[0][0], seq2[0][0] ); + + g += fgcp1g[0] * ( 1.0-fgcp2g[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "match penal1=%f, %c-%c\n", g, seq1[0][i], seq2[0][j] ); + + g += fgcp2g[0] * ( 1.0-fgcp1g[0] ) * fpenalty * 0.5; +// if( g ) fprintf( stderr, "match penal2=%f, %c-%c\n", g, seq1[0][i], seq2[0][j] ); + + kyokaipenal = g; + initverticalw[0] += g; + currentw[0] += g; + + cumpenal = 0.0; + for( i=1; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif +// tmppenal = ( (1.0-gapz1[i+1])*(1.0-fgcp2g[j]+ogcp2g[j]-digf2[j]) ) * 0.5 * fpenalty; // mada +// tmppenal = ( (1.0-gapf1[i])*(1.0-fgcp2g[j]) + gapf1[i]*(1.0-digf2[j]-diaf2[j]) ) * 0.5 * fpenalty; // mada + tmppenal = ( (1.0-gapz1[i+1])*(1.0-fgcp2g[j]+ogcp2g[j]) + gapz1[i+1]*(1.0-digf2[j]-diaf2[j]) ) * 0.5 * fpenalty; // mada +// tmppenal = ( (1.0-gapf1[i])*(1.0-fgcp2g[j]+ogcp2g[j]) + gapf1[i]*(1.0-digf2[j]-diaf2[j]) ) * 0.5 * fpenalty; // mada +// tmppenal = 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf1[i])*(1.0-diaf2[j]) + gapf1[i] ) * 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf1[i])*fgcp2g[j] + gapf1[i] ) * 0.5 * fpenalty; +// tmppenal = *fgcp2pt-fpenalty*0.5*gapf1[i]; +// tmppenal = *fgcp2pt; + if( (g=mi+tmppenal) > wm ) + { +// fprintf( stderr, "jump i start=%f (j=%d, fgcp2g[j]=%f, digf2[j]=%f, diaf2[j]=%f), %c-%c\n", g-mi, j, fgcp2g[j], digf2[j], diaf2[j], seq1[0][i], seq2[0][j] ); + wm = g; + *ijppt = -( j - mpi ); + } +// tmppenal = ( (1.0-gapz1[i])*(1.0-ogcp2g[j]+fgcp2g[j]-digf2[j]) ) * 0.5 * fpenalty; // mada + tmppenal = ( (1.0-gapz1[i])*(1.0-ogcp2g[j]+fgcp2g[j]) + gapz1[i]*(1.0-digf2[j]-diaf2[j]) ) * 0.5 * fpenalty; // mada +// tmppenal = ( (1.0-gapf1[i-1])*(1.0-ogcp2g[j]+fgcp2g[j]) + gapf1[i-1]*(1.0-digf2[j]-diaf2[j]) ) * 0.5 * fpenalty; // mada +// tmppenal = *ogcp2pt-fpenalty*0.5*(gapf2[j-1]+gapf1[i-1]); +// tmppenal = 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf1[i-1])*(1.0-diaf2[j]) + gapf1[i-1] ) * 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf1[i-1])*ogcp2g[j] + gapf1[i-1] ) * 0.5 * fpenalty; +// tmppenal = *prept+*ogcp2pt; + if( (g=*prept+tmppenal) >= mi ) + { +// fprintf( stderr, "jump i end=%f, %c-%c\n", g-*prept, seq1[0][i-1], seq2[0][j-1] ); + mi = g; + mpi = j-1; + } + else if( j != 1 ) + { + mi += ( ogcp2g[j-0] + fgcp2g[j] ) * fpenalty * 0.5; // CHUUI honto ha iru +// fprintf( stderr, "%c%c/%c%c exp, og=%f,fg=%f\n", '=', '=', seq2[0][j-1], seq2[0][j], ogcp2g[j-0] * fpenalty*0.5, fgcp2g[j] * fpenalty*0.5 ); + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif +// tmppenal = ( (1.0-gapz2[j+1])*(1.0-fgcp1g[i]+ogcp1g[i]-digf1[i]) ) * 0.5 * fpenalty; // mada + tmppenal = ( (1.0-gapz2[j+1])*(1.0-fgcp1g[i]+ogcp1g[i]) + gapz2[j+1]*(1.0-digf1[i]-diaf1[i]) ) * 0.5 * fpenalty; // mada +// tmppenal = ( (1.0-gapf2[j])*(1.0-fgcp1g[i]+ogcp1g[i]) + gapf2[j]*(1.0-digf1[i]-diaf1[i]) ) * 0.5 * fpenalty; // mada +// tmppenal = ( (1.0-gapf2[j])*(1.0-fgcp1g[i]) + gapf2[j]*(1.0-digf1[i]-diaf1[i]) ) * 0.5 * fpenalty; // mada +// tmppenal = 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf2[j])*(1.0-diaf1[i]) + gapf2[j] ) * 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf2[j])*fgcp1g[i] + gapf2[j] ) * 0.5 * fpenalty; +// tmppenal = fgcp1va-fpenalty*0.5*gapf2[j]; +// tmppenal = fgcp1va; + if( (g=*mjpt+tmppenal) > wm ) + { +// if( seq1[0][i] == 'Y' && seq2[0][j] == 'B' ) +// fprintf( stderr, "jump j start=%f, %c-%c\n", g-*mjpt, seq1[0][i], seq2[0][j] ); + wm = g; + *ijppt = +( i - *mpjpt ); + } +// tmppenal = ( (1.0-gapz2[j])*(1.0-ogcp1g[i]+fgcp1g[i]-digf1[i]) ) * 0.5 * fpenalty; // mada + tmppenal = ( (1.0-gapz2[j])*(1.0-ogcp1g[i]+fgcp1g[i]) + gapz2[j]*(1.0-digf1[i]-diaf1[i]) ) * 0.5 * fpenalty; // mada +// tmppenal = ( (1.0-gapf2[j-1])*(1.0-ogcp1g[i]+fgcp1g[i]) + gapf2[j-1]*(1.0-digf1[i]-diaf1[i]) ) * 0.5 * fpenalty; // mada +// tmppenal = ( (1.0-gapf2[j-1])*(1.0-ogcp1g[i]) + gapf2[j-1]*(1.0-digf1[i]-diaf1[i]) ) * 0.5 * fpenalty; // mada +// tmppenal = ogcp1va-fpenalty*0.5*(gapf1[i-1]+gapf2[j-1]); +// tmppenal = 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf2[j-1]) * (1.0-diaf1[i]) + gapf2[j-1] ) * 0.5 * fpenalty; +// tmppenal -= ( (1.0-gapf2[j-1]) * ogcp1g[i] + gapf2[j-1] ) * 0.5 * fpenalty; +// tmppenal = 0.5 * fpenalty - ( (1.0-gapf2[j-1]) * (ogcp1g[i]) + gapf2[j-1] ) * ( 0.5 * fpenalty ); +// tmppenal = ogcp1va-fpenalty*0.5*gapf2[j-1]; +// tmppenal = ogcp1va; + if( (g=*prept+tmppenal) >= *mjpt ) + { +// if( seq1[0][i] == 'T' && seq2[0][j] == 'T' ) +// fprintf( stderr, "jump j end=%f, %c-%c\n", g-*prept, seq1[0][i-1], seq2[0][j-1] ); + *mjpt = g; + *mpjpt = i-1; + } + else if( i != 1 ) + { + m[j] += ( ogcp1g[i-0] + fgcp1g[i] ) * fpenalty * 0.5; // CHUUI honto ha iru +// fprintf( stderr, "%c%c/%c%c exp, og=%f,fg=%f\n", seq1[0][i-1], seq1[0][i], '=', '=', ogcp1g[i-0] * fpenalty*0.5, fgcp1g[i] * fpenalty*0.5 ); + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; i -1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +} + +static float Atracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp, int icyc, int jcyc ) +{ + int i, j, k, l, iin, jin, ifi, jfi, lgth1, lgth2; +// char gap[] = "-"; + char *gap; + float wm; + gap = newgapstr; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if DEBUG + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float x; + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *currentw; + static TLS float *previousw; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + +#if DEBUG + fprintf( stderr, "eff in SA+++align\n" ); + for( i=0; i orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( currentw ); + FreeFloatVec( previousw ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.1*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.1*lgth2), orlgth2 ) + 100; + + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); + + currentw = AllocateFloatVec( ll2+2 ); + previousw = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + + fprintf( stderr, "succeeded\n" ); + + orlgth1 = ll1; + orlgth2 = ll2; + } + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + + fprintf( stderr, "succeeded\n\n" ); + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + cpmx_calc( seq1, cpmx1, eff1, strlen( seq1[0] ), icyc ); + cpmx_calc( seq2, cpmx2, eff2, strlen( seq2[0] ), jcyc ); + + match_calc( initverticalw, cpmx2, cpmx1, 0, lgth1, floatwork, intwork, 1 ); + match_calc( currentw, cpmx1, cpmx2, 0, lgth2, floatwork, intwork, 1 ); + + if( outgap == 1 ) + { + for( i=1; i wm ) + { + wm = x; + ijp[i][j] = -( j - mpi ); + } + g = penalty * 0.5; + x = previousw[j-1] + g; + if( mi <= x ) + { + mi = x; + mpi = j-1; + } + + g = penalty * 0.5; + x = m[j] + g; + if( x > wm ) + { + wm = x; + ijp[i][j] = +( i - mp[j] ); + } + g = penalty * 0.5; + x = previousw[j-1] + g; + if( m[j] <= x ) + { + m[j] = x; + mp[j] = i-1; + } + currentw[j] += wm; + } + lastverticalw[i] = currentw[lgth2-1]; + } + /* + fprintf( stderr, "\n" ); + for( i=0; i" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + for( i=0; istart1 ); +// fprintf( stderr, "end1 = %d\n", tmpptr->end1 ); +// fprintf( stderr, "i = %d, seq1 = \n%s\n", i, seq1[i] ); +// fprintf( stderr, "j = %d, seq2 = \n%s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start1 ) break; + } + start1 = pt - seq1[i] - 1; + + if( tmpptr->start1 == tmpptr->end1 ) end1 = start1; + else + { +#if MACHIGAI + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( tmpint == tmpptr->end1 ) break; + if( *pt++ != '-' ) tmpint++; + } + end1 = pt - seq1[i] - 0; +#else + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end1 ) break; + } + end1 = pt - seq1[i] - 1; +#endif + } + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start2 ) break; + } + start2 = pt - seq2[j] - 1; + if( tmpptr->start2 == tmpptr->end2 ) end2 = start2; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end2 ) break; + if( *pt++ != '-' ) tmpint++; + } + end2 = pt - seq2[j] - 0; +#else + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end2 ) break; + } + end2 = pt - seq2[j] - 1; +#endif + } +// fprintf( stderr, "start1 = %d (%c), end1 = %d (%c), start2 = %d (%c), end2 = %d (%c)\n", start1, seq1[i][start1], end1, seq1[i][end1], start2, seq2[j][start2], end2, seq2[j][end2] ); +// fprintf( stderr, "step 0\n" ); + if( end1 - start1 != end2 - start2 ) + { +// fprintf( stderr, "CHUUI!!, start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + } + +#if 1 + k1 = start1; k2 = start2; + pt1 = seq1[i] + k1; + pt2 = seq2[j] + k2; + while( *pt1 && *pt2 ) + { + if( *pt1 != '-' && *pt2 != '-' ) + { +// ½Å¤ß¤òÆó½Å¤Ë¤«¤±¤Ê¤¤¤è¤¦¤ËÃí°Õ¤·¤Æ²¼¤µ¤¤¡£ +// impmtx[k1][k2] += tmpptr->wimportance * fastathreshold; +// impmtx[k1][k2] += tmpptr->importance * effij; +// impmtx[k1][k2] += tmpptr->fimportance * effij; + if( tmpptr->korh == 'k' ) + impmtx[k1][k2] += tmpptr->fimportance * effij_kozo; + else + impmtx[k1][k2] += tmpptr->fimportance * effij; + +// fprintf( stderr, "#### impmtx[k1][k2] = %f, tmpptr->fimportance=%f, effij=%f\n", impmtx[k1][k2], tmpptr->fimportance, effij ); +// fprintf( stderr, "mark, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); +// fprintf( stderr, "%d (%c) - %d (%c) - %f\n", k1, *pt1, k2, *pt2, tmpptr->fimportance * effij ); + k1++; k2++; + pt1++; pt2++; + } + else if( *pt1 != '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k2++; pt2++; + } + else if( *pt1 == '-' && *pt2 != '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + } + else if( *pt1 == '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + k2++; pt2++; + } + if( k1 > end1 || k2 > end2 ) break; + } +#else + while( k1 <= end1 && k2 <= end2 ) + { + fprintf( stderr, "k1,k2=%d,%d - ", k1, k2 ); + if( !nocount1[k1] && !nocount2[k2] ) + { + impmtx[k1][k2] += tmpptr->wimportance * eff1[i] * eff2[j] * fastathreshold; + fprintf( stderr, "marked\n" ); + } + else + fprintf( stderr, "no count\n" ); + k1++; k2++; + } +#endif + tmpptr = tmpptr->next; + } + } + } + +#if 0 + if( clus1 == 1 && clus2 == 1 ) + { + fprintf( stderr, "writing impmtx\n" ); + fprintf( stderr, "\n" ); + fprintf( stderr, "seq1[0] = %s\n", seq1[0] ); + fprintf( stderr, "seq2[0] = %s\n", seq2[0] ); + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2start1 ); + fprintf( stderr, "end1 = %d\n", localhom[i][j]->end1 ); + fprintf( stderr, "j = %d, seq2 = %s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->start1 ) break; + } + start1 = pt - seq1[i] - 1; + + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, localhom[i][j].end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->end1 ) break; + } + end1 = pt - seq1[i] - 1; + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->start2 ) break; + } + start2 = pt - seq2[j] - 1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->end2 ) break; + } + end2 = pt - seq2[j] - 1; +// fprintf( stderr, "start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + k1 = start1; + k2 = start2; + fprintf( stderr, "step 0\n" ); + while( k1 <= end1 && k2 <= end2 ) + { +#if 0 + if( !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] += localhom[i][j].wimportance * eff1[i] * eff2[j]; + k1++; k2++; +#else + if( !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] += localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; +#endif + } + + dif = ( end1 - start1 ) - ( end2 - start2 ); + fprintf( stderr, "dif = %d\n", dif ); + if( dif > 0 ) + { + do + { + fprintf( stderr, "dif = %d\n", dif ); + k1 = start1; + k2 = start2 - dif; + while( k1 <= end1 && k2 <= end2 ) + { + if( 0 <= k2 && start2 <= k2 && !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] = localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; + } + } + while( dif-- ); + } + else + { + do + { + k1 = start1 + dif; + k2 = start2; + while( k1 <= end1 ) + { + if( k1 >= 0 && k1 >= start1 && !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] = localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; + } + } + while( dif++ ); + } + } + } +#if 0 + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2-1 ) + *matchpt += scarr[*cpmxpdnpt++] * *cpmxpdpt++; + matchpt++; + } + } +#else + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; +// simple + if( initialize ) + { + int count = 0; + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} + +static void Atracking_localhom( float *impwmpt, float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp, int icyc, int jcyc ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k; + float wm; + char *gaptable1, *gt1bk; + char *gaptable2, *gt2bk; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + gt1bk = AllocateCharVec( lgth1+lgth2+1 ); + gt2bk = AllocateCharVec( lgth1+lgth2+1 ); + +#if 0 + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin == lgth1 || jin == lgth2 ) + ; + else + { + *impwmpt += imp_match_out_sc( iin, jin ); + +// fprintf( stderr, "impwm = %f (iin=%d, jin=%d) seq1=%c, seq2=%c\n", *impwmpt, iin, jin, seq1[0][iin], seq2[0][jin] ); + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin == lgth1 || jin == lgth2 ) + ; + else + { + *impwmpt += imp_match_out_sc( gapmap1[iin], gapmap2[jin] ); + +// fprintf( stderr, "impwm = %f (iin=%d, jin=%d) seq1=%c, seq2=%c\n", *impwmpt, iin, jin, seq1[0][iin], seq2[0][jin] ); + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = '-'; + *--gaptable2 = '-'; + k++; + iin = ifi; jin = jfi; + } + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + *--gaptable1 = 'o'; + *--gaptable2 = '-'; + k++; + } + l= jin - jfi; + while( --l ) + { + *--gaptable1 = '-'; + *--gaptable2 = 'o'; + k++; + } + if( iin <= 0 || jin <= 0 ) break; + *--gaptable1 = 'o'; + *--gaptable2 = 'o'; + k++; + iin = ifi; jin = jfi; + } + + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +// float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS float *ogcp1; + static TLS float *ogcp2; + static TLS float *fgcp1; + static TLS float *fgcp2; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float fpenalty = (float)penalty; + float *fgcp2pt; + float *ogcp2pt; + float fgcp1va; + float ogcp1va; + + + if( seq1 == NULL ) + { + if( orlgth1 ) + { +// fprintf( stderr, "## Freeing local arrays in A__align\n" ); + orlgth1 = 0; + orlgth2 = 0; + + imp_match_init_strict( NULL, 0, 0, 0, 0, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0 ); + + free( mseq1 ); + free( mseq2 ); + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( ogcp1 ); + FreeFloatVec( ogcp2 ); + FreeFloatVec( fgcp1 ); + FreeFloatVec( fgcp2 ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + + } + else + { +// fprintf( stderr, "## Not allocated\n" ); + } + return( 0.0 ); + } + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); +#if 1 + if( lgth1 == 0 || lgth2 == 0 ) + { + fprintf( stderr, "WARNING (Aalignmm): lgth1=%d, lgth2=%d\n", lgth1, lgth2 ); + } + if( lgth1 == 0 && lgth2 == 0 ) + return( 0.0 ); + + if( lgth1 == 0 ) + { + for( i=0; i orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( ogcp1 ); + FreeFloatVec( ogcp2 ); + FreeFloatVec( fgcp1 ); + FreeFloatVec( fgcp2 ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + ogcp1 = AllocateFloatVec( ll1+2 ); + ogcp2 = AllocateFloatVec( ll2+2 ); + fgcp1 = AllocateFloatVec( ll1+2 ); + fgcp2 = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 27 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + +#if 0 + { + float t = 0.0; + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + if( headgp == 1 ) + { + for( i=1; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+*fgcp2pt) > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + if( (g=*prept+*ogcp2pt) >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt+fgcp1va) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + if( (g=*prept+ogcp1va) >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +// fprintf( stderr, "wm = %f\n", wm ); + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +// float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS float *ogcp1; + static TLS float *ogcp2; + static TLS float *fgcp1; + static TLS float *fgcp2; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float *fgcp2pt; + float *ogcp2pt; + float fgcp1va; + float ogcp1va; + + +#if 0 + fprintf( stderr, "eff in SA+++align\n" ); + for( i=0; i orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( ogcp1 ); + FreeFloatVec( ogcp2 ); + FreeFloatVec( fgcp1 ); + FreeFloatVec( fgcp2 ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + ogcp1 = AllocateFloatVec( ll1+2 ); + ogcp2 = AllocateFloatVec( ll2+2 ); + fgcp1 = AllocateFloatVec( ll1+2 ); + fgcp2 = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 26 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 27, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + cpmx_calc_new( seq1, cpmx1, eff1, strlen( seq1[0] ), icyc ); + cpmx_calc_new( seq2, cpmx2, eff2, strlen( seq2[0] ), jcyc ); + + st_OpeningGapCount( ogcp1, icyc, seq1, eff1, lgth1 ); + st_OpeningGapCount( ogcp2, jcyc, seq2, eff2, lgth2 ); + st_FinalGapCount( fgcp1, icyc, seq1, eff1, lgth1 ); + st_FinalGapCount( fgcp2, jcyc, seq2, eff2, lgth2 ); + + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + if( 1 ) // tsuneni outgap=1 + { + for( i=1; i", wm ); +#endif + g = mi + *fgcp2pt; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + *ogcp2pt; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fgcp1va; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + ogcp1va; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; i-1; i++ ) + { + mar[k] = 1; +// fprintf( stderr, "excluding %d\n", ex1[i] ); + } + for( i=0; (k=ex2[i])>-1; i++ ) + { + mar[k] = 1; +// fprintf( stderr, "excluding %d\n", ex2[i] ); + } + + for( i=0; i-1; ) + { + if( mem[i++] != cand[j++] ) return( 0 ); + } + + if( cand[j] == -1 ) + { + return( 1 ); + } + else + { + return( 0 ); + } +} +#else +int samemember( int *mem, int *cand ) +{ + int i, j; + int nm, nc; +#if 0 + fprintf( stderr, "mem = " ); + for( i=0; mem[i]>-1; i++ ) fprintf( stderr, "%d ", mem[i] ); + fprintf( stderr, "\n" ); + + fprintf( stderr, "cand = " ); + for( i=0; cand[i]>-1; i++ ) fprintf( stderr, "%d ", cand[i] ); + fprintf( stderr, "\n" ); +#endif + + nm = 0; for( i=0; mem[i]>-1; i++ ) nm++; + nc = 0; for( i=0; cand[i]>-1; i++ ) nc++; + + if( nm != nc ) return( 0 ); + + for( i=0; mem[i]>-1; i++ ) + { + for( j=0; cand[j]>-1; j++ ) + if( mem[i] == cand[j] ) break; + if( cand[j] == -1 ) return( 0 ); + } + + if( mem[i] == -1 ) + { + return( 1 ); + } + else + { + return( 0 ); + } +} +#endif + + +int includemember( int *mem, int *cand ) // mem in cand +{ + int i, j; + +#if 0 + fprintf( stderr, "mem = " ); + for( i=0; mem[i]>-1; i++ ) fprintf( stderr, "%d ", mem[i] ); + fprintf( stderr, "\n" ); + + fprintf( stderr, "cand = " ); + for( i=0; cand[i]>-1; i++ ) fprintf( stderr, "%d ", cand[i] ); + fprintf( stderr, "\n" ); +#endif + + for( i=0; mem[i]>-1; i++ ) + { + for( j=0; cand[j]>-1; j++ ) + if( mem[i] == cand[j] ) break; + if( cand[j] == -1 ) return( 0 ); + } +// fprintf( stderr, "INCLUDED! mem[0]=%d\n", mem[0] ); + return( 1 ); +} diff --git a/binaries/src/mafft/core/blosum.c b/binaries/src/mafft/core/blosum.c new file mode 100644 index 0000000..62652e5 --- /dev/null +++ b/binaries/src/mafft/core/blosum.c @@ -0,0 +1,266 @@ +#define DEFAULTGOP_B -1530 +#define DEFAULTGEP_B -00 +#define DEFAULTOFS_B -123 /* +10 -- -50 teido ka ? */ + +void BLOSUMmtx( int n, double **matrix, double *freq, char *amino, char *amino_grp ) +{ + /* + char locaminod[26] = "GASTPLIMVDNEQFYWKRHCXXX.-U"; + */ +// char locaminod[] = "ARNDCQEGHILKMFPSTWYVBZX.-U"; + char locaminod[] = "ARNDCQEGHILKMFPSTWYVBZX.-J"; + char locgrpd[] = + { + 0, 3, 2, 2, 5, 2, 2, 0, 3, 1, 1, 3, 1, 4, 0, 0, 0, 4, 4, 1, 2, 2, + 6, 6, 6, 1, + }; + double freqd[20] = + { + 0.077, + 0.051, + 0.043, + 0.052, + 0.020, + 0.041, + 0.062, + 0.074, + 0.023, + 0.052, + 0.091, + 0.059, + 0.024, + 0.040, + 0.051, + 0.069, + 0.059, + 0.014, + 0.032, + 0.066, + }; + + double tmpmtx30[] = + { + 4, + -1, 8, + 0, -2, 8, + 0, -1, 1, 9, + -3, -2, -1, -3, 17, + 1, 3, -1, -1, -2, 8, + 0, -1, -1, 1, 1, 2, 6, + 0, -2, 0, -1, -4, -2, -2, 8, + -2, -1, -1, -2, -5, 0, 0, -3, 14, + 0, -3, 0, -4, -2, -2, -3, -1, -2, 6, + -1, -2, -2, -1, 0, -2, -1, -2, -1, 2, 4, + 0, 1, 0, 0, -3, 0, 2, -1, -2, -2, -2, 4, + 1, 0, 0, -3, -2, -1, -1, -2, 2, 1, 2, 2, 6, + -2, -1, -1, -5, -3, -3, -4, -3, -3, 0, 2, -1, -2, 10, + -1, -1, -3, -1, -3, 0, 1, -1, 1, -3, -3, 1, -4, -4, 11, + 1, -1, 0, 0, -2, -1, 0, 0, -1, -1, -2, 0, -2, -1, -1, 4, + 1, -3, 1, -1, -2, 0, -2, -2, -2, 0, 0, -1, 0, -2, 0, 2, 5, + -5, 0, -7, -4, -2, -1, -1, 1, -5, -3, -2, -2, -3, 1, -3, -3, -5, 20, + -4, 0, -4, -1, -6, -1, -2, -3, 0, -1, 3, -1, -1, 3, -2, -2, -1, 5, 9, + 1, -1, -2, -2, -2, -3, -3, -3, -3, 4, 1, -2, 0, 1, -4, -1, 1, -3, 1, 5, + 0, -2, 4, 5, -2, -1, 0, 0, -2, -2, -1, 0, -2, -3, -2, 0, 0, -5, -3, -2, 5, + 0, 0, -1, 0, 0, 4, 5, -2, 0, -3, -1, 1, -1, -4, 0, -1, -1, -1, -2, -3, 0, 4, + 0, -1, 0, -1, -2, 0, -1, -1, -1, 0, 0, 0, 0, -1, -1, 0, 0, -2, -1, 0, -1, 0, -1, + }; + + double tmpmtx45[] = + { + 5, + -2, 7, + -1, 0, 6, + -2, -1, 2, 7, + -1, -3, -2, -3, 12, + -1, 1, 0, 0, -3, 6, + -1, 0, 0, 2, -3, 2, 6, + 0, -2, 0, -1, -3, -2, -2, 7, + -2, 0, 1, 0, -3, 1, 0, -2, 10, + -1, -3, -2, -4, -3, -2, -3, -4, -3, 5, + -1, -2, -3, -3, -2, -2, -2, -3, -2, 2, 5, + -1, 3, 0, 0, -3, 1, 1, -2, -1, -3, -3, 5, + -1, -1, -2, -3, -2, 0, -2, -2, 0, 2, 2, -1, 6, + -2, -2, -2, -4, -2, -4, -3, -3, -2, 0, 1, -3, 0, 8, + -1, -2, -2, -1, -4, -1, 0, -2, -2, -2, -3, -1, -2, -3, 9, + 1, -1, 1, 0, -1, 0, 0, 0, -1, -2, -3, -1, -2, -2, -1, 4, + 0, -1, 0, -1, -1, -1, -1, -2, -2, -1, -1, -1, -1, -1, -1, 2, 5, + -2, -2, -4, -4, -5, -2, -3, -2, -3, -2, -2, -2, -2, 1, -3, -4, -3, 15, + -2, -1, -2, -2, -3, -1, -2, -3, 2, 0, 0, -1, 0, 3, -3, -2, -1, 3, 8, + 0, -2, -3, -3, -1, -3, -3, -3, -3, 3, 1, -2, 1, 0, -3, -1, 0, -3, -1, 5, + }; + double tmpmtx50[] = + { + 5, + -2, 7, + -1, -1, 7, + -2, -2, 2, 8, + -1, -4, -2, -4, 13, + -1, 1, 0, 0, -3, 7, + -1, 0, 0, 2, -3, 2, 6, + 0, -3, 0, -1, -3, -2, -3, 8, + -2, 0, 1, -1, -3, 1, 0, -2, 10, + -1, -4, -3, -4, -2, -3, -4, -4, -4, 5, + -2, -3, -4, -4, -2, -2, -3, -4, -3, 2, 5, + -1, 3, 0, -1, -3, 2, 1, -2, 0, -3, -3, 6, + -1, -2, -2, -4, -2, 0, -2, -3, -1, 2, 3, -2, 7, + -3, -3, -4, -5, -2, -4, -3, -4, -1, 0, 1, -4, 0, 8, + -1, -3, -2, -1, -4, -1, -1, -2, -2, -3, -4, -1, -3, -4, 10, + 1, -1, 1, 0, -1, 0, -1, 0, -1, -3, -3, 0, -2, -3, -1, 5, + 0, -1, 0, -1, -1, -1, -1, -2, -2, -1, -1, -1, -1, -2, -1, 2, 5, + -3, -3, -4, -5, -5, -1, -3, -3, -3, -3, -2, -3, -1, 1, -4, -4, -3, 15, + -2, -1, -2, -3, -3, -1, -2, -3, 2, -1, -1, -2, 0, 4, -3, -2, -2, 2, 8, + 0, -3, -3, -4, -1, -3, -3, -4, -4, 4, 1, -3, 1, -1, -3, -2, 0, -3, -1, 5, + }; + double tmpmtx62[] = + { + 6, + -2, 8, + -2, -1, 8, + -3, -2, 2, 9, + -1, -5, -4, -5, 13, + -1, 1, 0, 0, -4, 8, + -1, 0, 0, 2, -5, 3, 7, + 0, -3, -1, -2, -4, -3, -3, 8, + -2, 0, 1, -2, -4, 1, 0, -3, 11, + -2, -4, -5, -5, -2, -4, -5, -6, -5, 6, + -2, -3, -5, -5, -2, -3, -4, -5, -4, 2, 6, + -1, 3, 0, -1, -5, 2, 1, -2, -1, -4, -4, 7, + -1, -2, -3, -5, -2, -1, -3, -4, -2, 2, 3, -2, 8, + -3, -4, -4, -5, -4, -5, -5, -5, -2, 0, 1, -5, 0, 9, + -1, -3, -3, -2, -4, -2, -2, -3, -3, -4, -4, -2, -4, -5, 11, + 2, -1, 1, 0, -1, 0, 0, 0, -1, -4, -4, 0, -2, -4, -1, 6, + 0, -2, 0, -2, -1, -1, -1, -2, -3, -1, -2, -1, -1, -3, -2, 2, 7, + -4, -4, -6, -6, -3, -3, -4, -4, -4, -4, -2, -4, -2, 1, -5, -4, -4, 16, + -3, -3, -3, -5, -4, -2, -3, -5, 3, -2, -2, -3, -1, 4, -4, -3, -2, 3, 10, + 0, -4, -4, -5, -1, -3, -4, -5, -5, 4, 1, -3, 1, -1, -4, -2, 0, -4, -2, 6, + }; + double tmpmtx80[] = + { + 7, + -3, 9, + -3, -1, 9, + -3, -3, 2, 10, + -1, -6, -5, -7, 13, + -2, 1, 0, -1, -5, 9, + -2, -1, -1, 2, -7, 3, 8, + 0, -4, -1, -3, -6, -4, -4, 9, + -3, 0, 1, -2, -7, 1, 0, -4, 12, + -3, -5, -6, -7, -2, -5, -6, -7, -6, 7, + -3, -4, -6, -7, -3, -4, -6, -7, -5, 2, 6, + -1, 3, 0, -2, -6, 2, 1, -3, -1, -5, -4, 8, + -2, -3, -4, -6, -3, -1, -4, -5, -4, 2, 3, -3, 9, + -4, -5, -6, -6, -4, -5, -6, -6, -2, -1, 0, -5, 0, 10, + -1, -3, -4, -3, -6, -3, -2, -5, -4, -5, -5, -2, -4, -6, 12, + 2, -2, 1, -1, -2, -1, -1, -1, -2, -4, -4, -1, -3, -4, -2, 7, + 0, -2, 0, -2, -2, -1, -2, -3, -3, -2, -3, -1, -1, -4, -3, 2, 8, + -5, -5, -7, -8, -5, -4, -6, -6, -4, -5, -4, -6, -3, 0, -7, -6, -5, 16, + -4, -4, -4, -6, -5, -3, -5, -6, 3, -3, -2, -4, -3, 4, -6, -3, -3, 3, 11, + -1, -4, -5, -6, -2, -4, -4, -6, -5, 4, 1, -4, 1, -2, -4, -3, 0, -5, -3, 7, + }; + double tmpmtx0[] = + { + 2.4, + -0.6, 4.7, + -0.3, 0.3, 3.8, + -0.3, -0.3, 2.2, 4.7, + 0.5, -2.2, -1.8, -3.2, 11.5, + -0.2, 1.5, 0.7, 0.9, -2.4, 2.7, + 0.0, 0.4, 0.9, 2.7, -3.0, 1.7, 3.6, + 0.5, -1.0, 0.4, 0.1, -2.0, -1.0, -0.8, 6.6, + -0.8, 0.6, 1.2, 0.4, -1.3, 1.2, 0.4, -1.4, 6.0, + -0.8, -2.4, -2.8, -3.8, -1.1, -1.9, -2.7, -4.5, -2.2, 4.0, + -1.2, -2.2, -3.0, -4.0, -1.5, -1.6, -2.8, -4.4, -1.9, 2.8, 4.0, + -0.4, 2.7, 0.8, 0.5, -2.8, 1.5, 1.2, -1.1, 0.6, -2.1, -2.1, 3.2, + -0.7, -1.7, -2.2, -3.0, -0.9, -1.0, -2.0, -3.5, -1.3, 2.5, 2.8, -1.4, 4.3, + -2.3, -3.2, -3.1, -4.5, -0.8, -2.6, -3.9, -5.2, -0.1, 1.0, 2.0, -3.3, 1.6, 7.0, + 0.3, -0.9, -0.9, -0.7, -3.1, -0.2, -0.5, -1.6, -1.1, -2.6, -2.3, -0.6, -2.4, -3.8, 7.6, + 1.1, -0.2, 0.9, 0.5, 0.1, 0.2, 0.2, 0.4, -0.2, -1.8, -2.1, 0.1, -1.4, -2.8, 0.4, 2.2, + 0.6, -0.2, 0.5, 0.0, -0.5, 0.0, -0.1, -1.1, -0.3, -0.6, -1.3, 0.1, -0.6, -2.2, 0.1, 1.5, 2.5, + -3.6, -1.6, -3.6, -5.2, -1.0, -2.7, -4.3, -4.0, -0.8, -1.8, -0.7, -3.5, -1.0, 3.6, -5.0, -3.3, -3.5, 14.2, + -2.2, -1.8, -1.4, -2.8, -0.5, -1.7, -2.7, -4.0, 2.2, -0.7, 0.0, -2.1, -0.2, 5.1, -3.1, -1.9, -1.9, 4.1, 7.8, + 0.1, -2.0, -2.2, -2.9, 0.0, -1.5, -1.9, -3.3, -2.0, 3.1, 1.8, -1.7, 1.6, 0.1, -1.8, -1.0, 0.0, -2.6, -1.1, 3.4, + }; + + int i, j, count; + double av; + double *tmpmtx; + + if( n == 30 ) tmpmtx = tmpmtx30; + else if( n == 45 ) tmpmtx = tmpmtx45; + else if( n == 50 ) tmpmtx = tmpmtx50; + else if( n == 62 ) tmpmtx = tmpmtx62; + else if( n == 80 ) tmpmtx = tmpmtx80; + else if( n == 0 ) tmpmtx = tmpmtx0; + else if( n == -1 ) tmpmtx = loadaamtx(); + else + { + fprintf( stderr, "blosum %d ?\n", n ); + exit( 1 ); + } + + count = 0; + for( i=0; i<20; i++ ) + { + for( j=0; j<=i; j++ ) + { + matrix[i][j] = matrix[j][i] = (double)tmpmtx[count++]; + } + } + if( n == -1 && tmpmtx[400] != -1.0 ) + { + for( i=0; i<20; i++ ) freq[i] = tmpmtx[400+i]; + av = 0.0; + for( i=0; i<20; i++ ) av += freq[i]; + for( i=0; i<20; i++ ) freq[i] /= av; + } + else + for( i=0; i<20; i++ ) freq[i] = freqd[i]; + +#if 0 + av = 0.0; + for( i=0; i<20; i++ ) + av += matrix[i][i]; + av /= 20; + fprintf( stdout, "av = %f\n", av ); + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + matrix[i][j] /= av; + + av = wav = 0; + count = 0; + wcount = 0.0; + tmptmp = 0.0; + for( i=0; i<20; i++ ) + { + fprintf( stdout, "freq[%d] = %f\n", i, freq[i] ); + tmptmp += freq[i]; + for( j=0; j<20; j++ ) + { + av += matrix[i][j]; + wav += freq[i] * freq[j] * matrix[i][j]; + count++; + wcount += freq[i] * freq[j]; + } + } + + av /= count; + wav /= wcount; + fprintf( stdout, "av = %f\n", av ); + fprintf( stdout, "wav = %f\n", wav ); + fprintf( stdout, "wcount = %f\n", wcount ); + fprintf( stdout, "tmptmp = %f\n", tmptmp ); + + for( i=0; i<20; i++ ) + { + for( j=0; j<=i; j++ ) + { + fprintf( stderr, "## %d-%d, %f\n", i, j, matrix[i][j] ); + } + } + + exit( 1 ); +#endif + + for( i=0; i<26; i++ ) amino[i] = locaminod[i]; + for( i=0; i<26; i++ ) amino_grp[(int)amino[i]] = locgrpd[i]; +} diff --git a/binaries/src/mafft/core/blosum.h b/binaries/src/mafft/core/blosum.h new file mode 100644 index 0000000..9b7c068 --- /dev/null +++ b/binaries/src/mafft/core/blosum.h @@ -0,0 +1,11 @@ +/* +int locpenaltyd = -2400; +int locoffsetd = -60; +char locaminod[26] = "GASTPLIMVDNEQFYWKRHCXXX.-U"; +char locaminod[] = "ARNDCQEGHILKMFPSTWYVBZX.-U"; +char locgrpd[] = +{ + 0, 3, 2, 2, 5, 2, 2, 0, 3, 1, 1, 3, 1, 4, 0, 0, 0, 4, 4, 1, 2, 2, + 6, 6, 6, 6, +}; +*/ diff --git a/binaries/src/mafft/core/constants.c b/binaries/src/mafft/core/constants.c new file mode 100644 index 0000000..efc06dc --- /dev/null +++ b/binaries/src/mafft/core/constants.c @@ -0,0 +1,1037 @@ +#include "mltaln.h" +#include "miyata.h" +#include "miyata5.h" +#include "DNA.h" + +#include "JTT.c" +#include "blosum.c" + +#define DEBUG 0 +#define TEST 0 + +#define NORMALIZE1 1 + +static int shishagonyuu( double in ) +{ + int out; + if ( in > 0.0 ) out = ( (int)( in + 0.5 ) ); + else if( in == 0.0 ) out = ( 0 ); + else if( in < 0.0 ) out = ( (int)( in - 0.5 ) ); + else out = 0; + return( out ); +} + +static void calcfreq_nuc( int nseq, char **seq, double *datafreq ) +{ + int i, j, l; + int aan; + double total; + for( i=0; i<4; i++ ) + datafreq[i] = 0.0; + total = 0.0; + for( i=0; i= 0 && aan < 4 ) + { + datafreq[aan] += 1.0; + total += 1.0; + } + } + } + for( i=0; i<4; i++ ) + if( datafreq[i] < 0.0001 ) datafreq[i] = 0.0001; + + + total = 0.0; for( i=0; i<4; i++ ) total += datafreq[i]; +// fprintf( stderr, "total = %f\n", total ); + for( i=0; i<4; i++ ) datafreq[i] /= (double)total; + +#if 0 + fprintf( stderr, "\ndatafreq = " ); + for( i=0; i<4; i++ ) + fprintf( stderr, "%10.5f ", datafreq[i] ); + fprintf( stderr, "\n" ); + exit( 1 ); +#endif +} + +static void calcfreq( int nseq, char **seq, double *datafreq ) +{ + int i, j, l; + int aan; + double total; + for( i=0; i<20; i++ ) + datafreq[i] = 0.0; + total = 0.0; + for( i=0; i= 0 && aan < 20 ) + { + datafreq[aan] += 1.0; + total += 1.0; + } + } + } + for( i=0; i<20; i++ ) + if( datafreq[i] < 0.0001 ) datafreq[i] = 0.0001; + + fprintf( stderr, "datafreq = \n" ); + for( i=0; i<20; i++ ) + fprintf( stderr, "%f\n", datafreq[i] ); + + total = 0.0; for( i=0; i<20; i++ ) total += datafreq[i]; + fprintf( stderr, "total = %f\n", total ); + for( i=0; i<20; i++ ) datafreq[i] /= (double)total; +} + +void constants( int nseq, char **seq ) +{ + int i, j, x; +// double tmp; + + if( dorp == 'd' ) /* DNA */ + { + int k, m; + double average; + double **pamx = AllocateDoubleMtx( 11,11 ); + double **pam1 = AllocateDoubleMtx( 4, 4 ); + double *freq = AllocateDoubleVec( 4 ); + + + scoremtx = -1; + if( RNAppenalty == NOTSPECIFIED ) RNAppenalty = DEFAULTRNAGOP_N; + if( RNAppenalty_ex == NOTSPECIFIED ) RNAppenalty_ex = DEFAULTRNAGEP_N; + if( ppenalty == NOTSPECIFIED ) ppenalty = DEFAULTGOP_N; + if( ppenalty_OP == NOTSPECIFIED ) ppenalty_OP = DEFAULTGOP_N; + if( ppenalty_ex == NOTSPECIFIED ) ppenalty_ex = DEFAULTGEP_N; + if( ppenalty_EX == NOTSPECIFIED ) ppenalty_EX = DEFAULTGEP_N; + if( poffset == NOTSPECIFIED ) poffset = DEFAULTOFS_N; + if( RNApthr == NOTSPECIFIED ) RNApthr = DEFAULTRNATHR_N; + if( pamN == NOTSPECIFIED ) pamN = DEFAULTPAMN; + if( kimuraR == NOTSPECIFIED ) kimuraR = 2; + + RNApenalty = (int)( 3 * 600.0 / 1000.0 * RNAppenalty + 0.5 ); + RNApenalty_ex = (int)( 3 * 600.0 / 1000.0 * RNAppenalty_ex + 0.5 ); +// fprintf( stderr, "DEFAULTRNAGOP_N = %d\n", DEFAULTRNAGOP_N ); +// fprintf( stderr, "RNAppenalty = %d\n", RNAppenalty ); +// fprintf( stderr, "RNApenalty = %d\n", RNApenalty ); + + + RNAthr = (int)( 3 * 600.0 / 1000.0 * RNApthr + 0.5 ); + penalty = (int)( 3 * 600.0 / 1000.0 * ppenalty + 0.5); + penalty_OP = (int)( 3 * 600.0 / 1000.0 * ppenalty_OP + 0.5); + penalty_ex = (int)( 3 * 600.0 / 1000.0 * ppenalty_ex + 0.5); + penalty_EX = (int)( 3 * 600.0 / 1000.0 * ppenalty_EX + 0.5); + offset = (int)( 3 * 600.0 / 1000.0 * poffset + 0.5); + offsetFFT = (int)( 3 * 600.0 / 1000.0 * (-0) + 0.5); + offsetLN = (int)( 3 * 600.0 / 1000.0 * 100 + 0.5); + penaltyLN = (int)( 3 * 600.0 / 1000.0 * -2000 + 0.5); + penalty_exLN = (int)( 3 * 600.0 / 1000.0 * -100 + 0.5); + sprintf( modelname, "%s%d (%d), %6.3f (%6.3f), %6.3f (%6.3f)", rnakozo?"RNA":"DNA", pamN, kimuraR, + -(double)ppenalty*0.001, -(double)ppenalty*0.003, -(double)poffset*0.001, -(double)poffset*0.003 ); + + if( kimuraR == 9999 ) + { + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] = (double)locn_disn[i][j]; +#if NORMALIZE1 + average = 0.0; + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + average += pamx[i][j]; + average /= 16.0; + + if( disp ) + fprintf( stderr, "average = %f\n", average ); + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] -= average; + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] *= 600.0 / average; + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] -= offset; +#endif + } + else + { + double f = 0.99; + double s = (double)kimuraR / ( 2 + kimuraR ) * 0.01; + double v = (double)1 / ( 2 + kimuraR ) * 0.01; + pam1[0][0] = f; pam1[0][1] = s; pam1[0][2] = v; pam1[0][3] = v; + pam1[1][0] = s; pam1[1][1] = f; pam1[1][2] = v; pam1[1][3] = v; + pam1[2][0] = v; pam1[2][1] = v; pam1[2][2] = f; pam1[2][3] = s; + pam1[3][0] = v; pam1[3][1] = v; pam1[3][2] = s; pam1[3][3] = f; + + fprintf( stderr, "generating %dPAM scoring matrix for nucleotides ... ", pamN ); + + if( disp ) + { + fprintf( stderr, " TPM \n" ); + for( i=0; i<4; i++ ) + { + for( j=0; j<4; j++ ) + fprintf( stderr, "%+#6.10f", pam1[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + + + MtxuntDouble( pamx, 4 ); + for( x=0; x < pamN; x++ ) MtxmltDouble( pamx, pam1, 4 ); + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] /= 1.0 / 4.0; + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + { + if( pamx[i][j] == 0.0 ) + { + fprintf( stderr, "WARNING: pamx[i][j] = 0.0 ?\n" ); + pamx[i][j] = 0.00001; /* by J. Thompson */ + } + pamx[i][j] = log10( pamx[i][j] ) * 1000.0; + } + + if( disp ) + { + fprintf( stderr, " after log\n" ); + for( i=0; i<4; i++ ) + { + for( j=0; j<4; j++ ) + fprintf( stderr, "%+#6.10f", pamx[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + + +// ????? + for( i=0; i<26; i++ ) amino[i] = locaminon[i]; + for( i=0; i<0x80; i++ ) amino_n[i] = -1; + for( i=0; i<26; i++ ) amino_n[(int)amino[i]] = i; + if( fmodel == 1 ) + calcfreq_nuc( nseq, seq, freq ); + else + { + freq[0] = 0.25; + freq[1] = 0.25; + freq[2] = 0.25; + freq[3] = 0.25; + } +// fprintf( stderr, "a, freq[0] = %f\n", freq[0] ); +// fprintf( stderr, "g, freq[1] = %f\n", freq[1] ); +// fprintf( stderr, "c, freq[2] = %f\n", freq[2] ); +// fprintf( stderr, "t, freq[3] = %f\n", freq[3] ); + + + average = 0.0; + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + average += pamx[i][j] * freq[i] * freq[j]; + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] -= average; + + average = 0.0; + for( i=0; i<4; i++ ) + average += pamx[i][i] * 1.0 / 4.0; + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] *= 600.0 / average; + + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] -= offset; /* extending gap cost */ + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + pamx[i][j] = shishagonyuu( pamx[i][j] ); + + if( disp ) + { + fprintf( stderr, " after shishagonyuu\n" ); + for( i=0; i<4; i++ ) + { + for( j=0; j<4; j++ ) + fprintf( stderr, "%+#6.10f", pamx[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + fprintf( stderr, "done\n" ); + } + + for( i=0; i<5; i++ ) + { + pamx[4][i] = pamx[3][i]; + pamx[i][4] = pamx[i][3]; + } + + for( i=5; i<10; i++ ) for( j=5; j<10; j++ ) + { + pamx[i][j] = pamx[i-5][j-5]; + } + + if( disp ) + { + fprintf( stderr, " before dis\n" ); + for( i=0; i<4; i++ ) + { + for( j=0; j<4; j++ ) + fprintf( stderr, "%+#6.10f", pamx[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + + if( disp ) + { + fprintf( stderr, " score matrix \n" ); + for( i=0; i<4; i++ ) + { + for( j=0; j<4; j++ ) + fprintf( stderr, "%+#6.10f", pamx[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + + for( i=0; i<26; i++ ) amino[i] = locaminon[i]; + for( i=0; i<26; i++ ) amino_grp[(int)amino[i]] = locgrpn[i]; + for( i=0; i<26; i++ ) for( j=0; j<26; j++ ) n_dis[i][j] = 0; + for( i=0; i<10; i++ ) for( j=0; j<10; j++ ) n_dis[i][j] = shishagonyuu( pamx[i][j] ); + if( disp ) + { + fprintf( stderr, " score matrix \n" ); + for( i=0; i<26; i++ ) + { + for( j=0; j<26; j++ ) + fprintf( stderr, "%+6d", n_dis[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + +// RIBOSUM +#if 1 + average = 0.0; + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + average += ribosum4[i][j] * freq[i] * freq[j]; + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + ribosum4[i][j] -= average; + + average = 0.0; + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) for( k=0; k<4; k++ ) for( m=0; m<4; m++ ) + { +// if( i%4==0&&j%4==3 || i%4==3&&j%4==0 || i%4==1&&j%4==2 || i%4==2&&j%4==1 || i%4==1&&j%4==3 || i%4==3&&j%4==1 ) +// if( k%4==0&&m%4==3 || k%4==3&&m%4==0 || k%4==1&&m%4==2 || k%4==2&&m%4==1 || k%4==1&&m%4==3 || k%4==3&&m%4==1 ) + average += ribosum16[i*4+j][k*4+m] * freq[i] * freq[j] * freq[k] * freq[m]; + } + for( i=0; i<16; i++ ) for( j=0; j<16; j++ ) + ribosum16[i][j] -= average; + + average = 0.0; + for( i=0; i<4; i++ ) + average += ribosum4[i][i] * freq[i]; + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + ribosum4[i][j] *= 600.0 / average; + + average = 0.0; + average += ribosum16[0*4+3][0*4+3] * freq[0] * freq[3]; // AU + average += ribosum16[3*4+0][3*4+0] * freq[3] * freq[0]; // UA + average += ribosum16[1*4+2][1*4+2] * freq[1] * freq[2]; // CG + average += ribosum16[2*4+1][2*4+1] * freq[2] * freq[1]; // GC + average += ribosum16[1*4+3][1*4+3] * freq[1] * freq[3]; // GU + average += ribosum16[3*4+1][3*4+1] * freq[3] * freq[1]; // UG + for( i=0; i<16; i++ ) for( j=0; j<16; j++ ) + ribosum16[i][j] *= 600.0 / average; + + +#if 1 + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + ribosum4[i][j] -= offset; /* extending gap cost ?????*/ + for( i=0; i<16; i++ ) for( j=0; j<16; j++ ) + ribosum16[i][j] -= offset; /* extending gap cost ?????*/ +#endif + + for( i=0; i<4; i++ ) for( j=0; j<4; j++ ) + ribosum4[i][j] = shishagonyuu( ribosum4[i][j] ); + for( i=0; i<16; i++ ) for( j=0; j<16; j++ ) + ribosum16[i][j] = shishagonyuu( ribosum16[i][j] ); + + if( disp ) + { + fprintf( stderr, "ribosum after shishagonyuu\n" ); + for( i=0; i<4; i++ ) + { + for( j=0; j<4; j++ ) + fprintf( stderr, "%+#6.10f", ribosum4[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + fprintf( stderr, "ribosum16 after shishagonyuu\n" ); + for( i=0; i<16; i++ ) + { + for( j=0; j<16; j++ ) + fprintf( stderr, "%+#7.0f", ribosum16[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + fprintf( stderr, "done\n" ); + +#if 1 + for( i=0; i<37; i++ ) for( j=0; j<37; j++ ) ribosumdis[i][j] = 0.0; //iru + for( m=0; m<9; m++ ) for( i=0; i<4; i++ ) // loop + for( k=0; k<9; k++ ) for( j=0; j<4; j++ ) ribosumdis[m*4+i][k*4+j] = ribosum4[i][j]; // loop-loop +// for( k=0; k<9; k++ ) for( j=0; j<4; j++ ) ribosumdis[m*4+i][k*4+j] = n_dis[i][j]; // loop-loop + + for( i=0; i<16; i++ ) for( j=0; j<16; j++ ) ribosumdis[i+4][j+4] = ribosum16[i][j]; // stem5-stem5 + for( i=0; i<16; i++ ) for( j=0; j<16; j++ ) ribosumdis[i+20][j+20] = ribosum16[i][j]; // stem5-stem5 +#else // do not use ribosum + for( i=0; i<37; i++ ) for( j=0; j<37; j++ ) ribosumdis[i][j] = 0.0; //iru + for( m=0; m<9; m++ ) for( i=0; i<4; i++ ) // loop + for( k=0; k<9; k++ ) for( j=0; j<4; j++ ) ribosumdis[m*4+i][k*4+j] = n_dis[i][j]; // loop-loop +#endif + + if( disp ) + { + fprintf( stderr, "ribosumdis\n" ); + for( i=0; i<37; i++ ) + { + for( j=0; j<37; j++ ) + fprintf( stderr, "%+5d", ribosumdis[i][j] ); + fprintf( stderr, "\n" ); + } + fprintf( stderr, "\n" ); + } + fprintf( stderr, "done\n" ); +#endif + + FreeDoubleMtx( pam1 ); + FreeDoubleMtx( pamx ); + free( freq ); + + } + else if( dorp == 'p' && scoremtx == 1 ) /* Blosum */ + { + double *freq; + double *freq1; + double *datafreq; + double average; +// double tmp; + double **n_distmp; + + n_distmp = AllocateDoubleMtx( 20, 20 ); + datafreq = AllocateDoubleVec( 20 ); + freq = AllocateDoubleVec( 20 ); + + if( ppenalty == NOTSPECIFIED ) ppenalty = DEFAULTGOP_B; + if( ppenalty_OP == NOTSPECIFIED ) ppenalty_OP = DEFAULTGOP_B; + if( ppenalty_ex == NOTSPECIFIED ) ppenalty_ex = DEFAULTGEP_B; + if( ppenalty_EX == NOTSPECIFIED ) ppenalty_EX = DEFAULTGEP_B; + if( poffset == NOTSPECIFIED ) poffset = DEFAULTOFS_B; + if( pamN == NOTSPECIFIED ) pamN = 0; + if( kimuraR == NOTSPECIFIED ) kimuraR = 1; + penalty = (int)( 600.0 / 1000.0 * ppenalty + 0.5 ); + penalty_OP = (int)( 600.0 / 1000.0 * ppenalty_OP + 0.5 ); + penalty_ex = (int)( 600.0 / 1000.0 * ppenalty_ex + 0.5 ); + penalty_EX = (int)( 600.0 / 1000.0 * ppenalty_EX + 0.5 ); + offset = (int)( 600.0 / 1000.0 * poffset + 0.5 ); + offsetFFT = (int)( 600.0 / 1000.0 * (-0) + 0.5); + offsetLN = (int)( 600.0 / 1000.0 * 100 + 0.5); + penaltyLN = (int)( 600.0 / 1000.0 * -2000 + 0.5); + penalty_exLN = (int)( 600.0 / 1000.0 * -100 + 0.5); + + BLOSUMmtx( nblosum, n_distmp, freq, amino, amino_grp ); + if( nblosum == -1 ) + sprintf( modelname, "User-defined, %6.3f, %+6.3f, %+6.3f", -(double)ppenalty/1000, -(double)poffset/1000, -(double)ppenalty_ex/1000 ); + else + sprintf( modelname, "BLOSUM%d, %6.3f, %+6.3f, %+6.3f", nblosum, -(double)ppenalty/1000, -(double)poffset/1000, -(double)ppenalty_ex/1000 ); +#if 0 + for( i=0; i<26; i++ ) amino[i] = locaminod[i]; + for( i=0; i<26; i++ ) amino_grp[(int)amino[i]] = locgrpd[i]; + for( i=0; i<0x80; i++ ) amino_n[i] = 0; + for( i=0; i<26; i++ ) amino_n[(int)amino[i]] = i; +#endif + for( i=0; i<0x80; i++ )amino_n[i] = -1; + for( i=0; i<26; i++) amino_n[(int)amino[i]] = i; + if( fmodel == 1 ) + { + calcfreq( nseq, seq, datafreq ); + freq1 = datafreq; + } + else + freq1 = freq; +#if TEST + fprintf( stderr, "raw scoreing matrix : \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stdout, "%6.2f", n_distmp[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif + if( fmodel == -1 ) + average = 0.0; + else + { + for( i=0; i<20; i++ ) +#if TEST + fprintf( stdout, "freq[%c] = %f, datafreq[%c] = %f, freq1[] = %f\n", amino[i], freq[i], amino[i], datafreq[i], freq1[i] ); +#endif + average = 0.0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + average += n_distmp[i][j] * freq1[i] * freq1[j]; + } +#if TEST + fprintf( stdout, "####### average2 = %f\n", average ); +#endif + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + n_distmp[i][j] -= average; +#if TEST + fprintf( stdout, "average2 = %f\n", average ); + fprintf( stdout, "after average substruction : \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stdout, "%6.2f", n_distmp[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif + + average = 0.0; + for( i=0; i<20; i++ ) + average += n_distmp[i][i] * freq1[i]; +#if TEST + fprintf( stdout, "####### average1 = %f\n", average ); +#endif + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + n_distmp[i][j] *= 600.0 / average; +#if TEST + fprintf( stdout, "after average division : \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<=i; j++ ) + { + fprintf( stdout, "%7.1f", n_distmp[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + n_distmp[i][j] -= offset; +#if TEST + fprintf( stdout, "after offset substruction (offset = %d): \n", offset ); + for( i=0; i<20; i++ ) + { + for( j=0; j<=i; j++ ) + { + fprintf( stdout, "%7.1f", n_distmp[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif +#if 0 +/* Ãí°Õ ¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª */ + penalty -= offset; +#endif + + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + n_distmp[i][j] = shishagonyuu( n_distmp[i][j] ); + + if( disp ) + { + fprintf( stdout, " scoring matrix \n" ); + for( i=0; i<20; i++ ) + { + fprintf( stdout, "%c ", amino[i] ); + for( j=0; j<20; j++ ) + fprintf( stdout, "%5.0f", n_distmp[i][j] ); + fprintf( stdout, "\n" ); + } + fprintf( stdout, " " ); + for( i=0; i<20; i++ ) + fprintf( stdout, " %c", amino[i] ); + + average = 0.0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + average += n_distmp[i][j] * freq1[i] * freq1[j]; + fprintf( stdout, "average = %f\n", average ); + + average = 0.0; + for( i=0; i<20; i++ ) + average += n_distmp[i][i] * freq1[i]; + fprintf( stdout, "itch average = %f\n", average ); + fprintf( stderr, "parameters: %d, %d, %d\n", penalty, penalty_ex, offset ); + + + exit( 1 ); + } + + for( i=0; i<26; i++ ) for( j=0; j<26; j++ ) n_dis[i][j] = 0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) n_dis[i][j] = (int)n_distmp[i][j]; + + FreeDoubleMtx( n_distmp ); + FreeDoubleVec( datafreq ); + FreeDoubleVec( freq ); + + fprintf( stderr, "done.\n" ); + + } + else if( dorp == 'p' && scoremtx == 2 ) /* Miyata-Yasunaga */ + { + fprintf( stderr, "Not supported\n" ); + exit( 1 ); + for( i=0; i<26; i++ ) for( j=0; j<26; j++ ) n_dis[i][j] = locn_dism[i][j]; + for( i=0; i<26; i++ ) if( i != 24 ) n_dis[i][24] = n_dis[24][i] = exgpm; + n_dis[24][24] = 0; + if( ppenalty == NOTSPECIFIED ) ppenalty = locpenaltym; + if( poffset == NOTSPECIFIED ) poffset = -20; + if( pamN == NOTSPECIFIED ) pamN = 0; + if( kimuraR == NOTSPECIFIED ) kimuraR = 1; + + penalty = ppenalty; + offset = poffset; + + sprintf( modelname, "Miyata-Yasunaga, %6.3f, %6.3f", -(double)ppenalty/1000, -(double)poffset/1000 ); + for( i=0; i<26; i++ ) amino[i] = locaminom[i]; + for( i=0; i<26; i++ ) amino_grp[(int)amino[i]] = locgrpm[i]; +#if DEBUG + fprintf( stdout, "scoreing matrix : \n" ); + for( i=0; i<26; i++ ) + { + for( j=0; j<26; j++ ) + { + fprintf( stdout, "%#5d", n_dis[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif + } + else /* JTT */ + { + double **rsr; + double **pam1; + double **pamx; + double *freq; + double *freq1; + double *mutab; + double *datafreq; + double average; + double tmp; + double delta; + + rsr = AllocateDoubleMtx( 20, 20 ); + pam1 = AllocateDoubleMtx( 20, 20 ); + pamx = AllocateDoubleMtx( 20, 20 ); + freq = AllocateDoubleVec( 20 ); + mutab = AllocateDoubleVec( 20 ); + datafreq = AllocateDoubleVec( 20 ); + + if( ppenalty == NOTSPECIFIED ) ppenalty = DEFAULTGOP_J; + if( ppenalty_OP == NOTSPECIFIED ) ppenalty_OP = DEFAULTGOP_J; + if( ppenalty_ex == NOTSPECIFIED ) ppenalty_ex = DEFAULTGEP_J; + if( ppenalty_EX == NOTSPECIFIED ) ppenalty_EX = DEFAULTGEP_J; + if( poffset == NOTSPECIFIED ) poffset = DEFAULTOFS_J; + if( pamN == NOTSPECIFIED ) pamN = DEFAULTPAMN; + if( kimuraR == NOTSPECIFIED ) kimuraR = 1; + + penalty = (int)( 600.0 / 1000.0 * ppenalty + 0.5 ); + penalty_OP = (int)( 600.0 / 1000.0 * ppenalty_OP + 0.5 ); + penalty_ex = (int)( 600.0 / 1000.0 * ppenalty_ex + 0.5 ); + penalty_EX = (int)( 600.0 / 1000.0 * ppenalty_EX + 0.5 ); + offset = (int)( 600.0 / 1000.0 * poffset + 0.5 ); + offsetFFT = (int)( 600.0 / 1000.0 * (-0) + 0.5 ); + offsetLN = (int)( 600.0 / 1000.0 * 100 + 0.5); + penaltyLN = (int)( 600.0 / 1000.0 * -2000 + 0.5); + penalty_exLN = (int)( 600.0 / 1000.0 * -100 + 0.5); + + sprintf( modelname, "%s %dPAM, %6.3f, %6.3f", (TMorJTT==TM)?"Transmembrane":"JTT", pamN, -(double)ppenalty/1000, -(double)poffset/1000 ); + + JTTmtx( rsr, freq, amino, amino_grp, (int)(TMorJTT==TM) ); + +#if TEST + fprintf( stdout, "rsr = \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stdout, "%9.2f ", rsr[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif + + for( i=0; i<0x80; i++ ) amino_n[i] = -1; + for( i=0; i<26; i++ ) amino_n[(int)amino[i]] = i; + + if( fmodel == 1 ) + { + calcfreq( nseq, seq, datafreq ); + freq1 = datafreq; + } + else + freq1 = freq; + + fprintf( stderr, "generating %dPAM %s scoring matrix for amino acids ... ", pamN, (TMorJTT==TM)?"Transmembrane":"JTT" ); + + tmp = 0.0; + for( i=0; i<20; i++ ) + { + mutab[i] = 0.0; + for( j=0; j<20; j++ ) + mutab[i] += rsr[i][j] * freq[j]; + tmp += mutab[i] * freq[i]; + } +#if TEST + fprintf( stdout, "mutability = \n" ); + for( i=0; i<20; i++ ) + fprintf( stdout, "%5.3f\n", mutab[i] ); + + fprintf( stdout, "tmp = %f\n", tmp ); +#endif + delta = 0.01 / tmp; + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + if( i != j ) + pam1[i][j] = delta * rsr[i][j] * freq[i]; + else + pam1[i][j] = 1.0 - delta * mutab[i]; + } + } + + if( disp ) + { + fprintf( stdout, "pam1 = \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stdout, "%9.6f ", pam1[i][j] ); + } + fprintf( stdout, "\n" ); + } + } + + MtxuntDouble( pamx, 20 ); + for( x=0; x < pamN; x++ ) MtxmltDouble( pamx, pam1, 20 ); + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + pamx[i][j] /= freq[j]; + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + { + if( pamx[i][j] == 0.0 ) + { + fprintf( stderr, "WARNING: pamx[%d][%d] = 0.0?\n", i, j ); + pamx[i][j] = 0.00001; /* by J. Thompson */ + } + pamx[i][j] = log10( pamx[i][j] ) * 1000.0; + } + +#if TEST + fprintf( stdout, "raw scoring matrix : \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stdout, "%5.0f", pamx[i][j] ); + } + fprintf( stdout, "\n" ); + } + average = tmp = 0.0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + { + average += pamx[i][j] * freq1[i] * freq1[j]; + tmp += freq1[i] * freq1[j]; + } + average /= tmp; + fprintf( stdout, "Zenbu average = %f, tmp = %f \n", average, tmp ); + average = tmp = 0.0; + for( i=0; i<20; i++ ) for( j=i; j<20; j++ ) + { + average += pamx[i][j] * freq1[i] * freq1[j]; + tmp += freq1[i] * freq1[j]; + } + average /= tmp; + fprintf( stdout, "Zenbu average2 = %f, tmp = %f \n", average, tmp ); + average = tmp = 0.0; + for( i=0; i<20; i++ ) + { + average += pamx[i][i] * freq1[i]; + tmp += freq1[i]; + } + average /= tmp; + fprintf( stdout, "Itch average = %f, tmp = %f \n", average, tmp ); +#endif + +#if NORMALIZE1 + if( fmodel == -1 ) + average = 0.0; + else + { +#if TEST + for( i=0; i<20; i++ ) + fprintf( stdout, "freq[%c] = %f, datafreq[%c] = %f, freq1[] = %f\n", amino[i], freq[i], amino[i], datafreq[i], freq1[i] ); +#endif + average = 0.0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + average += pamx[i][j] * freq1[i] * freq1[j]; + } +#if TEST + fprintf( stdout, "####### average2 = %f\n", average ); +#endif + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + pamx[i][j] -= average; +#if TEST + fprintf( stdout, "average2 = %f\n", average ); + fprintf( stdout, "after average substruction : \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stdout, "%5.0f", pamx[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif + + average = 0.0; + for( i=0; i<20; i++ ) + average += pamx[i][i] * freq1[i]; +#if TEST + fprintf( stdout, "####### average1 = %f\n", average ); +#endif + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + pamx[i][j] *= 600.0 / average; +#if TEST + fprintf( stdout, "after average division : \n" ); + for( i=0; i<20; i++ ) + { + for( j=0; j<=i; j++ ) + { + fprintf( stdout, "%5.0f", pamx[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + pamx[i][j] -= offset; +#if TEST + fprintf( stdout, "after offset substruction (offset = %d): \n", offset ); + for( i=0; i<20; i++ ) + { + for( j=0; j<=i; j++ ) + { + fprintf( stdout, "%5.0f", pamx[i][j] ); + } + fprintf( stdout, "\n" ); + } +#endif +#if 0 +/* Ãí°Õ ¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª¡ª */ + penalty -= offset; +#endif + + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + pamx[i][j] = shishagonyuu( pamx[i][j] ); + +#else + + average = 0.0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + average += pamx[i][j]; + average /= 400.0; + + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + { + pamx[i][j] -= average; + pamx[i][j] = shishagonyuu( pamx[i][j] ); + } +#endif + if( disp ) + { + fprintf( stdout, " scoring matrix \n" ); + for( i=0; i<20; i++ ) + { + fprintf( stdout, "%c ", amino[i] ); + for( j=0; j<20; j++ ) + fprintf( stdout, "%5.0f", pamx[i][j] ); + fprintf( stdout, "\n" ); + } + fprintf( stdout, " " ); + for( i=0; i<20; i++ ) + fprintf( stdout, " %c", amino[i] ); + + average = 0.0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) + average += pamx[i][j] * freq1[i] * freq1[j]; + fprintf( stdout, "average = %f\n", average ); + + average = 0.0; + for( i=0; i<20; i++ ) + average += pamx[i][i] * freq1[i]; + fprintf( stdout, "itch average = %f\n", average ); + fprintf( stderr, "parameters: %d, %d, %d\n", penalty, penalty_ex, offset ); + + + exit( 1 ); + } + + for( i=0; i<26; i++ ) for( j=0; j<26; j++ ) n_dis[i][j] = 0; + for( i=0; i<20; i++ ) for( j=0; j<20; j++ ) n_dis[i][j] = (int)pamx[i][j]; + + fprintf( stderr, "done.\n" ); + FreeDoubleMtx( rsr ); + FreeDoubleMtx( pam1 ); + FreeDoubleMtx( pamx ); + FreeDoubleVec( freq ); + FreeDoubleVec( mutab ); + FreeDoubleVec( datafreq ); + } + fprintf( stderr, "scoremtx = %d\n", scoremtx ); + +#if DEBUG + fprintf( stderr, "scoremtx = %d\n", scoremtx ); + fprintf( stderr, "amino[] = %s\n", amino ); +#endif + + for( i=0; i<0x80; i++ )amino_n[i] = -1; + for( i=0; i<26; i++) amino_n[(int)amino[i]] = i; + for( i=0; i<0x80; i++ ) for( j=0; j<0x80; j++ ) amino_dis[i][j] = 0; + for( i=0; i<0x80; i++ ) for( j=0; j<0x80; j++ ) amino_disLN[i][j] = 0; + for( i=0; i<0x80; i++ ) for( j=0; j<0x80; j++ ) amino_dis_consweight_multi[i][j] = 0.0; + for( i=0; i<26; i++) for( j=0; j<26; j++ ) + { + amino_dis[(int)amino[i]][(int)amino[j]] = n_dis[i][j]; + n_dis_consweight_multi[i][j] = (float)n_dis[i][j] * consweight_multi; + amino_dis_consweight_multi[(int)amino[i]][(int)amino[j]] = (double)n_dis[i][j] * consweight_multi; + } + + if( dorp == 'd' ) /* DNA */ + { + for( i=0; i<5; i++) for( j=0; j<5; j++ ) + amino_disLN[(int)amino[i]][(int)amino[j]] = n_dis[i][j] + offset - offsetLN; + for( i=5; i<10; i++) for( j=5; j<10; j++ ) + amino_disLN[(int)amino[i]][(int)amino[j]] = n_dis[i][j] + offset - offsetLN; + for( i=0; i<5; i++) for( j=0; j<5; j++ ) + n_disFFT[i][j] = n_dis[i][j] + offset - offsetFFT; + for( i=5; i<10; i++) for( j=5; j<10; j++ ) + n_disFFT[i][j] = n_dis[i][j] + offset - offsetFFT; + } + else // protein + { + for( i=0; i<20; i++) for( j=0; j<20; j++ ) + amino_disLN[(int)amino[i]][(int)amino[j]] = n_dis[i][j] + offset - offsetLN; + for( i=0; i<20; i++) for( j=0; j<20; j++ ) + n_disFFT[i][j] = n_dis[i][j] + offset - offsetFFT; + } + +#if 0 + fprintf( stderr, "amino_dis (offset = %d): \n", offset ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stderr, "%5d", amino_dis[(int)amino[i]][(int)amino[j]] ); + } + fprintf( stderr, "\n" ); + } + + fprintf( stderr, "amino_disLN (offsetLN = %d): \n", offsetLN ); + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stderr, "%5d", amino_disLN[(int)amino[i]][(int)amino[j]] ); + } + fprintf( stderr, "\n" ); + } + + fprintf( stderr, "n_dis (offset = %d): \n", offset ); + for( i=0; i<26; i++ ) + { + for( j=0; j<26; j++ ) + { + fprintf( stderr, "%5d", n_dis[i][j] ); + } + fprintf( stderr, "\n" ); + } + + fprintf( stderr, "n_disFFT (offsetFFT = %d): \n", offsetFFT ); + for( i=0; i<26; i++ ) + { + for( j=0; j<26; j++ ) + { + fprintf( stderr, "%5d", n_disFFT[i][j] ); + } + fprintf( stderr, "\n" ); + } +exit( 1 ); +#endif + + + ppid = 0; + + + if( fftThreshold == NOTSPECIFIED ) + { + fftThreshold = FFT_THRESHOLD; + } + if( fftWinSize == NOTSPECIFIED ) + { + if( dorp == 'd' ) + fftWinSize = FFT_WINSIZE_D; + else + fftWinSize = FFT_WINSIZE_P; + } + + + if( fftscore ) + { + double av, sd; + + for( i=0; i<20; i++ ) polarity[i] = polarity_[i]; + for( av=0.0, i=0; i<20; i++ ) av += polarity[i]; + av /= 20.0; + for( sd=0.0, i=0; i<20; i++ ) sd += ( polarity[i]-av ) * ( polarity[i]-av ); + sd /= 20.0; sd = sqrt( sd ); + for( i=0; i<20; i++ ) polarity[i] -= av; + for( i=0; i<20; i++ ) polarity[i] /= sd; + + for( i=0; i<20; i++ ) volume[i] = volume_[i]; + for( av=0.0, i=0; i<20; i++ ) av += volume[i]; + av /= 20.0; + for( sd=0.0, i=0; i<20; i++ ) sd += ( volume[i]-av ) * ( volume[i]-av ); + sd /= 20.0; sd = sqrt( sd ); + for( i=0; i<20; i++ ) volume[i] -= av; + for( i=0; i<20; i++ ) volume[i] /= sd; + +#if 0 + for( i=0; i<20; i++ ) fprintf( stdout, "amino=%c, pol = %f<-%f, vol = %f<-%f\n", amino[i], polarity[i], polarity_[i], volume[i], volume_[i] ); + for( i=0; i<20; i++ ) fprintf( stdout, "%c %+5.3f %+5.3f\n", amino[i], volume[i], polarity[i] ); +#endif + } +} diff --git a/binaries/src/mafft/core/contrafoldwrap.c b/binaries/src/mafft/core/contrafoldwrap.c new file mode 100644 index 0000000..9de7f32 --- /dev/null +++ b/binaries/src/mafft/core/contrafoldwrap.c @@ -0,0 +1,312 @@ +#include "mltaln.h" + +#define DEBUG 0 + +static char *whereiscontrafold; + +void unknown_n( char *out, char *in ) +{ + while( *in ) + { + if( *in == 'a' || *in == 'A' ) + *out = 'A'; + else if( *in == 't' || *in == 'T' || *in == 'u' || *in == 'U' ) + *out = 'U'; + else if( *in == 'g' || *in == 'G' ) + *out = 'G'; + else if( *in == 'c' || *in == 'C' ) + *out = 'C'; + else if( *in == '-' ) + *out = '-'; + else + *out = 'N'; + + out++; + in++; + } + *out = 0; +} + +void outcontrafold( FILE *fp, RNApair **pairprob, int length ) +{ + int i; + RNApair *pt; + for( i=0; ibestpos!=-1; pt++ ) + { + if( pt->bestpos > i ) + fprintf( fp, "%d %d %f\n", i, pt->bestpos, pt->bestscore ); + } +} + +#if 1 +static void readcontrafold( FILE *fp, RNApair **pairprob, int length ) +{ + char gett[10000]; + int *pairnum; + char *pt; + int i; + int left, right; + float prob; + + pairnum = (int *)calloc( length, sizeof( int ) ); + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'd': + whereiscontrafold = *++argv; + fprintf( stderr, "whereiscontrafold = %s\n", whereiscontrafold ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + + +int main( int argc, char *argv[] ) +{ + static char com[10000]; + static int *nlen; + int left, right; + int res; + static char **name, **seq, **nogap; + static int **gapmap; + static int *order; + int i, j; + FILE *infp; + RNApair ***pairprob; + RNApair **alnpairprob; + RNApair *pairprobpt; + RNApair *pt; + int *alnpairnum; + float prob; + int adpos; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + if( !whereiscontrafold ) + whereiscontrafold = ""; + + getnumlen( infp ); + rewind( infp ); + + if( dorp != 'd' ) + { + fprintf( stderr, "nuc only\n" ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*2+1 ); + nogap = AllocateCharMtx( njob, nlenmax*2+1 ); + gapmap = AllocateIntMtx( njob, nlenmax*2+1 ); + order = AllocateIntVec( njob ); + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + pairprob = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + alnpairprob = (RNApair **)calloc( nlenmax, sizeof( RNApair * ) ); + alnpairnum = AllocateIntVec( nlenmax ); + + for( i=0; iin\n%s\n", nogap[i] ); + fclose( infp ); +#if 0 // contrafold v1 + sprintf( com, "env PATH=%s contrafold predict _contrafoldin --posteriors 0.01 > _contrafoldout", whereiscontrafold ); +#else // contrafold v2 + sprintf( com, "env PATH=%s contrafold predict _contrafoldin --posteriors 0.01 _contrafoldout", whereiscontrafold ); +#endif + res = system( com ); + if( res ) + { + fprintf( stderr, "error in contrafold\n" ); + fprintf( stderr, "=================================================================\n" ); + fprintf( stderr, "=================================================================\n" ); + fprintf( stderr, "==\n" ); + fprintf( stderr, "== This version of MAFFT supports CONTRAfold v2.02.\n" ); + fprintf( stderr, "== If you have a lower version of CONTRAfold installed in the\n" ); + fprintf( stderr, "== %s directory,\n", whereiscontrafold ); + fprintf( stderr, "== please update it!\n" ); + fprintf( stderr, "==\n" ); + fprintf( stderr, "=================================================================\n" ); + fprintf( stderr, "=================================================================\n" ); + exit( 1 ); + } + + + infp = fopen( "_contrafoldout", "r" ); + readcontrafold( infp, pairprob[i], nlenmax ); + fclose( infp ); + fprintf( stdout, ">%d\n", i ); + outcontrafold( stdout, pairprob[i], nlenmax ); + } + + for( i=0; ibestpos!=-1; pairprobpt++ ) + { + left = gapmap[i][j]; + right = gapmap[i][pairprobpt->bestpos]; + prob = pairprobpt->bestscore; + + for( pt=alnpairprob[left]; pt->bestpos!=-1; pt++ ) + if( pt->bestpos == right ) break; + + if( pt->bestpos == -1 ) + { + alnpairprob[left] = (RNApair *)realloc( alnpairprob[left], (alnpairnum[left]+2) * sizeof( RNApair ) ); + adpos = alnpairnum[left]; + alnpairnum[left]++; + alnpairprob[left][adpos].bestscore = 0.0; + alnpairprob[left][adpos].bestpos = right; + alnpairprob[left][adpos+1].bestscore = -1.0; + alnpairprob[left][adpos+1].bestpos = -1; + pt = alnpairprob[left]+adpos; + } + else + adpos = pt-alnpairprob[left]; + + pt->bestscore += prob; + if( pt->bestpos != right ) + { + fprintf( stderr, "okashii!\n" ); + exit( 1 ); + } +// fprintf( stderr, "adding %d-%d, %f\n", left, right, prob ); + } + } + return( 0 ); + +#if 0 + fprintf( stdout, "result=\n" ); + + for( i=0; ibestpos!=-1; pairprobpt++ ) + { + pairprobpt->bestscore /= (float)njob; + left = i; + right = pairprobpt->bestpos; + prob = pairprobpt->bestscore; + fprintf( stdout, "%d-%d, %f\n", left, right, prob ); + } + + return( 0 ); +#endif +} diff --git a/binaries/src/mafft/core/countlen.c b/binaries/src/mafft/core/countlen.c new file mode 100644 index 0000000..3cb7030 --- /dev/null +++ b/binaries/src/mafft/core/countlen.c @@ -0,0 +1,61 @@ +#include "mltaln.h" + +#define DEBUG 0 + +void arguments( int argc, char *argv[] ) +{ + int c; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + + +int main( int argc, char *argv[] ) +{ + FILE *infp; + int nlenmin; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + dorp = NOTSPECIFIED; + getnumlen_nogap( infp, &nlenmin ); + + fprintf( stdout, "%d x %d - %d %c\n", njob, nlenmax, nlenmin, dorp ); + return( 0 ); +} diff --git a/binaries/src/mafft/core/defs.c b/binaries/src/mafft/core/defs.c new file mode 100644 index 0000000..4136bc3 --- /dev/null +++ b/binaries/src/mafft/core/defs.c @@ -0,0 +1,108 @@ +#include +#include "dp.h" +#include "mltaln.h" + +int TLS commonAlloc1 = 0; +int TLS commonAlloc2 = 0; +int TLS **commonIP = NULL; +int TLS **commonJP = NULL; +int nthread = 1; +int randomseed = 0; +int parallelizationstrategy = BAATARI1; + + +char modelname[100]; +int njob, nlenmax; +int amino_n[0x80]; +char amino_grp[0x80]; +int amino_dis[0x80][0x80]; +int amino_disLN[0x80][0x80]; +double amino_dis_consweight_multi[0x80][0x80]; +int n_dis[26][26]; +int n_disFFT[26][26]; +float n_dis_consweight_multi[26][26]; +char amino[26]; +double polarity[20]; +double volume[20]; +int ribosumdis[37][37]; + +int ppid; +double thrinter; +double fastathreshold; +int pslocal, ppslocal; +int constraint; +int divpairscore; +int fmodel; // 1-> fmodel 0->default -1->raw +int nblosum; // 45, 50, 62, 80 +int kobetsubunkatsu; +int bunkatsu; +int dorp; +int niter; +int contin; +int calledByXced; +int devide; +int scmtd; +int weight; +int utree; +int tbutree; +int refine; +int check; +double cut; +int cooling; +int penalty, ppenalty, penaltyLN; +int RNApenalty, RNAppenalty; +int RNApenalty_ex, RNAppenalty_ex; +int penalty_ex, ppenalty_ex, penalty_exLN; +int penalty_EX, ppenalty_EX; +int penalty_OP, ppenalty_OP; +int RNAthr, RNApthr; +int offset, poffset, offsetLN, offsetFFT; +int scoremtx; +int TMorJTT; +char use_fft; +char force_fft; +int nevermemsave; +int fftscore; +int fftWinSize; +int fftThreshold; +int fftRepeatStop; +int fftNoAnchStop; +int divWinSize; +int divThreshold; +int disp; +int outgap = 1; +char alg; +int cnst; +int mix; +int tbitr; +int tbweight; +int tbrweight; +int disopt; +int pamN; +int checkC; +float geta2; +int treemethod; +int kimuraR; +char *swopt; +int fftkeika; +int score_check; +int makedistmtx; +char *inputfile; +char *addfile; +int addprofile = 1; +int rnakozo; +char rnaprediction; +int scoreout = 0; +int outnumber = 0; + +char *signalSM; +FILE *prep_g; +FILE *trap_g; +char **seq_g; +char **res_g; + +float consweight_multi = 1.0; +float consweight_rna = 0.0; +char RNAscoremtx = 'n'; + +char *newgapstr = "-"; diff --git a/binaries/src/mafft/core/disttbfast.c b/binaries/src/mafft/core/disttbfast.c new file mode 100644 index 0000000..c7c50fc --- /dev/null +++ b/binaries/src/mafft/core/disttbfast.c @@ -0,0 +1,1799 @@ +#include "mltaln.h" + +#define DEBUG 0 +#define IODEBUG 0 +#define SCOREOUT 0 + +#define END_OF_VEC -1 + +static int nadd; +static int treein; +static int topin; +static int treeout; +static int noalign; +static int distout; +static float lenfaca, lenfacb, lenfacc, lenfacd; +#if 0 +#define PLENFACA 0.0123 +#define PLENFACB 10252 +#define PLENFACC 10822 +#define PLENFACD 0.5 +#define DLENFACA 0.01 +#define DLENFACB 2445 +#define DLENFACC 2412 +#define DLENFACD 0.1 +#else +#define PLENFACA 0.01 +#define PLENFACB 10000 +#define PLENFACC 10000 +#define PLENFACD 0.1 +#define DLENFACA 0.01 +#define DLENFACB 2500 +#define DLENFACC 2500 +#define DLENFACD 0.1 +#endif + +#ifdef enablemultithread +typedef struct _treebasethread_arg +{ + int thread_no; + int njob; + int *nrunpt; + int *nlen; + int *jobpospt; + int ***topol; + Treedep *dep; + char **aseq; + double *effarr; + int *alloclenpt; + int *fftlog; + pthread_mutex_t *mutex; + pthread_cond_t *treecond; +} treebasethread_arg_t; + +typedef struct _distancematrixthread_arg +{ + int thread_no; + int njob; + int *jobpospt; + int **pointt; + float **mtx; + pthread_mutex_t *mutex; +} distancematrixthread_arg_t; +#endif + + +void arguments( int argc, char *argv[] ) +{ + int c; + + nthread = 1; + outnumber = 0; + topin = 0; + treein = 0; + treeout = 0; + distout = 0; + noalign = 0; + nevermemsave = 0; + inputfile = NULL; + nadd = 0; + addprofile = 1; + fftkeika = 0; + constraint = 0; + nblosum = 62; + fmodel = 0; + calledByXced = 0; + devide = 0; + use_fft = 0; + force_fft = 0; + fftscore = 1; + fftRepeatStop = 0; + fftNoAnchStop = 0; + weight = 3; + utree = 1; + tbutree = 1; + refine = 0; + check = 1; + cut = 0.0; + disp = 0; + outgap = 1; + alg = 'A'; + mix = 0; + tbitr = 0; + scmtd = 5; + tbweight = 0; + tbrweight = 3; + checkC = 0; + treemethod = 'X'; + contin = 0; + scoremtx = 1; + kobetsubunkatsu = 0; + dorp = NOTSPECIFIED; + ppenalty = -1530; + ppenalty_ex = NOTSPECIFIED; + poffset = -123; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + geta2 = GETA2; + fftWinSize = NOTSPECIFIED; + fftThreshold = NOTSPECIFIED; + TMorJTT = JTT; + scoreout = 0; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'I': + nadd = atoi( *++argv ); + fprintf( stderr, "nadd = %d\n", nadd ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kappa = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; +// fprintf( stderr, "blosum %d / kimura 200 \n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt/kimura %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "tm %d\n", pamN ); + --argc; + goto nextoption; + case 'C': + nthread = atoi( *++argv ); + fprintf( stderr, "nthread = %d\n", nthread ); + --argc; + goto nextoption; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'K': + addprofile = 0; + break; + case 'y': + distout = 1; + break; + case 't': + treeout = 1; + break; + case 'T': + noalign = 1; + break; + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'e': + fftscore = 0; + break; +#if 0 + case 'R': + fftRepeatStop = 1; + break; +#endif + case 'n' : + outnumber = 1; + break; + case 's': + treemethod = 's'; + break; + case 'X': + treemethod = 'X'; // mix + break; + case 'E': + treemethod = 'E'; // upg (average) + break; + case 'q': + treemethod = 'q'; // minimum + break; +#if 0 + case 'a': + alg = 'a'; + break; +#endif + case 'R': + alg = 'R'; + break; + case 'Q': + alg = 'Q'; + break; + case 'H': + alg = 'H'; + break; + case 'A': + alg = 'A'; + break; + case 'N': + nevermemsave = 1; + break; + case 'M': + alg = 'M'; + break; + case 'S': + scoreout = 1; + break; + case 'B': + break; + case 'F': + use_fft = 1; + break; + case 'G': + use_fft = 1; + force_fft = 1; + break; + case 'V': + topin = 1; + break; + case 'U': + treein = 1; + break; + case 'u': + weight = 0; + tbrweight = 0; + break; + case 'v': + tbrweight = 3; + break; + case 'd': + disp = 1; + break; +#if 1 + case 'O': + outgap = 0; + break; +#else + case 'O': + fftNoAnchStop = 1; + break; +#endif + case 'J': + tbutree = 0; + break; + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } +} + + + + +static int maxl; +static int tsize; + +void seq_grp_nuc( int *grp, char *seq ) +{ + int tmp; + int *grpbk = grp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 4 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\r", *(seq-1) ); + } + *grp = END_OF_VEC; + if( grp - grpbk < 6 ) + { +// fprintf( stderr, "\n\nWARNING: Too short.\nPlease also consider use mafft-ginsi, mafft-linsi or mafft-ginsi.\n\n\n" ); +// exit( 1 ); + *grpbk = -1; + } +} + +void seq_grp( int *grp, char *seq ) +{ + int tmp; + int *grpbk = grp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 6 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\r", *(seq-1) ); + } + *grp = END_OF_VEC; + if( grp - grpbk < 6 ) + { +// fprintf( stderr, "\n\nWARNING: Too short.\nPlease also consider use mafft-ginsi, mafft-linsi or mafft-ginsi.\n\n\n" ); +// exit( 1 ); + *grpbk = -1; + } +} + +void makecompositiontable_p( short *table, int *pointt ) +{ + int point; + + while( ( point = *pointt++ ) != END_OF_VEC ) + table[point]++; +} + +int commonsextet_p( short *table, int *pointt ) +{ + int value = 0; + short tmp; + int point; + static TLS short *memo = NULL; + static TLS int *ct = NULL; + static TLS int *cp; + + if( table == NULL ) + { + if( memo ) free( memo ); + if( ct ) free( ct ); + return( 0 ); + } + + if( *pointt == -1 ) + return( 0 ); + + if( !memo ) + { + memo = (short *)calloc( tsize, sizeof( short ) ); + if( !memo ) ErrorExit( "Cannot allocate memo\n" ); + ct = (int *)calloc( MIN( maxl, tsize )+1, sizeof( int ) ); + if( !ct ) ErrorExit( "Cannot allocate memo\n" ); + } + + cp = ct; + while( ( point = *pointt++ ) != END_OF_VEC ) + { + tmp = memo[point]++; + if( tmp < table[point] ) + value++; + if( tmp == 0 ) *cp++ = point; + } + *cp = END_OF_VEC; + + cp = ct; + while( *cp != END_OF_VEC ) + memo[*cp++] = 0; + + return( value ); +} + +void makepointtable_nuc( int *pointt, int *n ) +{ + int point; + register int *p; + + if( *n == -1 ) + { + *pointt = -1; + return; + } + + p = n; + point = *n++ * 1024; + point += *n++ * 256; + point += *n++ * 64; + point += *n++ * 16; + point += *n++ * 4; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 1024; + point *= 4; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +void makepointtable( int *pointt, int *n ) +{ + int point; + register int *p; + + if( *n == -1 ) + { + *pointt = -1; + return; + } + + p = n; + point = *n++ * 7776; + point += *n++ * 1296; + point += *n++ * 216; + point += *n++ * 36; + point += *n++ * 6; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 7776; + point *= 6; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +#ifdef enablemultithread +static void *distancematrixthread( void *arg ) +{ + distancematrixthread_arg_t *targ = (distancematrixthread_arg_t *)arg; + int thread_no = targ->thread_no; + int njob = targ->njob; + int *jobpospt = targ->jobpospt; + int **pointt = targ->pointt; + float **mtx = targ->mtx; + + short *table1; + int i, j; + + while( 1 ) + { + pthread_mutex_lock( targ->mutex ); + i = *jobpospt; + if( i == njob ) + { + pthread_mutex_unlock( targ->mutex ); + commonsextet_p( NULL, NULL ); + return( NULL ); + } + *jobpospt = i+1; + pthread_mutex_unlock( targ->mutex ); + + table1 = (short *)calloc( tsize, sizeof( short ) ); + if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); + if( i % 10 == 0 ) + { + fprintf( stderr, "\r% 5d / %d (thread %4d)", i+1, njob, thread_no ); + } + makecompositiontable_p( table1, pointt[i] ); + + for( j=i; jthread_no; + int *nrunpt = targ->nrunpt; + int njob = targ->njob; + int *nlen = targ->nlen; + int *jobpospt = targ->jobpospt; + int ***topol = targ->topol; + Treedep *dep = targ->dep; + char **aseq = targ->aseq; + double *effarr = targ->effarr; + int *alloclen = targ->alloclenpt; + int *fftlog = targ->fftlog; + + char **mseq1, **mseq2; + char **localcopy; + int i, j, l; + int len1, len2; + int clus1, clus2; + float pscore, tscore; + char *indication1, *indication2; + double *effarr1 = NULL; + double *effarr2 = NULL; + float dumfl = 0.0; + int ffttry; + int m1, m2; +#if 0 + int i, j; +#endif + + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + localcopy = calloc( njob, sizeof( char * ) ); + effarr1 = AllocateDoubleVec( njob ); + effarr2 = AllocateDoubleVec( njob ); + indication1 = AllocateCharVec( 150 ); + indication2 = AllocateCharVec( 150 ); + + +#if 0 + fprintf( stderr, "##### fftwinsize = %d, fftthreshold = %d\n", fftWinSize, fftThreshold ); +#endif + +#if 0 + for( i=0; imutex ); + l = *jobpospt; + if( l == njob-1 ) + { + pthread_mutex_unlock( targ->mutex ); + if( commonIP ) FreeIntMtx( commonIP ); + commonIP = NULL; + Falign( NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, 0, NULL ); + free( mseq1 ); + free( mseq2 ); + free( localcopy ); + free( effarr1 ); + free( effarr2 ); + free( indication1 ); + free( indication2 ); + return( NULL ); + } + *jobpospt = l+1; + + if( dep[l].child0 != -1 ) + { + while( dep[dep[l].child0].done == 0 ) + pthread_cond_wait( targ->treecond, targ->mutex ); + } + if( dep[l].child1 != -1 ) + { + while( dep[dep[l].child1].done == 0 ) + pthread_cond_wait( targ->treecond, targ->mutex ); + } + while( *nrunpt >= nthread ) + pthread_cond_wait( targ->treecond, targ->mutex ); + (*nrunpt)++; + + m1 = topol[l][0][0]; + m2 = topol[l][1][0]; + + len1 = strlen( aseq[m1] ); + len2 = strlen( aseq[m2] ); + if( *alloclen <= len1 + len2 ) + { + fprintf( stderr, "\nReallocating.." ); + *alloclen = ( len1 + len2 ) + 1000; + ReallocateCharMtx( aseq, njob, *alloclen + 10 ); + fprintf( stderr, "done. *alloclen = %d\n", *alloclen ); + } + + for( i=0; (j=topol[l][0][i])!=-1; i++ ) + { + localcopy[j] = calloc( *alloclen, sizeof( char ) ); + strcpy( localcopy[j], aseq[j] ); + } + for( i=0; (j=topol[l][1][i])!=-1; i++ ) + { + localcopy[j] = calloc( *alloclen, sizeof( char ) ); + strcpy( localcopy[j], aseq[j] ); + } + pthread_mutex_unlock( targ->mutex ); + +#if 1 // CHUUI@@@@ + clus1 = fastconjuction_noname( topol[l][0], localcopy, mseq1, effarr1, effarr, indication1 ); + clus2 = fastconjuction_noname( topol[l][1], localcopy, mseq2, effarr2, effarr, indication2 ); +#else + clus1 = fastconjuction_noweight( topol[l][0], localcopy, mseq1, effarr1, indication1 ); + clus2 = fastconjuction_noweight( topol[l][1], localcopy, mseq2, effarr2, indication2 ); +#endif + + +#if 0 + for( i=0; i 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); + fprintf( stderr, "group2 = %.66s", indication2 ); + if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); +#endif + +/* + fprintf( stderr, "before align all\n" ); + display( aseq, njob ); + fprintf( stderr, "\n" ); + fprintf( stderr, "before align 1 %s \n", indication1 ); + display( mseq1, clus1 ); + fprintf( stderr, "\n" ); + fprintf( stderr, "before align 2 %s \n", indication2 ); + display( mseq2, clus2 ); + fprintf( stderr, "\n" ); +*/ + + + if( !nevermemsave && ( alg != 'M' && ( len1 > 30000 || len2 > 30000 ) ) ) + { + fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode\n", len1, len2 ); + alg = 'M'; + if( commonIP ) FreeIntMtx( commonIP ); + commonAlloc1 = 0; + commonAlloc2 = 0; + } + +// if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); + if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 1000 && clus2 < 1000); + else ffttry = 0; +// ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 5000 && clus2 < 5000); // v6.708 +// fprintf( stderr, "f=%d, len1/fftlog[m1]=%f, clus1=%d, len2/fftlog[m2]=%f, clus2=%d\n", ffttry, (float)len1/fftlog[m1], clus1, (float)len2/fftlog[m2], clus2 ); + + if( force_fft || ( use_fft && ffttry ) ) + { + fprintf( stderr, "f" ); + if( alg == 'M' ) + { + fprintf( stderr, "m" ); + pscore = Falign_udpari_long( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1 ); + } + else + { + pscore = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); + } + } + else + { + fprintf( stderr, "d" ); + fftlog[m1] = 0; + switch( alg ) + { + case( 'a' ): + pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); + break; + case( 'M' ): + fprintf( stderr, "m" ); +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + break; + case( 'Q' ): + if( clus1 == 1 && clus2 == 1 && 0 ) + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); + } + else + { + pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + } + break; + case( 'R' ): + pscore = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'H' ): + pscore = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'A' ): + if( clus1 == 1 && clus2 == 1 ) + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); + } + else + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + } + break; + default: + ErrorExit( "ERROR IN SOURCE FILE" ); + } + } +#if SCOREOUT + fprintf( stderr, "score = %10.2f\n", pscore ); +#endif + tscore += pscore; + nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); + + + if( disp ) display( localcopy, njob ); + + pthread_mutex_lock( targ->mutex ); + dep[l].done = 1; + (*nrunpt)--; + pthread_cond_broadcast( targ->treecond ); + + for( i=0; (j=topol[l][0][i])!=-1; i++ ) + strcpy( aseq[j], localcopy[j] ); + for( i=0; (j=topol[l][1][i])!=-1; i++ ) + strcpy( aseq[j], localcopy[j] ); + pthread_mutex_unlock( targ->mutex ); + + for( i=0; (j=topol[l][0][i])!=-1; i++ ) + free( localcopy[j] ); + for( i=0; (j=topol[l][1][i])!=-1; i++ ) + free( localcopy[j] ); + free( topol[l][0] ); + free( topol[l][1] ); + free( topol[l] ); + + +// fprintf( stderr, "\n" ); + } +#if SCOREOUT + fprintf( stderr, "totalscore = %10.2f\n\n", tscore ); +#endif +} +#endif + +static void treebase( int *nlen, char **aseq, int nadd, char *mergeoralign, char **mseq1, char **mseq2, int ***topol, double *effarr, int *alloclen ) +{ + int l, len1, len2, i, m; + int len1nocommongap, len2nocommongap; + int clus1, clus2; + float pscore, tscore; + static char *indication1, *indication2; + static double *effarr1 = NULL; + static double *effarr2 = NULL; + static int *fftlog; // fixed at 2006/07/26 + float dumfl = 0.0; + int ffttry; + int m1, m2; + static int *gaplen; + static int *gapmap; + static int *alreadyaligned; +#if 0 + int i, j; +#endif + + if( effarr1 == NULL ) + { + effarr1 = AllocateDoubleVec( njob ); + effarr2 = AllocateDoubleVec( njob ); + indication1 = AllocateCharVec( 150 ); + indication2 = AllocateCharVec( 150 ); + fftlog = AllocateIntVec( njob ); + gaplen = AllocateIntVec( *alloclen+10 ); + gapmap = AllocateIntVec( *alloclen+10 ); + alreadyaligned = AllocateIntVec( njob ); + } + for( i=0; i 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); + fprintf( stderr, "group2 = %.66s", indication2 ); + if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); +#endif + +/* + fprintf( stderr, "before align all\n" ); + display( aseq, njob ); + fprintf( stderr, "\n" ); + fprintf( stderr, "before align 1 %s \n", indication1 ); + display( mseq1, clus1 ); + fprintf( stderr, "\n" ); + fprintf( stderr, "before align 2 %s \n", indication2 ); + display( mseq2, clus2 ); + fprintf( stderr, "\n" ); +*/ + + + if( !nevermemsave && ( alg != 'M' && ( len1 > 30000 || len2 > 30000 ) ) ) + { + fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode\n", len1, len2 ); + alg = 'M'; + if( commonIP ) FreeIntMtx( commonIP ); + commonAlloc1 = 0; + commonAlloc2 = 0; + } + +// if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); + if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 1000 && clus2 < 1000); + else ffttry = 0; +// ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 5000 && clus2 < 5000); // v6.708 +// fprintf( stderr, "f=%d, len1/fftlog[m1]=%f, clus1=%d, len2/fftlog[m2]=%f, clus2=%d\n", ffttry, (float)len1/fftlog[m1], clus1, (float)len2/fftlog[m2], clus2 ); + + if( force_fft || ( use_fft && ffttry ) ) + { + fprintf( stderr, "f" ); + if( alg == 'M' ) + { + fprintf( stderr, "m" ); + pscore = Falign_udpari_long( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1 ); + } + else + { + pscore = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); + } + } + else + { + fprintf( stderr, "d" ); + fftlog[m1] = 0; + switch( alg ) + { + case( 'a' ): + pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); + break; + case( 'M' ): + fprintf( stderr, "m" ); +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + break; + case( 'Q' ): + if( clus1 == 1 && clus2 == 1 && 0 ) + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); + } + else + { + pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + } + break; + case( 'R' ): + pscore = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'H' ): + pscore = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'A' ): + if( clus1 == 1 && clus2 == 1 ) + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); + } + else + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + } + break; + default: + ErrorExit( "ERROR IN SOURCE FILE" ); + } + } +#if SCOREOUT + fprintf( stderr, "score = %10.2f\n", pscore ); +#endif + tscore += pscore; + nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); + +// writePre( njob, name, nlen, aseq, 0 ); + + if( disp ) display( aseq, njob ); +// fprintf( stderr, "\n" ); + + if( mergeoralign[l] == '1' ) // jissainiha nai. atarashii hairetsu ha saigo dakara. + { + adjustgapmap( strlen( mseq2[0] )-len2nocommongap+len2, gapmap, mseq2[0] ); + restorecommongaps( njob, aseq, topol[l][0], topol[l][1], gapmap, *alloclen ); + findnewgaps( clus2, mseq2, gaplen ); + insertnewgaps( njob, alreadyaligned, aseq, topol[l][1], topol[l][0], gaplen, gapmap, *alloclen, alg ); + for( i=0; i-1; i++ ) alreadyaligned[m] = 1; + } + if( mergeoralign[l] == '2' ) + { + adjustgapmap( strlen( mseq1[0] )-len1nocommongap+len1, gapmap, mseq1[0] ); +// fprintf( stderr, ">STEP1 mseq1[0] = \n%s\n", mseq1[0] ); +// fprintf( stderr, ">STEP1 mseq2[0] = \n%s\n", mseq2[0] ); + restorecommongaps( njob, aseq, topol[l][0], topol[l][1], gapmap, *alloclen ); +// fprintf( stderr, "STEP2 mseq1[0] = %s\n", mseq1[0] ); +// fprintf( stderr, "STEP2 mseq2[0] = %s\n", mseq2[0] ); + findnewgaps( clus1, mseq1, gaplen ); + insertnewgaps( njob, alreadyaligned, aseq, topol[l][0], topol[l][1], gaplen, gapmap, *alloclen, alg ); +// fprintf( stderr, "STEP3 mseq1[0] = %s\n", mseq1[0] ); +// fprintf( stderr, "STEP3 mseq2[0] = %s\n", mseq2[0] ); + for( i=0; i-1; i++ ) alreadyaligned[m] = 1; + } + + free( topol[l][0] ); + free( topol[l][1] ); + free( topol[l] ); + } +#if SCOREOUT + fprintf( stderr, "totalscore = %10.2f\n\n", tscore ); +#endif +} + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( treemethod == 'X' ) + fprintf( fp, "Tree = UPGMA (mix).\n" ); + else if( treemethod == 'E' ) + fprintf( fp, "Tree = UPGMA (average).\n" ); + else if( treemethod == 'q' ) + fprintf( fp, "Tree = Minimum linkage.\n" ); + else + fprintf( fp, "Unknown tree.\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int *nlen; + static int *nogaplen; + static char **name, **seq; + static char **mseq1, **mseq2; + static char **bseq; + static double *eff; + int i, j; + static int ***topol; + static int *addmem; + static Treedep *dep; + static float **len; + FILE *infp; +// FILE *adfp; + char c; + int alloclen; + float longer, shorter; + float lenfac; + float bunbo; + + FILE *orderfp, *hat2p; + int *grpseq; + char *tmpseq; + int **pointt; + float **mtx = NULL; // by D. Mathog + static short *table1; + char b[B]; + int ien; + double unweightedspscore; + int alignmentlength; + char *mergeoralign; + int foundthebranch; + + arguments( argc, argv ); +#ifndef enablemultithread + nthread = 0; +#endif + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + getnumlen( infp ); + rewind( infp ); + + if( njob > 20000 ) + { + fprintf( stderr, "The number of sequences must be < %d\n", 20000 ); + fprintf( stderr, "Please try the --parttree option for such large data.\n" ); + exit( 1 ); + } + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*1+1 ); + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + + topol = AllocateIntCub( njob, 2, 0 ); + len = AllocateFloatMtx( njob, 2 ); + eff = AllocateDoubleVec( njob ); + mergeoralign = AllocateCharVec( njob ); + + dep = (Treedep *)calloc( njob, sizeof( Treedep ) ); + + if( nadd ) addmem = AllocateIntVec( nadd+1 ); + +#if 0 + Read( name, nlen, seq ); + readData( infp, name, nlen, seq ); +#else + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + nogaplen = AllocateIntVec( njob ); + readData_pointer( infp, name, nlen, seq ); + fclose( infp ); +#endif + + constants( njob, seq ); + + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illegal character %c\n", c ); + exit( 1 ); + } + + fprintf( stderr, "\n" ); + + if( !treein ) + { + fprintf( stderr, "\n\nMaking a distance matrix ..\n" ); + fflush( stderr ); + + tmpseq = AllocateCharVec( nlenmax+1 ); + grpseq = AllocateIntVec( nlenmax+1 ); + pointt = AllocateIntMtx( njob, nlenmax+1 ); + mtx = AllocateFloatHalfMtx( njob ); + if( dorp == 'd' ) tsize = (int)pow( 4, 6 ); + else tsize = (int)pow( 6, 6 ); + + if( dorp == 'd' ) + { + lenfaca = DLENFACA; + lenfacb = DLENFACB; + lenfacc = DLENFACC; + lenfacd = DLENFACD; + } + else + { + lenfaca = PLENFACA; + lenfacb = PLENFACB; + lenfacc = PLENFACC; + lenfacd = PLENFACD; + } + + maxl = 0; + for( i=0; i maxl ) maxl = nogaplen[i]; + if( dorp == 'd' ) /* nuc */ + { + seq_grp_nuc( grpseq, tmpseq ); + makepointtable_nuc( pointt[i], grpseq ); + } + else /* amino */ + { + seq_grp( grpseq, tmpseq ); + makepointtable( pointt[i], grpseq ); + } + } +#ifdef enablemultithread + if( nthread > 0 ) + { + distancematrixthread_arg_t *targ; + int jobpos; + pthread_t *handle; + pthread_mutex_t mutex; + + jobpos = 0; + targ = calloc( nthread, sizeof( distancematrixthread_arg_t ) ); + handle = calloc( nthread, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex, NULL ); + + for( i=0; i nogaplen[j] ) + { + longer=(float)nogaplen[i]; + shorter=(float)nogaplen[j]; + } + else + { + longer=(float)nogaplen[j]; + shorter=(float)nogaplen[i]; + } +// lenfac = 3.0 / ( LENFACA + LENFACB / ( longer + LENFACC ) + shorter / longer * LENFACD ); + lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); +// lenfac = 1.0; +// fprintf( stderr, "lenfac = %f (%.0f,%.0f)\n", lenfac, longer, shorter ); + bunbo = MIN( mtx[i][0], mtx[j][0] ); + if( bunbo == 0.0 ) + mtx[i][j-i] = 1.0; + else + mtx[i][j-i] = ( 1.0 - mtx[i][j-i] / bunbo ) * lenfac; +// fprintf( stdout, "##### mtx = %f, mtx[i][0]=%f, mtx[j][0]=%f, bunbo=%f\n", mtx[i][j-i], mtx[i][0], mtx[j][0], bunbo ); + } + } + if( disopt ) + { + for( i=0; i 0 && nadd == 0 ) + { + treebasethread_arg_t *targ; + int jobpos; + pthread_t *handle; + pthread_mutex_t mutex; + pthread_cond_t treecond; + int *fftlog; + int nrun; + int nthread_yoyu; + + nthread_yoyu = nthread * 1; + nrun = 0; + jobpos = 0; + targ = calloc( nthread_yoyu, sizeof( treebasethread_arg_t ) ); + fftlog = AllocateIntVec( njob ); + handle = calloc( nthread_yoyu, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex, NULL ); + pthread_cond_init( &treecond, NULL ); + + for( i=0; i +#include +#define DEBUG 0 +#define TEST 0 + + +int howmanyx( char *s ) +{ + int val = 0; + if( scoremtx == -1 ) + { + do + { + if( !strchr( "atgcuATGCU", *s ) ) val++; + } while( *++s ); + } + else + { + do + { + if( !strchr( "ARNDCQEGHILKMFPSTWYV", *s ) ) val++; + } while( *++s ); + } + return( val ); +} + +void arguments( int argc, char *argv[] ) +{ + int c; + + inputfile = NULL; + disopt = 0; + divpairscore = 0; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'I': + disopt = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + + } + if( argc != 0 ) + { + fprintf( stderr, "options: -i\n" ); + exit( 1 ); + } +} + +int main( int argc, char *argv[] ) +{ + int ktuple; + int i, j; + FILE *infp; + FILE *hat2p; + FILE *hat3p; + char **seq = NULL; // by D.Mathog + char **seq1; + static char name[M][B]; + static char name1[M][B]; + static int nlen1[M]; + double **mtx; + double **mtx2; + static int nlen[M]; + char b[B]; + double max; + char com[1000]; + int opt[M]; + int res; + char *home; + char queryfile[B]; + char datafile[B]; + char fastafile[B]; + char hat2file[B]; + int pid = (int)getpid(); + LocalHom **localhomtable, *tmpptr; +#if 1 + home = getenv( "HOME" ); +#else /* $HOME wo tsukau to fasta ni watasu hikisuu ga afureru */ + home = NULL; +#endif + +#if DEBUG + if( home ) fprintf( stderr, "home = %s\n", home ); +#endif + if( !home ) home = ""; + sprintf( queryfile, "%s/tmp/query-%d", home, pid ); + sprintf( datafile, "%s/tmp/data-%d", home, pid ); + sprintf( fastafile, "%s/tmp/fasta-%d", home, pid ); + sprintf( hat2file, "hat2-%d", pid ); + + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; +#if 0 + PreRead( infp, &njob, &nlenmax ); +#else + dorp = NOTSPECIFIED; + getnumlen( infp ); +#endif + + if( dorp == 'd' ) + { + scoremtx = -1; + pamN = NOTSPECIFIED; + } + else + { + nblosum = 62; + scoremtx = 1; + } + constants( njob, seq ); + + rewind( infp ); + + seq = AllocateCharMtx( njob, nlenmax+1 ); + seq1 = AllocateCharMtx( 2, nlenmax+1 ); + mtx = AllocateDoubleMtx( njob, njob ); + mtx2 = AllocateDoubleMtx( njob, njob ); + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; i %s", queryfile, datafile, fastafile ); + else + sprintf( com, "blastall -G 10 -E 1 -e 1e10 -p blastp -m 7 -i %s -d %s > %s", queryfile, datafile, fastafile ); + res = system( com ); + if( res ) ErrorExit( "error in fasta" ); + + + hat2p = fopen( fastafile, "r" ); + if( hat2p == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + res = ReadBlastm7( hat2p, mtx[i], i, name1, localhomtable[i] ); + fclose( hat2p ); + +#if 0 + for( j=0; jnext ) + { + if( tmpptr->opt == -1.0 ) continue; +// fprintf( stderr, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->next ); + } + } +#endif + + if( res < njob-i+i%10 ) + { + fprintf( stderr, "WARNING: count (blast) = %d < %d\n", res, njob-i+i%10 ); + } + + +#if 0 + { + int ii, jj; + if( i < njob-1 ) for( jj=i; jj j ) continue; + if( mtx[j][i] > mtx[i][j] ) continue; + for( tmpptr=localhomtable[i]+j; tmpptr; tmpptr=tmpptr->next ) + { + if( tmpptr->opt == -1.0 ) continue; + fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, (void *)tmpptr->next ); + } + } + fclose( hat3p ); +#endif + + for( i=0; i %s", M, M, 0, queryfile, datafile, ktuple, fastafile ); + else + sprintf( com, "fasta34 -z3 -m10 -Q -b%d -E%d -d%d %s %s %d > %s", M, M, 0, queryfile, datafile, ktuple, fastafile ); + res = system( com ); + if( res ) ErrorExit( "error in fasta" ); + + + hat2p = fopen( fastafile, "r" ); + if( hat2p == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + res = ReadFasta34noalign( hat2p, mtx[i], i, name1, localhomtable[i] ); + fclose( hat2p ); + if( res < njob - i ) + { + fprintf( stderr, "count (fasta34 -z 3) = %d\n", res ); + exit( 1 ); + } + + + if( i == 0 ) + for( j=0; j %f\n", max, i+1, j+1, mtx[i][j], mtx2[i][j] ); + } + } + } + for( i=0; i +#include +#define DEBUG 0 +#define TEST 0 + + +int howmanyx( char *s ) +{ + int val = 0; + if( scoremtx == -1 ) + { + do + { + if( !strchr( "atgcuATGCU", *s ) ) val++; + } while( *++s ); + } + else + { + do + { + if( !strchr( "ARNDCQEGHILKMFPSTWYV", *s ) ) val++; + } while( *++s ); + } + return( val ); +} + +void arguments( int argc, char *argv[] ) +{ + int c; + + disopt = 0; + + while( --argc > 0 && (*++argv)[0] == '-' ) + while ( c = *++argv[0] ) + switch( c ) + { + case 'i': + disopt = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + if( argc != 0 ) + { + fprintf( stderr, "options: -i\n" ); + exit( 1 ); + } +} + +int main( int argc, char *argv[] ) +{ + int ktuple; + int i, j; + FILE *hat2p; + char **seq; + char **seq1; + static char name[M][B]; + static char name1[M][B]; + static int nlen1[M]; + double **mtx; + double **mtx2; + static int nlen[M]; + char b[B]; + double max; + char com[B]; + int opt[M]; + int res; + char *home; + char queryfile[B]; + char datafile[B]; + char fastafile[B]; + char hat2file[B]; + int pid = (int)getpid(); +#if 0 + home = getenv( "HOME" ); +#else /* $HOME wo tsukau to fasta ni watasu hikisuu ga afureru */ + home = NULL; +#endif + +#if DEBUG + if( home ) fprintf( stderr, "home = %s\n", home ); +#endif + if( !home ) home = ""; + sprintf( queryfile, "%s/tmp/query-%d\0", home, pid ); + sprintf( datafile, "%s/tmp/data-%d\0", home, pid ); + sprintf( fastafile, "%s/tmp/fasta-%d\0", home, pid ); + sprintf( hat2file, "hat2-%d\0", pid ); + + arguments( argc, argv ); +#if 0 + PreRead( stdin, &njob, &nlenmax ); +#else + getnumlen( stdin ); +#endif + rewind( stdin ); + + seq = AllocateCharMtx( njob, nlenmax+1 ); + seq1 = AllocateCharMtx( 2, nlenmax+1 ); + mtx = AllocateDoubleMtx( njob, njob ); + mtx2 = AllocateDoubleMtx( njob, njob ); + +#if 0 + FRead( stdin, name, nlen, seq ); +#else + readData( stdin, name, nlen, seq ); +#endif + if( scoremtx == -1 ) ktuple = 6; + else ktuple = 1; + + for( i=0; i %s\0", M, M, 0, queryfile, datafile, ktuple, fastafile ); + else + sprintf( com, "fasta3 -Q -h -b%d -E%d -d%d %s %s %d > %s\0", M, M, 0, queryfile, datafile, ktuple, fastafile ); + res = system( com ); + if( res ) ErrorExit( "error in fasta" ); + + hat2p = fopen( fastafile, "r" ); + if( hat2p == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + ReadFasta3( hat2p, mtx[i], njob-i, name1 ); + + if( i == 0 ) + for( j=0; j %f\n", max, i+1, j+1, mtx[i][j], mtx2[i][j] ); + } + } + } + for( i=0; i +#include +#define DEBUG 0 +#define TEST 0 + + +int howmanyx( char *s ) +{ + int val = 0; + if( scoremtx == -1 ) + { + do + { + if( !strchr( "atgcuATGCU", *s ) ) val++; + } while( *++s ); + } + else + { + do + { + if( !strchr( "ARNDCQEGHILKMFPSTWYV", *s ) ) val++; + } while( *++s ); + } + return( val ); +} + +void arguments( int argc, char *argv[] ) +{ + int c; + + inputfile = NULL; + disopt = 0; + divpairscore = 0; + swopt = ""; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'I': + disopt = 1; + break; + case 'A': + swopt = "-A"; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: -i\n" ); + exit( 1 ); + } +} + +int main( int argc, char *argv[] ) +{ + int ktuple; + int i, j; + FILE *hat2p; + FILE *hat3p; + FILE *infp; + char **seq = NULL; // by D.Mathog + char **seq1; + static char name[M][B]; + static char name1[M][B]; + static int nlen1[M]; + double **mtx; + double **mtx2; + static int nlen[M]; + char b[B]; + double max; + char com[1000]; + int opt[M]; + int res; + char *home; + char *fastapath; + char queryfile[B]; + char datafile[B]; + char fastafile[B]; + char hat2file[B]; + int pid = (int)getpid(); + LocalHom **localhomtable, *tmpptr; +#if 0 + home = getenv( "HOME" ); +#else /* $HOME wo tsukau to fasta ni watasu hikisuu ga afureru */ + home = NULL; +#endif + fastapath = getenv( "FASTA_4_MAFFT" ); + if( !fastapath ) + fastapath = "fasta34"; + +#if DEBUG + if( home ) fprintf( stderr, "home = %s\n", home ); +#endif + if( !home ) home = ""; + sprintf( queryfile, "%s/tmp/query-%d", home, pid ); + sprintf( datafile, "%s/tmp/data-%d", home, pid ); + sprintf( fastafile, "%s/tmp/fasta-%d", home, pid ); + sprintf( hat2file, "hat2-%d", pid ); + + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + + +#if 0 + PreRead( stdin, &njob, &nlenmax ); +#else + dorp = NOTSPECIFIED; + getnumlen( infp ); +#endif + + if( dorp == 'd' ) + { + scoremtx = -1; + pamN = NOTSPECIFIED; + } + else + { + nblosum = 62; + scoremtx = 1; + } + constants( njob, seq ); + + rewind( infp ); + + seq = AllocateCharMtx( njob, nlenmax+1 ); + seq1 = AllocateCharMtx( 2, nlenmax+1 ); + mtx = AllocateDoubleMtx( njob, njob ); + mtx2 = AllocateDoubleMtx( njob, njob ); + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; i %s", fastapath, swopt, M, M, M, queryfile, datafile, ktuple, fastafile ); + else + sprintf( com, "%s %s -z3 -m10 -Q -b%d -E%d -d%d %s %s %d > %s", fastapath, swopt, M, M, M, queryfile, datafile, ktuple, fastafile ); + res = system( com ); + if( res ) ErrorExit( "error in fasta" ); + + + + hat2p = fopen( fastafile, "r" ); + if( hat2p == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + if( scoremtx == -1 ) + res = ReadFasta34m10_nuc( hat2p, mtx[i], i, name1, localhomtable[i] ); + else + res = ReadFasta34m10( hat2p, mtx[i], i, name1, localhomtable[i] ); + fclose( hat2p ); + + if( res < njob - i ) + { + fprintf( stderr, "count (fasta34 -z 3) = %d\n", res ); + exit( 1 ); + } + + + if( i == 0 ) + for( j=0; j %f\n", max, i+1, j+1, mtx[i][j], mtx2[i][j] ); + } + } + } + for( i=0; inext ) + { + if( tmpptr->opt == -1.0 ) continue; + fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, (void *)tmpptr->next ); + } + } + fclose( hat3p ); +#endif + + sprintf( com, "/bin/rm %s %s %s", queryfile, datafile, fastafile ); + system( com ); + +#if 0 + sprintf( com, ALNDIR "/supgsdl < %s", hat2file ); + res = system( com ); + if( res ) ErrorExit( "error in spgsdl" ); +#endif + + sprintf( com, "mv %s hat2", hat2file ); + res = system( com ); + if( res ) ErrorExit( "error in mv" ); + + SHOWVERSION; + exit( 0 ); +} diff --git a/binaries/src/mafft/core/dndpre.c b/binaries/src/mafft/core/dndpre.c new file mode 100644 index 0000000..c0be891 --- /dev/null +++ b/binaries/src/mafft/core/dndpre.c @@ -0,0 +1,277 @@ +#include "mltaln.h" + +#define TEST 0 + +static int treeout = 0; + +#ifdef enablemultithread +typedef struct _jobtable +{ + int i; + int j; +} Jobtable; + +typedef struct _thread_arg +{ + int njob; + int thread_no; + float *selfscore; + double **mtx; + char **seq; + Jobtable *jobpospt; + pthread_mutex_t *mutex; +} thread_arg_t; + +void *athread( void *arg ) +{ + thread_arg_t *targ = (thread_arg_t *)arg; + int njob = targ->njob; + int thread_no = targ->thread_no; + float *selfscore = targ->selfscore; + double **mtx = targ->mtx; + char **seq = targ->seq; + Jobtable *jobpospt = targ->jobpospt; + + int i, j; + float ssi, ssj, bunbo; + + while( 1 ) + { + pthread_mutex_lock( targ->mutex ); + j = jobpospt->j; + i = jobpospt->i; + j++; + if( j == njob ) + { + fprintf( stderr, "%4d/%4d (thread %4d), dndpre\r", i+1, njob, thread_no ); + i++; + j = i + 1; + if( i == njob-1 ) + { + pthread_mutex_unlock( targ->mutex ); + return( NULL ); + } + } + jobpospt->j = j; + jobpospt->i = i; + pthread_mutex_unlock( targ->mutex ); + + ssi = selfscore[i]; + ssj = selfscore[j]; + + bunbo = MIN( ssi, ssj ); + if( bunbo == 0.0 ) + mtx[i][j] = 1.0; + else + mtx[i][j] = 1.0 - (double)naivepairscore11( seq[i], seq[j], penalty ) / bunbo; + } +} + +#endif + +void arguments( int argc, char *argv[] ) +{ + int c; + + nthread = 1; + alg = 'X'; + fmodel = 0; + treeout = 0; + scoremtx = 1; + nblosum = 62; + dorp = NOTSPECIFIED; + inputfile = NULL; + ppenalty = NOTSPECIFIED; //? + ppenalty_ex = NOTSPECIFIED; //? + poffset = NOTSPECIFIED; //? + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 't': + treeout = '1'; + break; + case 'D': + dorp = 'd'; + break; + case 'a': + fmodel = 1; + break; + case 'P': + dorp = 'p'; + break; + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'C': + nthread = atoi( *++argv ); + fprintf( stderr, "nthread = %d\n", nthread ); + --argc; + goto nextoption; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + +int main( int argc, char **argv ) +{ + int i, j; + char **seq; + static char **name; + static int nlen[M]; + float *selfscore; + double **mtx; + FILE *fp; + FILE *infp; + float ssi, ssj, bunbo; + + + arguments( argc, argv ); +#ifndef enablemultithread + nthread = 0; +#endif + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + +#if 0 + PreRead( stdin, &njob, &nlenmax ); +#else + getnumlen( infp ); +#endif + rewind( infp ); + + seq = AllocateCharMtx( njob, nlenmax+1 ); + name = AllocateCharMtx( njob, B+1 ); + mtx = AllocateDoubleMtx( njob, njob ); + selfscore = AllocateFloatVec( njob ); + +#if 0 + FRead( stdin, name, nlen, seq ); +#else + readData_pointer( infp, name, nlen, seq ); +#endif + fclose( infp ); + + constants( njob, seq ); + +#if 0 + for( i=0; i 0 ) + { + thread_arg_t *targ; + Jobtable jobpos; + pthread_t *handle; + pthread_mutex_t mutex; + + jobpos.i = 0; + jobpos.j = 0; + + targ = calloc( nthread, sizeof( thread_arg_t ) ); + handle = calloc( nthread, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex, NULL ); + + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; + fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + fmodel = 1; + break; + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +int main( int argc, char *argv[] ) +{ + static int nlen[M]; + static char name[M][B], **seq; + int i, j, alloclen, c; + double **mtx; + double *self; + double tmpdouble; + FILE *fp; + + arguments( argc, argv ); + + getnumlen( stdin ); + rewind( stdin ); + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*9+1 ); + mtx = AllocateDoubleMtx( njob, njob ); + self = AllocateDoubleVec( njob ); + alloclen = nlenmax*9; + + readData( stdin, name, nlen, seq ); + constants( njob, seq ); + + + + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illeagal character %c\n", c ); + exit( 1 ); + } + + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'I': + niter = atoi( *++argv ); + fprintf( stderr, "niter = %d\n", niter ); + --argc; + goto nextoption; + case 'e': + RNApthr = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'o': + RNAppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kappa = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; + fprintf( stderr, "blosum %d / kimura 200\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt/kimura %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "tm %d\n", pamN ); + --argc; + goto nextoption; + case 'l': + fastathreshold = atof( *++argv ); + constraint = 2; + --argc; + goto nextoption; + case 'r': + consweight_rna = atof( *++argv ); + rnakozo = 1; + --argc; + goto nextoption; + case 'c': + consweight_multi = atof( *++argv ); + --argc; + goto nextoption; + case 'C': + nthread = atoi( *++argv ); + fprintf( stderr, "nthread = %d\n", nthread ); + --argc; + goto nextoption; + case 't': + randomseed = atoi( *++argv ); + fprintf( stderr, "randomseed = %d\n", randomseed ); + --argc; + goto nextoption; + case 'p': + argkey = *++argv; + if( !strcmp( argkey, "BESTFIRST" ) ) parallelizationstrategy = BESTFIRST; + else if( !strcmp( argkey, "BAATARI0" ) ) parallelizationstrategy = BAATARI0; + else if( !strcmp( argkey, "BAATARI1" ) ) parallelizationstrategy = BAATARI1; + else if( !strcmp( argkey, "BAATARI2" ) ) parallelizationstrategy = BAATARI2; + else + { + fprintf( stderr, "Unknown parallelization strategy, %s\n", argkey ); + exit( 1 ); + } +// exit( 1 ); + --argc; + goto nextoption; + case 'S' : + scoreout = 1; + break; + case 's' : + RNAscoremtx = 'r'; + break; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'N': + nevermemsave = 1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'Q': + alg = 'Q'; + break; + case 'R': + rnaprediction = 'r'; + break; + case 'O': + fftNoAnchStop = 1; + break; +#if 0 + case 'e': + fftscore = 0; + break; + case 'r': + fmodel = -1; + break; + case 'R': + fftRepeatStop = 1; + break; +#endif + case 'T': + kobetsubunkatsu = 0; + break; + case 'B': + bunkatsu = 0; + break; +#if 0 + case 'c': + cooling = 1; + break; + case 'a': + alg = 'a'; + break; + case 's' : + treemethod = 's'; + break; +#endif + case 'H': + alg = 'H'; + break; + case 'A': + alg = 'A'; + break; + case 'M': + alg = 'M'; + break; + case 'F': + use_fft = 1; + break; +#if 0 + case 't': + weight = 4; + break; +#endif + case 'u': + weight = 0; + break; + case 'U': + intree = 1; + break; + case 'V': + intop = 1; + break; + case 'J': + utree = 0; + break; + case 'd': + disp = 1; + break; + case 'Z': + score_check = 0; + break; + case 'Y': + score_check = 2; + break; +#if 0 + case 'n' : + treemethod = 'n'; + break; +#endif + case 'n' : + outnumber = 1; + break; + case 'X' : + treemethod = 'X'; + break; + case 'E' : + treemethod = 'E'; + break; + case 'q' : + treemethod = 'q'; + break; + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options : Check source file!\n" ); + exit( 1 ); + } +#if 0 + if( alg == 'A' && weight == 0 ) + ErrorExit( "ERROR : Algorithm A+ and un-weighted\n" ); +#endif +} + + +int main( int argc, char *argv[] ) +{ + int identity; + static int nlen[M]; + static char **name, **seq, **aseq, **bseq; + static Segment *segment = NULL; + static int anchors[MAXSEG]; + int i, j; + int iseg, nseg; + int ***topol; + double **len; + double **eff; + FILE *prep; + FILE *infp; + int alloclen; + int returnvalue; + char c; + int ocut; + char **seq_g_bk; + LocalHom **localhomtable = NULL; // by D.Mathog + RNApair ***singlerna; + int nogaplen; + static char **nogap1seq; + static char *kozoarivec; + int nkozo; + + arguments( argc, argv ); +#ifndef enablemultithread + nthread = 0; +#endif + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + +#if 0 + PreRead( stdin, &njob, &nlenmax ); +#else + getnumlen( infp ); +#endif + rewind( infp ); + + nkozo = 0; + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + ocut = cut; + + segment = (Segment *)calloc( MAXSEG, sizeof( Segment ) ); +// if( treemethod == 'X' || treemethod == 'E' || treemethod == 'q' ) + topol = AllocateIntCub( njob, 2, njob ); + len = AllocateDoubleMtx( njob, 2 ); + eff = AllocateDoubleMtx( njob, njob ); + seq = AllocateCharMtx( njob, nlenmax*9+1 ); + name = AllocateCharMtx( njob, B+1 ); + seq_g = AllocateCharMtx( njob, nlenmax*9+1 ); + res_g = AllocateCharMtx( njob, nlenmax*9+1 ); + aseq = AllocateCharMtx( njob, nlenmax*9+1 ); + bseq = AllocateCharMtx( njob, nlenmax*9+1 ); + nogap1seq = AllocateCharMtx( 1, nlenmax*1+1 ); + alloclen = nlenmax * 9; + seq_g_bk = AllocateCharMtx( njob, 0 ); + for( i=0; i 30000 ) + if( nlenmax > 50000 ) // version >= 6.823 + { +#if 0 + if( constraint ) + { + fprintf( stderr, "\nnlenmax=%d, nagasugi!\n", nlenmax ); + exit( 1 ); + } + if( nevermemsave ) + { + fprintf( stderr, "\nnevermemsave=1, nlenmax=%d, nagasugi!\n", nlenmax ); + exit( 1 ); + } +#endif + if( !constraint && !nevermemsave && alg != 'M' ) + { + fprintf( stderr, "\nnlenmax=%d, Switching to the memsave mode\n", nlenmax ); + alg = 'M'; + } + } + +#if 0 + Read( name, nlen, seq_g ); +#else + readData_pointer( infp, name, nlen, seq_g ); +#endif + fclose( infp ); + + + for( i=0; i nlenmax ) nlenmax = nlen[i]; + i++; + } + } + if( nlenmax > N || njob > M ) + { + fprintf( stderr, "ERROR in main\n" ); + exit( 1 ); + } + /* + nlenmax = Na; + */ + rewind( stdin ); + value = main1( nlen, argc, argv ); + exit( 0 ); +} +#endif diff --git a/binaries/src/mafft/core/f2cl.c b/binaries/src/mafft/core/f2cl.c new file mode 100644 index 0000000..d8c9f2c --- /dev/null +++ b/binaries/src/mafft/core/f2cl.c @@ -0,0 +1,273 @@ +#include "mltaln.h" + +#define DEBUG 0 + + +static char *comment; +static char *orderfile; +static int format; +static int namelen; + +static void fillspace( char *seq, int lenmax ) +{ + int len = strlen( seq ); + seq += len; + lenmax -= len; + while( lenmax-- ) *seq++ = ' '; + *seq = 0; +} + +void setmark_clustal( int nlen, int nseq, char **seq, char *mark ) +{ + int i, j, k; + + char *strong[] = { + "STA", + "NEQK", + "NHQK", + "NDEQ", + "QHRK", + "MILV", + "MILF", + "HY", + "FYW", + }; + int nstrong = 9; + char *weaker[] = { + "CSA", + "ATV", + "SAG", + "STNK", + "STPA", + "SGND", + "SNDEQK", + "NDEQHK", + "NEQHRK", + "FVLIM", + "HFY", + }; + int nweaker = 11; + + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'c': + comment = *++argv; + fprintf( stderr, "comment = %s\n", comment ); + --argc; + goto nextoption; + case 'r': + orderfile = *++argv; + fprintf( stderr, "orderfile = %s\n", orderfile ); + --argc; + goto nextoption; + case 'n': + namelen = atoi( *++argv ); + fprintf( stderr, "namelen = %d\n", namelen ); + --argc; + goto nextoption; + case 'f': + format = 'f'; + break; + case 'y': + format = 'y'; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + + +int main( int argc, char *argv[] ) +{ + static int *nlen; + static char **name, **seq, *mark; + static int *order; + int i; + FILE *infp; + FILE *orderfp; + char gett[B]; + int nlenmin; + + arguments( argc, argv ); + + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + getnumlen_casepreserve( infp, &nlenmin ); + rewind( infp ); + + seq = AllocateCharMtx( njob, nlenmax*2+1 ); + mark = AllocateCharVec( nlenmax*2+1 ); + order = AllocateIntVec( njob ); + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + + + if( orderfile ) + { + orderfp = fopen( orderfile, "r" ); + if( !orderfile ) + { + fprintf( stderr, "Cannot open %s\n", orderfile ); + exit( 1 ); + } + for( i=0; i= n) break; + k = n2; + while (k <= j) { j -= k; k /= 2; } + j += k; + } +} +/* +*/ +int fft(int n, Fukusosuu *x, int freeflag) +{ + static TLS int last_n = 0; /* {\tt n} */ + static TLS int *bitrev = NULL; /* */ + static TLS float *sintbl = NULL; /* */ + int i, j, k, ik, h, d, k2, n4, inverse; + float t, s, c, dR, dI; + + if (freeflag) + { + if (bitrev) free(bitrev); + if (sintbl) free(sintbl); + return( 0 ); + } + + /* */ + if (n < 0) { + n = -n; inverse = 1; /* */ + } else inverse = 0; + n4 = n / 4; + if (n != last_n || n == 0) { + last_n = n; +#if 0 + if (sintbl != NULL) { + free(sintbl); + sintbl = NULL; + } + if (bitrev != NULL) { + free(bitrev); + bitrev = NULL; + } + if (n == 0) return 0; /* */ + sintbl = (float *)malloc((n + n4) * sizeof(float)); + bitrev = (int *)malloc(n * sizeof(int)); +#else /* by T. Nishiyama */ + sintbl = realloc(sintbl, (n + n4) * sizeof(float)); + bitrev = realloc(bitrev, n * sizeof(int)); +#endif + if (sintbl == NULL || bitrev == NULL) { + fprintf(stderr, "\n"); return 1; + } + make_sintbl(n, sintbl); + make_bitrev(n, bitrev); + } + for (i = 0; i < n; i++) { /* */ + j = bitrev[i]; + if (i < j) { + t = x[i].R; x[i].R = x[j].R; x[j].R = t; + t = x[i].I; x[i].I = x[j].I; x[j].I = t; + } + } + for (k = 1; k < n; k = k2) { /* */ +#if 0 + fprintf( stderr, "%d / %d\n", k, n ); +#endif + h = 0; k2 = k + k; d = n / k2; + for (j = 0; j < k; j++) { +#if 0 + if( j % 1 == 0 ) + fprintf( stderr, "%d / %d\r", j, k ); +#endif + c = sintbl[h + n4]; + if (inverse) s = - sintbl[h]; + else s = sintbl[h]; + for (i = j; i < n; i += k2) { +#if 0 + if( k>=4194000 ) fprintf( stderr, "in loop %d - %d < %d, k2=%d\r", j, i, n, k2 ); +#endif + ik = i + k; + dR = s * x[ik].I + c * x[ik].R; + dI = c * x[ik].I - s * x[ik].R; + x[ik].R = x[i].R - dR; x[i].R += dR; + x[ik].I = x[i].I - dI; x[i].I += dI; + } + h += d; + } + } + if (! inverse) /* n */ + for (i = 0; i < n; i++) { x[i].R /= n; x[i].I /= n; } + return 0; /* */ +} diff --git a/binaries/src/mafft/core/fft.h b/binaries/src/mafft/core/fft.h new file mode 100644 index 0000000..64ff196 --- /dev/null +++ b/binaries/src/mafft/core/fft.h @@ -0,0 +1,15 @@ +#include +#include +#include +#include +#include "mtxutl.h" + +#define PI 3.14159265358979323846 +#define END_OF_VEC -1 + +#define NKOUHO 20 +#define NKOUHO_LONG 500 + +#define MAX(X,Y) ( ((X)>(Y))?(X):(Y) ) +#define MIN(X,Y) ( ((X)<(Y))?(X):(Y) ) + diff --git a/binaries/src/mafft/core/fftFunctions.c b/binaries/src/mafft/core/fftFunctions.c new file mode 100644 index 0000000..927dc3f --- /dev/null +++ b/binaries/src/mafft/core/fftFunctions.c @@ -0,0 +1,760 @@ +#include "mltaln.h" + +#define SEGMENTSIZE 150 +#define TMPTMPTMP 0 + +#define DEBUG 0 + +void keika( char *str, int current, int all ) +{ + if( current == 0 ) + fprintf( stderr, "%s : ", str ); + + fprintf( stderr, "\b\b\b\b\b\b\b\b" ); + fprintf( stderr, "%3d /%3d", current+1, all+1 ); + + if( current+1 == all ) + fprintf( stderr, "\b\b\b\b\b\b\b\bdone. \n" ); +} + +double maxItch( double *soukan, int size ) +{ + int i; + double value = 0.0; + double cand; + for( i=0; i value ) value = cand; + return( value ); +} + +void calcNaiseki( Fukusosuu *value, Fukusosuu *x, Fukusosuu *y ) +{ + value->R = x->R * y->R + x->I * y->I; + value->I = -x->R * y->I + x->I * y->R; +} + +Fukusosuu *AllocateFukusosuuVec( int l1 ) +{ + Fukusosuu *value; + value = (Fukusosuu *)calloc( l1, sizeof( Fukusosuu ) ); + if( !value ) + { + fprintf( stderr, "Cannot allocate %d FukusosuuVec\n", l1 ); + return( NULL ); + } + return( value ); +} + +Fukusosuu **AllocateFukusosuuMtx( int l1, int l2 ) +{ + Fukusosuu **value; + int j; +// fprintf( stderr, "allocating %d x %d FukusosuuMtx\n", l1, l2 ); + value = (Fukusosuu **)calloc( l1+1, sizeof( Fukusosuu * ) ); + if( !value ) + { + fprintf( stderr, "Cannot allocate %d x %d FukusosuuVecMtx\n", l1, l2 ); + exit( 1 ); + } + for( j=0; j max ) + { + ikouho = i; + max = tmp; + } + } +#if 0 + if( max < 0.15 ) + { + break; + } +#endif +#if 0 + fprintf( stderr, "Kouho No.%d, pos=%d, score=%f, lag=%d\n", j, ikouho, soukan[ikouho], ikouho-nlen4 ); +#endif + soukan[ikouho] = -9999.9; + kouho[j] = ( ikouho - nlen4 ); + } + return( j ); +} + +void zurasu2( int lag, int clus1, int clus2, + char **seq1, char **seq2, + char **aseq1, char **aseq2 ) +{ + int i; +#if 0 + fprintf( stderr, "### lag = %d\n", lag ); +#endif + if( lag > 0 ) + { + for( i=0; i 0 ) + { + for( i=0; i=0; j-- ) + { + if( prf1[j] ) + { + hat1[pre1] = j; + pre1 = j; + } + if( prf2[j] ) + { + hat2[pre2] = j; + pre2 = j; + } + } + hat1[pre1] = -1; + hat2[pre2] = -1; + + /* make site score */ + stra[i] = 0.0; + for( k=hat1[26]; k!=-1; k=hat1[k] ) + for( j=hat2[26]; j!=-1; j=hat2[j] ) +// stra[i] += n_dis[k][j] * prf1[k] * prf2[j]; + stra[i] += n_disFFT[k][j] * prf1[k] * prf2[j]; + stra[i] /= totaleff; + } + + (seg+0)->skipForeward = 0; + (seg+1)->skipBackward = 0; + status = 0; + cumscore = 0.0; + score = 0.0; + for( j=0; j threshold ) + { +#if 0 + seg->start = i; + seg->end = i; + seg->center = ( seg->start + seg->end + fftWinSize ) / 2 ; + seg->score = score; + status = 0; + value++; +#else + if( !status ) + { + status = 1; + starttmp = i; + length = 0; + cumscore = 0.0; + } + length++; + cumscore += score; +#endif + } + if( score <= threshold || length > SEGMENTSIZE ) + { + if( status ) + { + if( length > fftWinSize ) + { + seg->start = starttmp; + seg->end = i; + seg->center = ( seg->start + seg->end + fftWinSize ) / 2 ; + seg->score = cumscore; +#if 0 + fprintf( stderr, "%d-%d length = %d, score = %f, value = %d\n", seg->start, seg->end, length, cumscore, value ); +#endif + if( length > SEGMENTSIZE ) + { + (seg+0)->skipForeward = 1; + (seg+1)->skipBackward = 1; + } + else + { + (seg+0)->skipForeward = 0; + (seg+1)->skipBackward = 0; + } + value++; + seg++; + } + length = 0; + cumscore = 0.0; + status = 0; + starttmp = i; + if( value > MAXSEG - 3 ) ErrorExit( "TOO MANY SEGMENTS!"); + } + } + } + if( status && length > fftWinSize ) + { + seg->end = i; + seg->start = starttmp; + seg->center = ( starttmp + i + fftWinSize ) / 2 ; + seg->score = cumscore; +#if 0 +fprintf( stderr, "%d-%d length = %d\n", seg->start, seg->end, length ); +#endif + value++; + } +#if TMPTMPTMP + exit( 0 ); +#endif +// fprintf( stderr, "returning %d\n", value ); + return( value ); +} + + +static int permit( Segment *seg1, Segment *seg2 ) +{ + return( 0 ); + if( seg1->end >= seg2->start ) return( 0 ); + if( seg1->pair->end >= seg2->pair->start ) return( 0 ); + else return( 1 ); +} + +void blockAlign2( int *cut1, int *cut2, Segment **seg1, Segment **seg2, double **ocrossscore, int *ncut ) +{ + int i, j, k, shift, cur1, cur2, count, klim; + static TLS int crossscoresize = 0; + static TLS int *result1 = NULL; + static TLS int *result2 = NULL; + static TLS int *ocut1 = NULL; + static TLS int *ocut2 = NULL; + double maximum; + static TLS double **crossscore = NULL; + static TLS int **track = NULL; + static TLS double maxj, maxi; + static TLS int pointj, pointi; + + if( cut1 == NULL) + { + if( result1 ) + { + free( result1 ); + free( result2 ); + free( ocut1 ); + free( ocut2 ); + FreeIntMtx( track ); + FreeDoubleMtx( crossscore ); + } + return; + } + + if( result1 == NULL ) + { + result1 = AllocateIntVec( MAXSEG ); + result2 = AllocateIntVec( MAXSEG ); + ocut1 = AllocateIntVec( MAXSEG ); + ocut2 = AllocateIntVec( MAXSEG ); + } + + if( crossscoresize < *ncut+2 ) + { + crossscoresize = *ncut+2; + if( fftkeika ) fprintf( stderr, "allocating crossscore and track, size = %d\n", crossscoresize ); + if( track ) FreeIntMtx( track ); + if( crossscore ) FreeDoubleMtx( crossscore ); + track = AllocateIntMtx( crossscoresize, crossscoresize ); + crossscore = AllocateDoubleMtx( crossscoresize, crossscoresize ); + } + +#if 0 + for( i=0; i<*ncut-2; i++ ) + fprintf( stderr, "%d.start = %d, score = %f\n", i, seg1[i]->start, seg1[i]->score ); + + for( i=0; i<*ncut; i++ ) + fprintf( stderr, "i=%d, cut1 = %d, cut2 = %d\n", i, cut1[i], cut2[i] ); + for( i=0; i<*ncut; i++ ) + { + for( j=0; j<*ncut; j++ ) + fprintf( stderr, "%#4.0f ", ocrossscore[i][j] ); + fprintf( stderr, "\n" ); + } +#endif + + for( i=0; i<*ncut; i++ ) for( j=0; j<*ncut; j++ ) /* mudadanaa */ + crossscore[i][j] = ocrossscore[i][j]; + for( i=0; i<*ncut; i++ ) + { + ocut1[i] = cut1[i]; + ocut2[i] = cut2[i]; + } + + for( i=1; i<*ncut; i++ ) + { +#if 0 + fprintf( stderr, "### i=%d/%d\n", i,*ncut ); +#endif + for( j=1; j<*ncut; j++ ) + { + pointi = 0; maxi = 0.0; + klim = j-2; + for( k=0; k maxj ) + { + pointi = k; + maxi = crossscore[i-1][k]; + } + } + + pointj = 0; maxj = 0.0; + klim = i-2; + for( k=0; k maxj ) + { + pointj = k; + maxj = crossscore[k][j-1]; + } + } + + maxi += penalty; + maxj += penalty; + + maximum = crossscore[i-1][j-1]; + track[i][j] = 0; + + if( maximum < maxi ) + { + maximum = maxi ; + track[i][j] = j - pointi; + } + + if( maximum < maxj ) + { + maximum = maxj ; + track[i][j] = pointj - i; + } + + crossscore[i][j] += maximum; + } + } +#if 0 + for( i=0; i<*ncut; i++ ) + { + for( j=0; j<*ncut; j++ ) + fprintf( stderr, "%3d ", track[i][j] ); + fprintf( stderr, "\n" ); + } +#endif + + + result1[MAXSEG-1] = *ncut-1; + result2[MAXSEG-1] = *ncut-1; + + for( i=MAXSEG-1; i>=1; i-- ) + { + cur1 = result1[i]; + cur2 = result2[i]; + if( cur1 == 0 || cur2 == 0 ) break; + shift = track[cur1][cur2]; + if( shift == 0 ) + { + result1[i-1] = cur1 - 1; + result2[i-1] = cur2 - 1; + continue; + } + else if( shift > 0 ) + { + result1[i-1] = cur1 - 1; + result2[i-1] = cur2 - shift; + } + else if( shift < 0 ) + { + result1[i-1] = cur1 + shift; + result2[i-1] = cur2 - 1; + } + } + + count = 0; + for( j=i; j ocrossscore[result1[j-1]][result2[j-1]] ) + count--; + + cut1[count] = ocut1[result1[j]]; + cut2[count] = ocut2[result2[j]]; + + count++; + } + + *ncut = count; +#if 0 + for( i=0; i<*ncut; i++ ) + fprintf( stderr, "i=%d, cut1 = %d, cut2 = %d\n", i, cut1[i], cut2[i] ); +#endif +} + +void blockAlign3( int *cut1, int *cut2, Segment **seg1, Segment **seg2, double **ocrossscore, int *ncut ) +// memory complexity = O(n^3), time complexity = O(n^2) +{ + int i, j, shift, cur1, cur2, count; + static TLS int crossscoresize = 0; + static TLS int jumpposi, *jumppos; + static TLS double jumpscorei, *jumpscore; + static TLS int *result1 = NULL; + static TLS int *result2 = NULL; + static TLS int *ocut1 = NULL; + static TLS int *ocut2 = NULL; + double maximum; + static TLS double **crossscore = NULL; + static TLS int **track = NULL; + + if( result1 == NULL ) + { + result1 = AllocateIntVec( MAXSEG ); + result2 = AllocateIntVec( MAXSEG ); + ocut1 = AllocateIntVec( MAXSEG ); + ocut2 = AllocateIntVec( MAXSEG ); + } + if( crossscoresize < *ncut+2 ) + { + crossscoresize = *ncut+2; + if( fftkeika ) fprintf( stderr, "allocating crossscore and track, size = %d\n", crossscoresize ); + if( track ) FreeIntMtx( track ); + if( crossscore ) FreeDoubleMtx( crossscore ); + if( jumppos ) FreeIntVec( jumppos ); + if( jumpscore ) FreeDoubleVec( jumpscore ); + track = AllocateIntMtx( crossscoresize, crossscoresize ); + crossscore = AllocateDoubleMtx( crossscoresize, crossscoresize ); + jumppos = AllocateIntVec( crossscoresize ); + jumpscore = AllocateDoubleVec( crossscoresize ); + } + +#if 0 + for( i=0; i<*ncut-2; i++ ) + fprintf( stderr, "%d.start = %d, score = %f\n", i, seg1[i]->start, seg1[i]->score ); + + for( i=0; i<*ncut; i++ ) + fprintf( stderr, "i=%d, cut1 = %d, cut2 = %d\n", i, cut1[i], cut2[i] ); + for( i=0; i<*ncut; i++ ) + { + for( j=0; j<*ncut; j++ ) + fprintf( stderr, "%#4.0f ", ocrossscore[i][j] ); + fprintf( stderr, "\n" ); + } +#endif + + for( i=0; i<*ncut; i++ ) for( j=0; j<*ncut; j++ ) /* mudadanaa */ + crossscore[i][j] = ocrossscore[i][j]; + for( i=0; i<*ncut; i++ ) + { + ocut1[i] = cut1[i]; + ocut2[i] = cut2[i]; + } + for( j=0; j<*ncut; j++ ) + { + jumpscore[j] = -999.999; + jumppos[j] = -1; + } + + for( i=1; i<*ncut; i++ ) + { + + jumpscorei = -999.999; + jumpposi = -1; + + for( j=1; j<*ncut; j++ ) + { +#if 1 + fprintf( stderr, "in blockalign3, ### i=%d, j=%d\n", i, j ); +#endif + + +#if 0 + for( k=0; k maxj ) + { + pointi = k; + maxi = crossscore[i-1][k]; + } + } + + pointj = 0; maxj = 0.0; + for( k=0; k maxj ) + { + pointj = k; + maxj = crossscore[k][j-1]; + } + } + + + maxi += penalty; + maxj += penalty; +#endif + maximum = crossscore[i-1][j-1]; + track[i][j] = 0; + + if( maximum < jumpscorei && permit( seg1[jumpposi], seg1[i] ) ) + { + maximum = jumpscorei; + track[i][j] = j - jumpposi; + } + + if( maximum < jumpscore[j] && permit( seg2[jumppos[j]], seg2[j] ) ) + { + maximum = jumpscore[j]; + track[i][j] = jumpscore[j] - i; + } + + crossscore[i][j] += maximum; + + if( jumpscorei < crossscore[i-1][j] ) + { + jumpscorei = crossscore[i-1][j]; + jumpposi = j; + } + + if( jumpscore[j] < crossscore[i][j-1] ) + { + jumpscore[j] = crossscore[i][j-1]; + jumppos[j] = i; + } + } + } +#if 0 + for( i=0; i<*ncut; i++ ) + { + for( j=0; j<*ncut; j++ ) + fprintf( stderr, "%3d ", track[i][j] ); + fprintf( stderr, "\n" ); + } +#endif + + + result1[MAXSEG-1] = *ncut-1; + result2[MAXSEG-1] = *ncut-1; + + for( i=MAXSEG-1; i>=1; i-- ) + { + cur1 = result1[i]; + cur2 = result2[i]; + if( cur1 == 0 || cur2 == 0 ) break; + shift = track[cur1][cur2]; + if( shift == 0 ) + { + result1[i-1] = cur1 - 1; + result2[i-1] = cur2 - 1; + continue; + } + else if( shift > 0 ) + { + result1[i-1] = cur1 - 1; + result2[i-1] = cur2 - shift; + } + else if( shift < 0 ) + { + result1[i-1] = cur1 + shift; + result2[i-1] = cur2 - 1; + } + } + + count = 0; + for( j=i; j ocrossscore[result1[j-1]][result2[j-1]] ) + count--; + + cut1[count] = ocut1[result1[j]]; + cut2[count] = ocut2[result2[j]]; + + count++; + } + + *ncut = count; +#if 0 + for( i=0; i<*ncut; i++ ) + fprintf( stderr, "i=%d, cut1 = %d, cut2 = %d\n", i, cut1[i], cut2[i] ); +#endif +} + diff --git a/binaries/src/mafft/core/functions.h b/binaries/src/mafft/core/functions.h new file mode 100644 index 0000000..44d8688 --- /dev/null +++ b/binaries/src/mafft/core/functions.h @@ -0,0 +1,319 @@ +extern int intlen( int *num ); +extern char seqcheck( char **seq ); +extern void scmx_calc( int icyc, char **aseq, double *effarr, float **scmx ); +extern void exitall( char arr[] ); +extern void display( char **seq, int nseq ); +extern void intergroup_score( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len, double *value ); +extern void intergroup_score_gapnomi( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len, double *value ); +extern void intergroup_score_new( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len, double *value ); +extern double score_calc5( char **seq, int s, double **eff, int ex ); +extern double score_calc4( char **seq, int s, double **eff, int ex ); +extern void upg2( int nseq, double **eff, int ***topol, double **len ); +//extern void veryfastsupg_float_realloc_nobk_halfmtx( int njob, float **mtx, int ***topol, float **len ); +//extern void veryfastsupg_float_realloc_nobk( int njob, float **mtx, int ***topol, float **len ); +extern void veryfastsupg_int_realloc_nobk( int njob, int **mtx, int ***topol, double **len ); +extern void veryfastsupg( int nseq, double **oeff, int ***topol, double **len ); +extern void veryfastsupg_double( int nseq, double **oeff, int ***topol, double **len ); +extern void veryfastsupg_double_loadtree( int nseq, double **oeff, int ***topol, double **len ); +extern void veryfastsupg_double_loadtop( int nseq, double **oeff, int ***topol, double **len ); +extern void veryfastsupg_int( int nseq, int **oeff, int ***topol, double **len ); +extern void fastsupg( int nseq, double **oeff, int ***topol, double **len ); +extern void supg( int nseq, double **oeff, int ***topol, double **len ); +extern void spg( int nseq, double **oeff, int ***topol, double **len ); +extern double ipower( double x, int n ); +extern void countnode( int nseq, int ***topol, double **node ); +extern void countnode_int( int nseq, int ***topol, int **node ); +extern void counteff_simple( int nseq, int ***topol, double **len, double *node ); +extern void counteff_simple_float( int nseq, int ***topol, float **len, double *node ); +extern void counteff( int nseq, int ***topol, double **len, double **node ); +extern float score_calc1( char *seq1, char *seq2 ); +extern float score_calcp( char *seq1, char *seq2, int len ); +extern float substitution_nid( char *seq1, char *seq2 ); +extern float substitution_score( char *seq1, char *seq2 ); +extern float substitution_hosei( char *seq1, char *seq2 ); +extern float substitution( char *seq1, char *seq2 ); +extern void treeconstruction( char **seq, int nseq, int ***topol, double **len, double **eff ); +extern float bscore_calc( char **seq, int s, double **eff ); +extern void AllocateTmpSeqs( char ***mseq2pt, char **mseq1pt, int locnlenmax ); +extern void FreeTmpSeqs( char **mseq2, char *mseq1 ); +extern void gappick_samestring( char *aseq ); +extern void gappick0( char *aseq, char *seq ); +extern void gappick( int nseq, int s, char **aseq, char **mseq2, + double **eff, double *effarr ); +extern void commongappick_record( int nseq, char **seq, int *map ); +extern void commongappick( int nseq, char **seq ); +extern double score_calc0( char **seq, int s, double **eff, int ex ); +extern void strins( char *str1, char *str2 ); +extern int isaligned( int nseq, char **seq ); +extern double score_calc_for_score( int nseq, char **seq ); +extern void floatncpy( float *vec1, float *vec2, int len ); +extern float score_calc_a( char **seq, int s, double **eff ); +extern float score_calc_s( char **seq, int s, double **eff ); +extern double score_calc_for_score_s( int s, char **seq ); +extern double SSPscore( int s, char **seq ); +extern double DSPscore( int s, char **seq ); +extern int searchAnchors( int nseq, char **seq, Segment *seg ); +extern char *progName( char *str ); +extern void dontcalcimportance( int nseq, double *eff, char **seq, LocalHom **localhom ); +extern void calcimportance( int nseq, double *eff, char **seq, LocalHom **localhom ); +extern void weightimportance2( int nseq, double *eff, LocalHom **localhom ); +extern void weightimportance4( int clus1, int clus2, double *eff1, double *eff2, LocalHom ***localhom ); +extern void extendlocalhom( int nseq, LocalHom **localhom ); +extern void extendlocalhom2( int nseq, LocalHom **localhom, double **mtx ); +extern int makelocal( char *s1, char *s2, int thr ); +extern void mdfymtx( char **pair, int s1, double **partialmtx, double **mtx ); +extern float score_calc( char **seq, int s ); +extern void cpmx_calc( char **seq, float **cpmx, double *eff, int lgth, int clus ); +extern void cpmx_calc_new( char **seq, float **cpmx, double *eff, int lgth, int clus ); +extern void MScpmx_calc_new( char **seq, float **cpmx, double *eff, int lgth, int clus ); +extern void mseqcat( char **seq1, char **seq2, double **eff, double *effarr1, double *effarr2, char name1[M][B], char name2[M][B], int clus1, int clus2 ); +extern void strnbcat( char *s1, char *s2, int m ); +extern int conjuctionforgaln( int s0, int s1, char **seq, char **aseq, double *peff, double *eff, char **name, char **aname, char *d ); +extern int fastconjuction( int *memlist, char **seq, char **aseq, double *peff, double *eff, char name[M][B], char aname[M][B], char *d ); +extern int fastconjuction_noname_kozo( int *memlist, char **seq, char **aseq, double *peff, double *eff, double *peff_kozo, double *eff_kozo, char *d ); +extern int fastconjuction_noname( int *memlist, char **seq, char **aseq, double *peff, double *eff, char *d ); +extern int fastconjuction_noweight( int *memlist, char **seq, char **aseq, double *peff, char *d ); +extern int conjuctionfortbfast( char **pair, int s, char **seq, char **aseq, double *peff, double *eff, char *d ); +extern int conjuctionfortbfast_kozo( double *tmptmp, char **pair, int s, char **seq, char **aseq, double *peff, double *eff, double *peff_kozo, double *eff_kozo, char *d ); +extern int conjuction( char **pair, int s, char **seq, char **aseq, double *peff, double *eff, char **name, char **aname, char *d ); +extern void floatdelete( float **cpmx, int d, int len ); +extern void chardelete( char *seq, int d ); +extern int RootBranchNode( int nseq, int ***topol, int step, int branch ); +extern void BranchLeafNode( int nseq, int ***topol, int *node, int step, int branch ); +extern void RootLeafNode( int nseq, int ***topol, int *node ); +extern void nodeFromABranch( int nseq, int *result, int **pairwisenode, int ***topol, double **len, int step, int num ); +extern void OneClusterAndTheOther( int locnjob, char **pair, int *s1, int *s2, int ***topol, int step, int branch ); +extern void makeEffMtx( int nseq, double **mtx, double *vec ); +extern void node_eff( int nseq, double *eff, int *node ); +extern int shrinklocalhom( char **pair, int s1, int s2, LocalHom **localhom, LocalHom ***localhomshrink ); +extern int msshrinklocalhom( char **pair, int s1, int s2, LocalHom **localhom, LocalHom ***localhomshrink ); +extern int fastshrinklocalhom( int *mem1, int *mem2, LocalHom **localhom, LocalHom ***localhomshrink ); +extern int msfastshrinklocalhom( int *mem1, int *mem2, LocalHom **localhom, LocalHom ***localhomshrink ); +extern int TreeDependentIteration( int locnjob, char **name, int nlen[M], char **aseq, char **bseq, int ***topol, double **len, int alloclen, LocalHom **localhomtable, RNApair ***single, int nkozo, char *kozoarivec ); +extern void checkMinusLength( int nseq, double **len ); +extern void negativeMember2( int *mem, int *query, int locnseq ); +extern int *negativeMember( int *query, int locnseq ); +extern int IntExistsInVec( int query, int *vector ); +extern NodeInCub searchParent( int top, int ***topol, int Start, int End ); +extern void stopolInit( int n, Node *stopol ); +extern void treeCnv( Node *stopol, int locnseq, int ***topol, double **len, double **bw ); +extern int isLeaf( Node node ); +extern double syntheticLength( Node *ob, Node *oppositeNode ); +extern double calcW( Node *ob, Node *op ); +extern void calcBranchWeight( double **bw, int locnseq, Node *stopol, int ***topol, double **len ); +extern void branchWeightToPairWeight( int locnseq, int ***topol, double **pw, double **bw ); +extern void weightFromABranch_rec( double *result, Node *ob, Node *op ); +extern void weightFromABranch( int nseq, double *result, Node *stopol, int ***topol, int step, int LorR ); +extern void keika( char *str, int current, int all ); +extern double maxItch( double *soukan, int size ); +extern void calcNaiseki( Fukusosuu *value, Fukusosuu *x, Fukusosuu *y ); +extern Fukusosuu *AllocateFukusosuuVec( int l1 ); +extern Fukusosuu **AllocateFukusosuuMtx( int l1, int l2 ); +extern Fukusosuu ***AllocateFukusosuuCub( int l1, int l2, int l3 ); +extern void FreeFukusosuuVec( Fukusosuu *vec ); +extern void FreeFukusosuuMtx( Fukusosuu **mtx ); +extern int getKouho( int *kouho, int nkouho, double *soukan, int nlen2 ); +extern void zurasu2( int lag, int clus1, int clus2, char **seq1, char **seq2, char **aseq1, char **aseq2 ); +extern void zurasu( int lag, int clus1, int clus2, char **seq1, char **seq2, char **aseq1, char **aseq2 ); +extern int alignableReagion( int clus1, int clus2, char **seq1, char **seq2, double *eff1, double *eff2, Segment *seg ); +extern void blockAlign( int *cut1, int *cut2, double **ocrossscore, int *ncut ); +extern void blockAlign2( int *cut1, int *cut2, Segment **seg1, Segment **seg2, double **ocrossscore, int *ncut ); +extern void blockAlign3( int *cut1, int *cut2, Segment **seg1, Segment **seg2, double **ocrossscore, int *ncut ); +extern float A__align11( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch ); +extern float imp_match_out_scH( int i1, int j1 ); +extern void imp_match_init_strictH( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, LocalHom ***localhom, int forscore ); +extern float imp_match_out_scQ( int i1, int j1 ); +extern float imp_match_out_scR( int i1, int j1 ); +extern void imp_match_init_strictQ( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, LocalHom ***localhom, int forscore ); +extern void imp_match_init_strictR( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, LocalHom ***localhom, int forscore ); +extern void imp_match_init( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, LocalHom ***localhom ); +extern float MSalignmm( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, char *, char *, char *, char *, int *, int, int *, int headgp, int tailgp ); +extern float Lalignmm_hmout( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, char *, char *, char *, char *, float **map ); +extern float Lalign2m2m_hmout( char **seq1, char **seq2, char **seq1r, char **seq2r, char *dir1, char *dir2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, char *, char *, char *, char *, float **map ); +extern float MSalign11( char **seq1, char **seq2, int alloclen ); +//extern float rnalocal( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, RNApair **pair ); +extern float A__align( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, char *gs1, char *gs2, char *ge1, char *ge2, int *, int, int *, int headgp, int tailgp ); +extern float H__align( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, char *gs1, char *gs2, char *ge1, char *ge2 ); +extern float Q__align( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, char *gs1, char *gs2, char *ge1, char *ge2 ); +extern float Q__align_gapmap( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, char *gs1, char *gs2, char *ge1, char *ge2, int *gapmap1, int *gapmap2 ); +extern float R__align( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, char *gs1, char *gs2, char *ge1, char *ge2 ); +extern float R__align( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, char *gs1, char *gs2, char *ge1, char *ge2 ); +extern float A__align_gapmap( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, int *gapmap1, int *gapmap2 ); +extern float D__align_gapmap( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, int *gapmap1, int *gapmap2 ); +extern float translate_and_Calign( char **mseq1, char **mseq2, double *effarr1, double *effarr2, int clus1, int clus2, int alloclen ); +extern double Fgetlag( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int alloclen ); +extern float Falign( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int alloclen, int *fftlog, int *, int, int * ); +extern float Falign_udpari_long( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int alloclen, int *fftlog ); +float Falign_localhom( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int alloclen, LocalHom ***localhom, float *totalimpmatch, int *gapmap1, int *gapmap2, int *chudanpt, int chudanref, int *chudanres ); +extern float part_imp_match_out_sc( int i1, int j1 ); +extern float part_imp_match_out_scQ( int i1, int j1 ); +extern void part_imp_match_init_strict( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, double *eff1_kozo, double *eff2_kozo, LocalHom ***localhom, int forscore ); +extern void part_imp_match_init_strictQ( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, LocalHom ***localhom, int forscore ); +extern void part_imp_match_init( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, LocalHom ***localhom ); +extern float partA__align( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, int start1, int end1, int start2, int end2, int *gapmap1, int *gapmap2, char *, char *, char *, char *, int *, int, int * ); +extern float partQ__align( char **seq1, char **seq2, double *eff1, double *eff2, int icyc, int jcyc, int alloclen, LocalHom ***localhom, float *impmatch, int start1, int end1, int start2, int end2, int *gapmap1, int *gapmap2, char *, char *, char *, char *); +extern float G__align11( char **seq1, char **seq2, int alloclen, int headgp, int tailgp ); +extern float G__align11_noalign( int mtx[0x80][0x80], int penal, int penal_ex, char **seq1, char **seq2, int alloclen ); +extern float L__align11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt ); +extern float genL__align11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt ); +extern float genG__align11( char **seq1, char **seq2, int alloclen ); +extern float VAalign11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt, LocalHom *lhmpt ); +extern float suboptalign11( char **seq1, char **seq2, int alloclen, int *off1pt, int *off2pt, LocalHom *lhmpt ) +; +extern int fft(int n, Fukusosuu *x, int dum); +extern void topolcpy( int s1[], int s2[], int *mpt1, int *mpt2 ); +extern void topolcat( int s1[], int s2[], int *mpt1, int *mpt2 ); +extern void topolsort( int m, int s[] ); +extern void topolswap( int s1[], int s2[], int *mpt1, int *mpt2 ); +extern void reduc( double **mtx, int nseq, int im, int jm ); +extern void nj( int nseq, double **omtx, int ***topol, double **dis ); +extern void JTTmtx( double **rsr, double *freq, char locamino[26], char locgrp[26], int isTM ); +extern void BLOSUMmtx( int n, double **matrix, double *freq, char *amino, char *amino_grp ); +extern void putlocalhom2( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ); +extern void putlocalhom_str( char *al1, char *al2, double *equiv, double scale, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ); +extern void putlocalhom_ext( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ); +extern void putlocalhom3( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ); +extern void putlocalhom( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ); +extern char *cutal( char *al, int al_display_start, int start, int end ); +extern void ErrorExit( char *message ); +extern void strncpy_caseC( char *str1, char *str2, int len ); +extern void seqUpper( int nseq, char **seq ); +extern void seqLower( int nseq, char **seq ); +extern int getaline_fp_eof( char *s, int l, FILE *fp ); +extern int getaline_fp_eof_new(char s[], int l, FILE *fp); +extern int myfgets(char s[], int l, FILE *fp); +extern float input_new( FILE *fp, int d ); +extern void PreRead( FILE *fp, int *locnjob, int *locnlenmax ); +extern int allSpace( char *str ); +extern void Read( char name[M][B], int nlen[M], char **seq ); +extern void FRead( FILE *fp, char name[][B], int nlen[], char **seq ); +extern void kake2hiku( char *str ); +extern void readDataforgaln( FILE *fp, char **name, int *nlen, char **seq ); +extern void readData( FILE *fp, char name[][B], int nlen[], char **seq ); +extern void readData_pointer_casepreserve( FILE *fp, char **name, int *nlen, char **seq ); +extern void readData_pointer( FILE *fp, char **name, int *nlen, char **seq ); +extern void readData_pointer2( FILE *fp, int nseq, char **name, int *nlen, char **seq ); +extern void readData_varlen( FILE *fp, char **name, int *nlen, char **seq ); +extern int countATGC( char *s, int *total ); +extern void getnumlen( FILE *fp ); +extern void getnumlen_casepreserve( FILE *fp, int *nlenmin ); +extern void getnumlen_nogap( FILE *fp, int *nlenmin ); +extern void WriteGapFill( FILE *fp, int locnjob, char name[][B], int nlen[M], char **aseq ); +extern void writeDataforgaln( FILE *fp, int locnjob, char **name, int *nlen, char **aseq ); +extern void writeData( FILE *fp, int locnjob, char name[][B], int nlen[], char **aseq ); +extern void writeData_pointer( FILE *fp, int locnjob, char **name, int *nlen, char **aseq ); +extern void readhat2_floathalf( FILE *fp, int nseq, char name[M][B], float **mtx ); +extern void readhat2_floathalf_pointer( FILE *fp, int nseq, char **name, float **mtx ); +extern void readhat2_float( FILE *fp, int nseq, char name[M][B], float **mtx ); +extern void readhat2_int( FILE *fp, int nseq, char name[M][B], int **mtx ); +extern void readhat2_pointer( FILE *fp, int nseq, char **name, double **mtx ); +extern void readhat2( FILE *fp, int nseq, char name[M][B], double **mtx ); +extern void WriteFloatHat2_pointer_halfmtx( FILE *hat2p, int locnjob, char **name, float **mtx ); +extern void WriteFloatHat2( FILE *hat2p, int locnjob, char name[M][B], float **mtx ); +extern void WriteHat2_int( FILE *hat2p, int locnjob, char name[M][B], int **mtx ); +extern void WriteHat2( FILE *hat2p, int locnjob, char name[M][B], double **mtx ); +extern void WriteHat2_pointer( FILE *hat2p, int locnjob, char **name, double **mtx ); +extern int ReadFasta_sub( FILE *fp, double *dis, int nseq, char name[M][B] ); +extern int ReadSsearch( FILE *fp, double *dis, int nseq, char name[M][B] ); +extern int ReadBlastm7( FILE *fp, double *dis, int qmem, char name[M][B], LocalHom *localhomlist ); +extern int ReadBlastm7_scoreonly( FILE *fp, double *dis, int nin ); +extern int ReadBlastm7_avscore( FILE *fp, double *dis, int nin ); +extern int ReadFasta34noalign( FILE *fp, double *dis, int qmem, char name[M][B], LocalHom *localhomlist ); +extern int ReadFasta34m10_nuc( FILE *fp, double *dis, int qmem, char name[M][B], LocalHom *localhomlist ); +extern int ReadFasta34m10( FILE *fp, double *dis, int qmem, char name[M][B], LocalHom *localhomlist ); +extern int ReadFasta34m10_scoreonly_nuc( FILE *fp, double *dis, int nin ); +extern int ReadFasta34m10_scoreonly( FILE *fp, double *dis, int nin ); +extern int ReadFasta34( FILE *fp, double *dis, int nseq, char name[M][B], LocalHom *localhomlist ); +extern int ReadFasta3( FILE *fp, double *dis, int nseq, char name[M][B] ); +extern int ReadFasta( FILE *fp, double *dis, int nseq, char name[M][B] ); +extern int ReadOpt( FILE *fp, int opt[M], int nseq, char name[M][B] ); +extern int ReadOpt2( FILE *fp, int opt[M], int nseq, char name[M][B] ); +extern int writePre( int nseq, char **name, int nlen[M], char **aseq, int force ); +extern void readOtherOptions( int *ppidptr, int *fftThresholdptr, int *fftWinSizeptr ); +extern void initSignalSM( void ); +extern void initFiles( void ); +extern void WriteForFasta( FILE *fp, int locnjob, char name[][B], int nlen[M], char **aseq ); +extern void readlocalhomtable( FILE*fp, int njob, LocalHom **localhomtable, char *kozoarivec ); +extern void readlocalhomtable2( FILE*fp, int njob, LocalHom **localhomtable, char *kozoarivec ); +extern void outlocalhom( LocalHom **localhom, int nseq ); +extern void outlocalhompt( LocalHom ***localhom, int n1, int n2 ); +extern void FreeLocalHomTable( LocalHom **localhomtable, int n ) ; +extern void constants( int nseq, char **seq ); +extern void clustalout_pointer( FILE *fp, int nseq, int maxlen, char **seq, char **name, char *mark, char *comment, int *order, int namelen ); +extern void phylipout_pointer( FILE *fp, int nseq, int maxlen, char **seq, char **name, int *order ); +extern void writeData_reorder( FILE *fp, int locnjob, char name[][B], int nlen[], char **aseq, int *order ); +extern void writeData_reorder_pointer( FILE *fp, int locnjob, char **name, int *nlen, char **aseq, int *order ); + +extern void resetlocalhom( int, LocalHom ** ); +extern int load1SeqWithoutName_new( FILE *fpp, char *cbuf ); +extern char *load1SeqWithoutName_realloc( FILE *fpp ); +extern char *load1SeqWithoutName_realloc_casepreserve( FILE *fpp ); +extern int disttbfast( char **in, int nlen[M], char name[M][B] ); +extern void searchKUorWA( FILE *fp ); +extern void gapireru( char *res, char *ori, char *gt ); +extern int seqlen( char *seq ); +extern void st_FinalGapCount( float *fgcp, int clus, char **seq, double *eff, int len ); +extern void st_OpeningGapCount( float *ogcp, int clus, char **seq, double *eff, int len ); +extern void st_OpeningGapCount( float *ogcp, int clus, char **seq, double *eff, int len ); +extern void st_FinalGapCount_zure( float *fgcp, int clus, char **seq, double *eff, int len ); +extern void getdiaminofreq_x( float *freq, int clus, char **seq, double *eff, int len ); +extern void new_FinalGapCount_zure( float *fgcp, int clus, char **seq, double *eff, int len, char *s, char *e ); +extern void new_FinalGapCount( float *fgcp, int clus, char **seq, double *eff, int len, char *g ); +extern void new_OpeningGapCount( float *ogcp, int clus, char **seq, double *eff, int len, char *g ); +extern void new_OpeningGapCount_zure( float *ogcp, int clus, char **seq, double *eff, int len, char *s, char *e ); +extern void getGapPattern( float *fgcp, int clus, char **seq, double *eff, int len, char *g ); +extern void getgapfreq( float *freq, int clus, char **seq, double *eff, int len ); +extern void getgapfreq_zure( float *freq, int clus, char **seq, double *eff, int len ); +//extern void getgapfreq_zure_part( float *freq, int clus, char **seq, double *eff, int len, char *s ); +extern void getgapfreq_zure_part( float *freq, int clus, char **seq, double *eff, int len, char *s ); +extern void getdiaminofreq_part( float *freq, int clus, char **seq, double *eff, int len, char *s, char *e ); +extern void getdigapfreq_part( float *freq, int clus, char **seq, double *eff, int len, char *s, char *e ); +extern void getdiaminofreq_st( float *freq, int clus, char **seq, double *eff, int len ); +extern void getdigapfreq_st( float *freq, int clus, char **seq, double *eff, int len ); +extern void st_getGapPattern( Gappat **gpat, int clus, char **seq, double *eff, int len ); +extern void getkyokaigap( char *g, char **s, int pos, int n ); +extern double *loadaamtx( void ); +extern float naivepairscore( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, int penal ); +extern float naivepairscore11( char *seq1, char *seq2, int penal ); +extern float naiveQpairscore( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, int penal ); +extern float naiveRpairscore( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, int penal ); +extern float naiveHpairscore( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, int penal ); +extern void foldrna( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, RNApair ***gr1, RNApair ***gr2, float **impmtx, int *gapmap1, int *gapmap2, RNApair *pair ); +extern void foldrna_gappick( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, RNApair ***gr1, RNApair ***gr2, float **impmtx, int *gapmap1, int *gapmap2, RNApair *pair ); +extern void imp_rna( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, RNApair ***gr1, RNApair ***gr2, int *gapmap1, int *gapmap2, RNApair *pair ); +extern void imp_rnaQ( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, RNApair ***gr1, RNApair ***gr2, int *gapmap1, int *gapmap2, RNApair *pair ); +extern void part_imp_rnaQ( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, RNApair ***gr1, RNApair ***gr2, int *gapmap1, int *gapmap2, RNApair *pair ); +extern void part_imp_rna( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, RNApair ***gr1, RNApair ***gr2, int *gapmap1, int *gapmap2, RNApair *pair ); +extern void imp_rnaQ_gappick( int nseq1, int nseq2, char **seq1, char **seq2, double *eff1, double *eff2, RNApair ***gr1, RNApair ***gr2, int *gapmap1, int *gapmap2, RNApair *pair ); +extern void foldalignedrna( int clus1, int clus2, char **mseq1, char **mseq2, double *effarr1, double *effarr2, RNApair *rnapairboth ); +void readmccaskill( FILE *fp, RNApair **pairprob, int length ); +void makegrouprna( RNApair ***group, RNApair ***all, int *memlist ); +void makegrouprnait( RNApair ***group, RNApair ***all, char **pair, int s ); +extern void fixed_musclesupg_float_realloc_nobk_halfmtx( int nseq, float **eff, int ***topol, float **len, Treedep * ); +extern void loadtree( int nseq, int ***topol, float **len, char **name, int *nlen, Treedep * ); +extern void loadtop( int nseq, float **eff, int ***topol, float **len ); +extern void fixed_musclesupg_float_realloc_nobk_halfmtx_treeout( int nseq, float **eff, int ***topol, float **len, char **name, int *nlen, Treedep * ); +extern void fixed_musclesupg_double_treeout( int nseq, double **eff, int ***topol, double **len, char **name ); +extern void imp_match_init_strict( float *imp, int clus1, int clus2, int lgth1, int lgth2, char **seq1, char **seq2, double *eff1, double *eff2, double *eff1kozo, double*eff2kozo, LocalHom ***localhom, int forscore ); +extern void miyataout_reorder_pointer( FILE *fp, int locnjob, int nlenmax, char **name, int *nlen, char **aseq, int *order ); +extern void veryfastsupg_double_outtree( int nseq, double **eff, int ***topol, double **len, char **name ); +extern void cpmx_ribosum( char **seq, char **seqr, char *dir, float **cpmx, double *eff, int lgth, int clus ); +extern void rnaalifoldcall( char **seq, int nseq, RNApair **pairprob ); +extern void readpairfoldalign( FILE *fp, char *seq1, char *seq2, char *aln1, char *aln2, int q1, int q2, int *of1, int *of2, int sumlen ); +extern void write1seq( FILE *fp, char *aseq ); +extern void assignstrweight( int nseq, double *strweight, Node *stopol, int ***topol, int step, int LorR, char *kozoari, double *seqweight ); +extern void cutData( FILE *, int **, char **, int * ); +extern void cutAlignment( FILE *, int **, char **, int *, char **, char ** ); +extern void catData( FILE * ); +extern void getnumlen_nogap_outallreg_web( FILE *fp, FILE *ofp, int *nlenminpt, int *isalignedpt ); +extern void getnumlen_nogap_outallreg( FILE *fp, int *nlenminpt ); +extern double plainscore( int nseq, char **seq ); +extern void eq2dash( char *s ); +extern void findnewgaps( int n, char **seq, int *gaplen ); +extern void findcommongaps( int, char **, int * ); +extern void adjustgapmap( int, int *, char * ); +extern void insertnewgaps( int njob, int *alreadyaligned, char **seq, int *ex1, int *ex2, int *gaplen, int *gapmap, int alloclen, char alg ); +extern void restorecommongaps( int n, char **seq, int *top0, int *top1, int *gaplen, int alloclen ); +extern int samemember( int *mem, int *cand ); +extern int includemember( int *mem, int *cand ); +extern void profilealignment( int n0, int n1, int n2, char **aln0, char **aln1, char **aln2, int alloclen, char alg ); diff --git a/binaries/src/mafft/core/genGalign11.c b/binaries/src/mafft/core/genGalign11.c new file mode 100644 index 0000000..3a3edb6 --- /dev/null +++ b/binaries/src/mafft/core/genGalign11.c @@ -0,0 +1,486 @@ +#include "mltaln.h" +#include "dp.h" + +#define DEBUG 0 +#define XXXXXXX 0 +#define USE_PENALTY_EX 1 + + +#if 1 +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + char *seq2 = s2[0]; + int *intptr = amino_dis[(int)s1[0][i1]]; + + while( lgth2-- ) + *match++ = intptr[(int)*seq2++]; +} +#else +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + int j; + + for( j=0; j lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm; /* int ?????? */ + float g; + float *currentw, *previousw; + float fpenalty = (float)penalty; + float fpenalty_OP = (float)penalty_OP; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif +#if 1 + float *wtmp; + int *ijpipt; + int *ijpjpt; + float *mjpt, *Mjpt, *prept, *curpt; + int *mpjpt, *Mpjpt; +#endif + static float mi, *m; + static float Mi, *largeM; + static int **ijpi; + static int **ijpj; + static int mpi, *mp; + static int Mpi, *Mp; + static float *w1, *w2; + static float *match; + static float *initverticalw; /* kufuu sureba iranai */ + static float *lastverticalw; /* kufuu sureba iranai */ + static char **mseq1; + static char **mseq2; + static char **mseq; + static float **cpmx1; + static float **cpmx2; + static int **intwork; + static float **floatwork; + static int orlgth1 = 0, orlgth2 = 0; + float tbk; + int tbki, tbkj; + + wm = 0.0; + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + + + if( lgth1 <= 0 || lgth2 <= 0 ) + { + fprintf( stderr, "WARNING (g11): lgth1=%d, lgth2=%d\n", lgth1, lgth2 ); + } + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + FreeFloatVec( largeM ); + FreeIntVec( Mp ); + + FreeCharMtx( mseq ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + largeM = AllocateFloatVec( ll2+2 ); + Mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + FreeIntMtx( commonJP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + commonJP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijpi = commonIP; + ijpj = commonJP; + + +#if 0 + for( i=0; i", wm ); +#endif +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+fpenalty) > wm ) + { + wm = g; +// *ijpipt = i - 1; // iranai + *ijpjpt = mpi; + } + if( (g=*prept) >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt + fpenalty) > wm ) + { + wm = g; + *ijpipt = *mpjpt; + *ijpjpt = j - 1; //IRU! + } + if( (g=*prept) >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 1 + g = tbk + fpenalty_OP; + if( g > wm ) + { + wm = g; + *ijpipt = tbki; + *ijpjpt = tbkj; +// fprintf( stderr, "hit! i%d, j%d, ijpi = %d, ijpj = %d\n", i, j, *ijpipt, *ijpjpt ); + } + if( Mi > tbk ) + { + tbk = Mi; //error desu. + tbki = i-1; + tbkj = Mpi; + } + if( *Mjpt > tbk ) + { + tbk = *Mjpt; + tbki = *Mpjpt; + tbkj = j-1; + } + + if( *prept > *Mjpt ) + { + *Mjpt = *prept; + *Mpjpt = i-1; + } + if( *prept > Mi ) + { + Mi = *prept; + Mpi = j-1; + } + +#endif + + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + ijpipt++; + ijpjpt++; + mjpt++; + Mjpt++; + prept++; + mpjpt++; + Mpjpt++; + } + lastverticalw[i] = currentw[lgth2-1]; // lgth2==0 no toki error + } +#if 0 + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); +#if 0 + fprintf( stderr, "\n" ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); + fprintf( stderr, "wm = %f\n", wm ); +#endif + + return( wm ); +} + diff --git a/binaries/src/mafft/core/genalign11.c b/binaries/src/mafft/core/genalign11.c new file mode 100644 index 0000000..29cb6fd --- /dev/null +++ b/binaries/src/mafft/core/genalign11.c @@ -0,0 +1,661 @@ +#include "mltaln.h" +#include "dp.h" + +#define DEBUG 0 +#define DEBUG2 0 +#define XXXXXXX 0 +#define USE_PENALTY_EX 1 + +static TLS int localstop; + +#if 1 +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + char tmpc = s1[0][i1]; + char *seq2 = s2[0]; + + while( lgth2-- ) + *match++ = amino_dis[(int)tmpc][(int)*seq2++]; +} +#else +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + int j; + + for( j=0; j -1 ) + *fpt2 += scarr[*ipt++] * *fpt++; + fpt2++,iptpt++,fptpt++; + } + } +#else + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} +#endif + +static float gentracking( float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijpi, int **ijpj, int *off1pt, int *off2pt, int endi, int endj ) +{ + int i, j, l, iin, jin, lgth1, lgth2, k, limk; + int ifi=0, jfi=0; // by D.Mathog +// char gap[] = "-"; + char *gap; + gap = newgapstr; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if 0 + for( i=0; i 0 && orlgth2 > 0 ) + { + orlgth1 = 0; + orlgth2 = 0; + free( mseq1 ); + free( mseq2 ); + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + free( largeM ); + free( Mp ); + + FreeCharMtx( mseq ); + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + + } + return( 0.0 ); + } + + + +// fprintf( stderr, "@@@@@@@@@@@@@ penalty_OP = %f, penalty_EX = %f, pelanty = %f\n", fpenalty_OP, fpenalty_EX, fpenalty ); + + if( orlgth1 == 0 ) + { + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + FreeFloatVec( largeM ); + FreeIntVec( Mp ); + + FreeCharMtx( mseq ); + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + largeM = AllocateFloatVec( ll2+2 ); + Mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + mseq1[0] = mseq[0]; + mseq2[0] = mseq[1]; + + + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + FreeIntMtx( commonJP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + commonJP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijpi = commonIP; + ijpj = commonJP; + + +#if 0 + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijpipt = i - 1; + *ijpjpt = mpi; + } + g = *prept; + if( g > mi ) + { + mi = g; + mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f->", wm ); +#endif + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "m%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijpipt = *mpjpt; + *ijpjpt = j - 1; //IRU! + } + g = *prept; + if( g > *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + *mjpt += fpenalty_ex; +#endif + + + g = tbk + fpenalty_OP; +// g = tbk; + if( g > wm ) + { + wm = g; + *ijpipt = tbki; + *ijpjpt = tbkj; +// fprintf( stderr, "hit! i%d, j%d, ijpi = %d, ijpj = %d\n", i, j, *ijpipt, *ijpjpt ); + } +// g = Mi; + if( Mi > tbk ) + { + tbk = Mi; //error desu. + tbki = i-1; + tbkj = Mpi; + } +// g = *Mjpt; + if( *Mjpt > tbk ) + { + tbk = *Mjpt; + tbki = *Mpjpt; + tbkj = j-1; + } +// tbk += fpenalty_EX;// + foffset; + +// g = *prept; + if( *prept > *Mjpt ) + { + *Mjpt = *prept; + *Mpjpt = i-1; + } +// *Mjpt += fpenalty_EX;// + foffset; + +// g = *prept; + if( *prept > Mi ) + { + Mi = *prept; + Mpi = j-1; + } +// Mi += fpenalty_EX;// + foffset; + + +// fprintf( stderr, "wm=%f, tbk=%f(%c-%c), mi=%f, *mjpt=%f\n", wm, tbk, seq1[0][tbki], seq2[0][tbkj], mi, *mjpt ); +// fprintf( stderr, "ijp = %c,%c\n", seq1[0][abs(*ijpipt)], seq2[0][abs(*ijpjpt)] ); + + + if( maxwm < wm ) + { + maxwm = wm; + endali = i; + endalj = j; + } +#if 1 + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + *ijpipt = localstop; +// *ijpjpt = localstop; + wm = localthr2; + } +#endif +#if 0 + fprintf( stderr, "%5.0f ", *curpt ); +#endif +#if DEBUG2 + fprintf( stderr, "%5.0f ", wm ); +// fprintf( stderr, "%c-%c *ijppt = %d, localstop = %d\n", seq1[0][i], seq2[0][j], *ijppt, localstop ); +#endif + + *curpt += wm; + ijpipt++; + ijpjpt++; + mjpt++; + Mjpt++; + prept++; + mpjpt++; + Mpjpt++; + curpt++; + } +#if DEBUG2 + fprintf( stderr, "\n" ); +#endif + + lastverticalw[i] = currentw[lgth2-1]; + } + + +#if DEBUG2 + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, "endali = %d\n", endali ); + fprintf( stderr, "endalj = %d\n", endalj ); +#endif + + if( ijpi[endali][endalj] == localstop ) // && ijpj[endali][endalj] == localstop ) + { + strcpy( seq1[0], "" ); + strcpy( seq2[0], "" ); + *off1pt = *off2pt = 0; + return( 0.0 ); + } + + + gentracking( currentw, lastverticalw, seq1, seq2, mseq1, mseq2, cpmx1, cpmx2, ijpi, ijpj, off1pt, off2pt, endali, endalj ); + +// fprintf( stderr, "### impmatch = %f\n", *impmatch ); + + resultlen = strlen( mseq1[0] ); + if( alloclen < resultlen || resultlen > N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + strcpy( seq1[0], mseq1[0] ); + strcpy( seq2[0], mseq2[0] ); + +#if 0 + fprintf( stderr, "\n" ); + fprintf( stderr, ">\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); +#endif + + + return( maxwm ); +} + diff --git a/binaries/src/mafft/core/getlag.c b/binaries/src/mafft/core/getlag.c new file mode 100644 index 0000000..d37c2d8 --- /dev/null +++ b/binaries/src/mafft/core/getlag.c @@ -0,0 +1,461 @@ +#include "mltaln.h" + +#define DEBUG 0 +#define IODEBUG 0 + +void arguments( int argc, char *argv[] ) +{ + int c; + + calledByXced = 0; + devide = 0; + use_fft = 0; + fftscore = 1; + fftRepeatStop = 0; + fftNoAnchStop = 0; + weight = 3; + utree = 1; + tbutree = 1; + refine = 0; + check = 1; + cut = 0.0; + disp = 0; + outgap = 1; + alg = 'C'; + mix = 0; + tbitr = 0; + scmtd = 5; + tbweight = 0; + tbrweight = 3; + checkC = 0; + treemethod = 'x'; + contin = 0; + ppenalty = NOTSPECIFIED; + ppenalty_ex = NOTSPECIFIED; + poffset = NOTSPECIFIED; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + geta2 = GETA2; + scoremtx = NOTSPECIFIED; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'D': + scoremtx = -1; + break; + case 'P': + scoremtx = 0; + break; + case 'i': + contin = 1; + break; + case 'e': + fftscore = 0; + break; + case 'O': + fftNoAnchStop = 1; + break; + case 'R': + fftRepeatStop = 1; + break; + case 'Q': + calledByXced = 1; + break; + case 's': + treemethod = 's'; + break; + case 'x': + treemethod = 'x'; + break; + case 'p': + treemethod = 'p'; + break; + case 'a': + alg = 'a'; + break; + case 'A': + alg = 'A'; + break; + case 'S': + alg = 'S'; + break; + case 'C': + alg = 'C'; + break; + case 'F': + use_fft = 1; + break; + case 'v': + tbrweight = 3; + break; + case 'd': + disp = 1; + break; + case 'o': + outgap = 0; + break; +/* Modified 01/08/27, default: user tree */ + case 'J': + tbutree = 0; + break; +/* modification end. */ + case 'Z': + checkC = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } + readOtherOptions( &ppid, &fftThreshold, &fftWinSize ); +} + + +void treebase( char **name, int nlen[M], char **seq, char **aseq, char **mseq1, char **mseq2, double **mtx, int ***topol, double **len, double **eff, int alloclen ) +{ + int i, j, l; + int clus1, clus2; + int s1, s2, r1, r2; + float pscore; + static char *indication1, *indication2; + static char **name1, **name2; + static double **partialmtx = NULL; + static int ***partialtopol = NULL; + static double **partiallen = NULL; + static double **partialeff = NULL; + static double *effarr = NULL; + static double *effarr1 = NULL; + static double *effarr2 = NULL; +#if 0 + char pair[njob][njob]; +#else + static char **pair; +#endif + if( partialtopol == NULL ) + { + partialmtx = AllocateDoubleMtx( njob, njob ); + partialtopol = AllocateIntCub( njob, 2, njob ); + partialeff = AllocateDoubleMtx( njob, njob ); + partiallen = AllocateDoubleMtx( njob, 2 ); + effarr = AllocateDoubleVec( njob ); + effarr1 = AllocateDoubleVec( njob ); + effarr2 = AllocateDoubleVec( njob ); + indication1 = AllocateCharVec( njob*3+100 ); + indication2 = AllocateCharVec( njob*3+100 ); + name1 = AllocateCharMtx( njob, B+1 ); + name2 = AllocateCharMtx( njob, B+1 ); +#if 0 +#else + pair = AllocateCharMtx( njob, njob ); +#endif + } + + if( checkC ) + for( i=0; i-1; i++ ) + if( pair[s1][r1] != 1 ) exit( 1 ); + s2 = topol[l][1][0]; + for( i=0; (r2=topol[l][1][i])>-1; i++ ) + if( pair[s2][r2] != 1 ) exit( 1 ); + + clus1 = conjuction( pair, s1, aseq, mseq1, effarr1, effarr, name, name1, indication1 ); + clus2 = conjuction( pair, s2, aseq, mseq2, effarr2, effarr, name, name2, indication2 ); + fprintf( trap_g, "\nSTEP-%d\n", l ); + fprintf( trap_g, "group1 = %s\n", indication1 ); + fprintf( trap_g, "group2 = %s\n", indication2 ); + + fprintf( stderr, "STEP %d /%d\n", l+1, njob-1 ); + fprintf( stderr, "group1 = %.66s", indication1 ); + if( strlen( indication1 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); + fprintf( stderr, "group2 = %.66s", indication2 ); + if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); + + if( checkC ) + for( i=0; i-1; i++ ) + { + pair[s1][r2] = 1; + pair[s2][r2] = 0; + } + + writePre( njob, name, nlen, aseq, 0 ); + + if( disp ) display( aseq, njob ); + fprintf( stderr, "\n" ); + + } +} + +static void WriteOptions( FILE *fp ) +{ + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "Dayhoff( machigai ga aru )\n" ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + else if( scoremtx == -1 ) fprintf( fp, "DNA\n" ); + + if( scoremtx == 0 || scoremtx == -1 ) + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + else + fprintf( fp, "Gap Penalty = %+5.2f\n", (double)ppenalty/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Apgorithm A+\n" ); + else if( alg == 'S' ) + fprintf( fp, "Apgorithm S\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( treemethod == 'x' ) + fprintf( fp, "Tree = UPGMA (3).\n" ); + else if( treemethod == 's' ) + fprintf( fp, "Tree = UPGMA (2).\n" ); + else if( treemethod == 'p' ) + fprintf( fp, "Tree = UPGMA (1).\n" ); + else + fprintf( fp, "Unknown tree.\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( scoremtx == -1 ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int nlen[M]; + static char **name, **seq; + static char **mseq1, **mseq2; + static char **aseq; + static char **bseq; + static double **pscore; + static double **eff; + static double **node0, **node1; + int i, j; + static int ***topol; + static double **len; + FILE *prep; + char c; + int alloclen; + + arguments( argc, argv ); + getnumlen( stdin ); + rewind( stdin ); + + name = AllocateCharMtx( njob, B+1 ); + seq = AllocateCharMtx( njob, nlenmax*5+1 ); + aseq = AllocateCharMtx( njob, nlenmax*5+1 ); + bseq = AllocateCharMtx( njob, nlenmax*5+1 ); + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + alloclen = nlenmax*5; + + topol = AllocateIntCub( njob, 2, njob ); + len = AllocateDoubleMtx( njob, 2 ); + pscore = AllocateDoubleMtx( njob, njob ); + eff = AllocateDoubleMtx( njob, njob ); + node0 = AllocateDoubleMtx( njob, njob ); + node1 = AllocateDoubleMtx( njob, njob ); + +#if 0 + Read( name, nlen, seq ); +#else + readData_pointer( stdin, name, nlen, seq ); +#endif + + constants( njob, seq ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illeagal character %c\n", c ); + exit( 1 ); + } + + writePre( njob, name, nlen, seq, 0 ); + + if( tbutree == 0 ) + { + for( i=1; i 0 ) localhompt = localhompt->next; + localhompt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + localhompt = localhompt->next; +// fprintf( stderr, "tmppt = %p, localhompt = %p\n", tmppt, localhompt ); + } + tmppt = localhompt; + + st = 0; + iscore = 0; + while( *pt1 != 0 ) + { +// fprintf( stderr, "In in while loop\n" ); +// fprintf( stderr, "pt = %c, %c, st=%d\n", *pt1, *pt2, st ); + if( st == 1 && ( *pt1 == '-' || *pt2 == '-' ) ) + { + end1 = pos1 - 1; + end2 = pos2 - 1; + + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + isumscore += iscore; + sumoverlap += end2-start2+1; +#else + tmppt->overlapaa = end2-start2+1; + tmppt->opt = iscore * 5.8 / 600; + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "iscore (1)= %d\n", iscore ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + iscore = 0; + st = 0; + } + else if( *pt1 != '-' && *pt2 != '-' ) + { + if( st == 0 ) + { + start1 = pos1; start2 = pos2; + st = 1; + } + iscore += n_dis[(int)amino_n[(int)*pt1]][(int)amino_n[(int)*pt2]]; +// fprintf( stderr, "%c-%c, score(0) = %d\n", *pt1, *pt2, iscore ); + } + if( *pt1++ != '-' ) pos1++; + if( *pt2++ != '-' ) pos2++; + } + + if( st ) + { + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + end1 = pos1 - 1; + end2 = pos2 - 1; + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + isumscore += iscore; + sumoverlap += end2-start2+1; +#else + tmppt->overlapaa = end2-start2+1; + tmppt->opt = (double)iscore * 5.8 / 600; + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif +#if 0 + fprintf( stderr, "score (2)= %d\n", iscore ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + } + + for( tmppt=localhompt; tmppt; tmppt=tmppt->next ) + { + tmppt->overlapaa = sumoverlap; + tmppt->opt = (double)sumscore * 5.8 / 600 / sumoverlap; + } + return( nlocalhom ); +} + +#endif + + + +static int addlocalhom_r( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa, int skip ) +{ + int pos1, pos2, start1, start2, end1, end2; + char *pt1, *pt2; + double score; + double sumscore; + int sumoverlap; + LocalHom *tmppt = NULL; // by D.Mathog, a guess + int st; + int nlocalhom = 0; + pt1 = al1; pt2 = al2; + pos1 = off1; pos2 = off2; + + sumscore = 0.0; + sumoverlap = 0; + start1 = 0; // by D.Mathog, a guess + start2 = 0; // by D.Mathog, a guess + +#if 0 + fprintf( stderr, "nlocalhom = %d in addlocalhom\n", nlocalhom ); + fprintf( stderr, "al1 = %s, al2 = %s\n", al1, al2 ); + fprintf( stderr, "off1 = %d, off2 = %d\n", off1, off2 ); + fprintf( stderr, "localhopt = %p, skip = %d\n", localhompt, skip ); +#endif + fprintf( stderr, "pt1 = \n%s\n, pt2 = \n%s\n", pt1, pt2 ); + + if( skip ) + { + while( --skip > 0 ) localhompt = localhompt->next; + localhompt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + localhompt = localhompt->next; + fprintf( stderr, "tmppt = %p, localhompt = %p\n", (void *)tmppt, (void *)localhompt ); + } + tmppt = localhompt; + + st = 0; + score = 0.0; + while( *pt1 != 0 ) + { + fprintf( stderr, "In in while loop\n" ); + fprintf( stderr, "pt = %c, %c, st=%d\n", *pt1, *pt2, st ); + if( st == 1 && ( *pt1 == '-' || *pt2 == '-' ) ) + { + end1 = pos1 - 1; + end2 = pos2 - 1; + + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + sumscore += score; + sumoverlap += end2-start2+1; +#else + tmppt->overlapaa = end2-start2+1; + tmppt->opt = score * 5.8 / 600; + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + + fprintf( stderr, "score (1)= %f\n", score ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); + score = 0.0; + st = 0; + } + else if( *pt1 != '-' && *pt2 != '-' ) + { + if( st == 0 ) + { + start1 = pos1; start2 = pos2; + st = 1; + } + score += (double)n_dis[(int)amino_n[(int)*pt1]][(int)amino_n[(int)*pt2]]; +// fprintf( stderr, "%c-%c, score(0) = %f\n", *pt1, *pt2, score ); + } + if( *pt1++ != '-' ) pos1++; + if( *pt2++ != '-' ) pos2++; + } + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + end1 = pos1 - 1; + end2 = pos2 - 1; + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + sumscore += score; + sumoverlap += end2-start2+1; +#else + tmppt->overlapaa = end2-start2+1; + tmppt->opt = score * 5.8 / 600; + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + + fprintf( stderr, "score (2)= %f\n", score ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); + + for( tmppt=localhompt; tmppt; tmppt=tmppt->next ) + { + tmppt->overlapaa = sumoverlap; + tmppt->opt = sumscore * 5.8 / 600 / sumoverlap; + } + return( nlocalhom ); +} +void putlocalhom3( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ) +{ + int pos1, pos2, start1, start2, end1, end2; + char *pt1, *pt2; + double score; + double sumscore; + int sumoverlap; + LocalHom *tmppt; + LocalHom *subnosento; + int st; + int saisho; + + pt1 = al1; pt2 = al2; + pos1 = off1; pos2 = off2; + + sumscore = 0.0; + sumoverlap = 0; + start1 = 0; // by Mathog, a guess + start2 = 0; // by Mathog, a guess + + subnosento = localhompt; + while( subnosento->next ) subnosento = subnosento->next; + tmppt = subnosento; + + saisho = ( localhompt->nokori == 0 ); + + fprintf( stderr, "localhompt = %p\n", (void *)localhompt ); + fprintf( stderr, "tmppt = %p\n", (void *)tmppt ); + fprintf( stderr, "subnosento = %p\n", (void *)subnosento ); + + st = 0; + score = 0.0; + while( *pt1 != 0 ) + { +// fprintf( stderr, "pt = %c, %c, st=%d\n", *pt1, *pt2, st ); + if( st == 1 && ( *pt1 == '-' || *pt2 == '-' ) ) + { + end1 = pos1 - 1; + end2 = pos2 - 1; + + if( localhompt->nokori++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = score / tmppt->overlapaa * 5.8 / 600; + } + else + { + sumscore += score; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "score (1)= %f\n", score ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + score = 0.0; + st = 0; + } + else if( *pt1 != '-' && *pt2 != '-' ) + { + if( st == 0 ) + { + start1 = pos1; start2 = pos2; + st = 1; + } + score += (double)n_dis[(int)amino_n[(int)*pt1]][(int)amino_n[(int)*pt2]]; // - offset ¤Ï¤¤¤é¤Ê¤¤¤«¤â +// fprintf( stderr, "%c-%c, score(0) = %f\n", *pt1, *pt2, score ); + } + if( *pt1++ != '-' ) pos1++; + if( *pt2++ != '-' ) pos2++; + } + if( *(pt1-1) != '-' && *(pt2-1) != '-' ) + { + if( localhompt->nokori++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + + end1 = pos1 - 1; + end2 = pos2 - 1; + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = score / tmppt->overlapaa * 5.8 / 600; + } + else + { + sumscore += score; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "score (2)= %f\n", score ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + } + + fprintf( stderr, "sumscore = %f\n", sumscore ); + if( !divpairscore ) + { + + if( !saisho ) subnosento = subnosento->next; + for( tmppt=subnosento; tmppt; tmppt=tmppt->next ) + { + tmppt->overlapaa = sumoverlap; + tmppt->opt = sumscore * 5.8 / 600 / sumoverlap; + fprintf( stderr, "tmpptr->opt = %f\n", tmppt->opt ); + } + } +} +void putlocalhom_ext( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ) +{ + int pos1, pos2, start1, start2, end1, end2; + char *pt1, *pt2; + int iscore; + int isumscore; + int sumoverlap; + LocalHom *tmppt = localhompt; + int nlocalhom = 0; + int st; + pt1 = al1; pt2 = al2; + pos1 = off1; pos2 = off2; + + + isumscore = 0; + sumoverlap = 0; + start1 = 0; // by D.Mathog, a guess + start2 = 0; // by D.Mathog, a guess + + st = 0; + iscore = 0; + while( *pt1 != 0 ) + { +// fprintf( stderr, "pt = %c, %c, st=%d\n", *pt1, *pt2, st ); + if( st == 1 && ( *pt1 == '-' || *pt2 == '-' ) ) + { + end1 = pos1 - 1; + end2 = pos2 - 1; + + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = (double)iscore / tmppt->overlapaa * 5.8 / 600; + } + else + { + isumscore += iscore; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "iscore (1)= %d\n", iscore ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + iscore = 0; + st = 0; + } + else if( *pt1 != '-' && *pt2 != '-' ) + { + if( st == 0 ) + { + start1 = pos1; start2 = pos2; + st = 1; + } + iscore += n_dis[(int)amino_n[(int)*pt1]][(int)amino_n[(int)*pt2]]; // - offset ¤Ï¤¤¤é¤Ê¤¤¤«¤â +// fprintf( stderr, "%c-%c, iscore(0) = %d\n", *pt1, *pt2, iscore ); + } + if( *pt1++ != '-' ) pos1++; + if( *pt2++ != '-' ) pos2++; + } + if( *(pt1-1) != '-' && *(pt2-1) != '-' ) + { + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + end1 = pos1 - 1; + end2 = pos2 - 1; + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = (double)iscore / tmppt->overlapaa * 5.8 / 600; + } + else + { + isumscore += iscore; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "iscore (2)= %d\n", iscore ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + } + + if( !divpairscore ) + { + for( tmppt=localhompt; tmppt; tmppt=tmppt->next ) + { + tmppt->overlapaa = sumoverlap; +// tmppt->opt = (double)isumscore * 5.8 / ( 600 * sumoverlap ); + tmppt->opt = (double)600 * 5.8 / 600; +// fprintf( stderr, "tmpptr->opt = %f\n", tmppt->opt ); + } + } +} + +void putlocalhom_str( char *al1, char *al2, double *equiv, double scale, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ) +{ + int posinaln, pos1, pos2, start1, start2, end1, end2; + char *pt1, *pt2; + int isumscore; + int sumoverlap; + LocalHom *tmppt = localhompt; + int nlocalhom = 0; +// int st; + pt1 = al1; pt2 = al2; + pos1 = off1; pos2 = off2; + + isumscore = 0; + sumoverlap = 0; + start1 = 0; // by D.Mathog, a guess + start2 = 0; // by D.Mathog, a guess + + posinaln = 0; + while( *pt1 != 0 ) + { + if( *pt1 != '-' && *pt2 != '-' && equiv[posinaln] > 0.0 ) + { + start1 = end1 = pos1; start2 = end2 = pos2; + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ... (posinaln=%d)\n", posinaln ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + + tmppt->overlapaa = 1; +// tmppt->opt = (double)iscore / tmppt->overlapaa * 5.8 / 600; + tmppt->opt = equiv[posinaln] * scale; +// fprintf( stdout, "*pt1=%c, *pt2=%c, equiv=%f\n", *pt1, *pt2, equiv[posinaln] ); + + } + if( *pt1++ != '-' ) pos1++; + if( *pt2++ != '-' ) pos2++; + posinaln++; + } +} + +void putlocalhom2( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ) +{ + int pos1, pos2, start1, start2, end1, end2; + char *pt1, *pt2; + int iscore; + int isumscore; + int sumoverlap; + LocalHom *tmppt = localhompt; + int nlocalhom = 0; + int st; + pt1 = al1; pt2 = al2; + pos1 = off1; pos2 = off2; + + + isumscore = 0; + sumoverlap = 0; + start1 = 0; // by D.Mathog, a guess + start2 = 0; // by D.Mathog, a guess + + st = 0; + iscore = 0; + while( *pt1 != 0 ) + { +// fprintf( stderr, "pt = %c, %c, st=%d\n", *pt1, *pt2, st ); + if( st == 1 && ( *pt1 == '-' || *pt2 == '-' ) ) + { + end1 = pos1 - 1; + end2 = pos2 - 1; + + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = (double)iscore / tmppt->overlapaa * 5.8 / 600; + } + else + { + isumscore += iscore; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "iscore (1)= %d\n", iscore ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + iscore = 0; + st = 0; + } + else if( *pt1 != '-' && *pt2 != '-' ) + { + if( st == 0 ) + { + start1 = pos1; start2 = pos2; + st = 1; + } + iscore += n_dis[(int)amino_n[(int)*pt1]][(int)amino_n[(int)*pt2]]; // - offset ¤Ï¤¤¤é¤Ê¤¤¤«¤â +// fprintf( stderr, "%c-%c, iscore(0) = %d\n", *pt1, *pt2, iscore ); + } + if( *pt1++ != '-' ) pos1++; + if( *pt2++ != '-' ) pos2++; + } + if( *(pt1-1) != '-' && *(pt2-1) != '-' ) + { + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + end1 = pos1 - 1; + end2 = pos2 - 1; + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = (double)iscore / tmppt->overlapaa * 5.8 / 600; + } + else + { + isumscore += iscore; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "iscore (2)= %d\n", iscore ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + } + + if( !divpairscore ) + { + for( tmppt=localhompt; tmppt; tmppt=tmppt->next ) + { + tmppt->overlapaa = sumoverlap; + tmppt->opt = (double)isumscore * 5.8 / ( 600 * sumoverlap ); +// fprintf( stderr, "tmpptr->opt = %f\n", tmppt->opt ); + } + } +} +void putlocalhom( char *al1, char *al2, LocalHom *localhompt, int off1, int off2, int opt, int overlapaa ) +{ + int pos1, pos2, start1, start2, end1, end2; + char *pt1, *pt2; + double score; + double sumscore; + int sumoverlap; + LocalHom *tmppt = localhompt; + int nlocalhom = 0; + int st; + pt1 = al1; pt2 = al2; + pos1 = off1; pos2 = off2; + + + sumscore = 0.0; + sumoverlap = 0; + start1 = 0; // by D.Mathog, a guess + start2 = 0; // by D.Mathog, a guess + + st = 0; + score = 0.0; + while( *pt1 != 0 ) + { +// fprintf( stderr, "pt = %c, %c, st=%d\n", *pt1, *pt2, st ); + if( st == 1 && ( *pt1 == '-' || *pt2 == '-' ) ) + { + end1 = pos1 - 1; + end2 = pos2 - 1; + + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = score / tmppt->overlapaa * 5.8 / 600; + } + else + { + sumscore += score; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "score (1)= %f\n", score ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + score = 0.0; + st = 0; + } + else if( *pt1 != '-' && *pt2 != '-' ) + { + if( st == 0 ) + { + start1 = pos1; start2 = pos2; + st = 1; + } + score += (double)n_dis[(int)amino_n[(int)*pt1]][(int)amino_n[(int)*pt2]]; // - offset ¤Ï¤¤¤é¤Ê¤¤¤«¤â +// fprintf( stderr, "%c-%c, score(0) = %f\n", *pt1, *pt2, score ); + } + if( *pt1++ != '-' ) pos1++; + if( *pt2++ != '-' ) pos2++; + } + if( nlocalhom++ > 0 ) + { +// fprintf( stderr, "reallocating ...\n" ); + tmppt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); +// fprintf( stderr, "done\n" ); + tmppt = tmppt->next; + tmppt->next = NULL; + } + end1 = pos1 - 1; + end2 = pos2 - 1; + tmppt->start1 = start1; + tmppt->start2 = start2; + tmppt->end1 = end1 ; + tmppt->end2 = end2 ; + +#if 1 + if( divpairscore ) + { + tmppt->overlapaa = end2-start2+1; + tmppt->opt = score / tmppt->overlapaa * 5.8 / 600; + } + else + { + sumscore += score; + sumoverlap += end2-start2+1; + } +#else + tmppt->overlapaa = overlapaa; + tmppt->opt = (double)opt; +#endif + +#if 0 + fprintf( stderr, "score (2)= %f\n", score ); + fprintf( stderr, "al1: %d - %d\n", start1, end1 ); + fprintf( stderr, "al2: %d - %d\n", start2, end2 ); +#endif + + if( !divpairscore ) + { + for( tmppt=localhompt; tmppt; tmppt=tmppt->next ) + { + tmppt->overlapaa = sumoverlap; + tmppt->opt = sumscore * 5.8 / 600 / sumoverlap; +// fprintf( stderr, "tmpptr->opt = %f\n", tmppt->opt ); + } + } +} + +char *cutal( char *al, int al_display_start, int start, int end ) +{ + int pos; + char *pt = al; + char *val = NULL; + + pos = al_display_start; + do + { + if( start == pos ) val = pt; + if( end == pos ) break; +// fprintf( stderr, "pos=%d, *pt=%c, val=%p\n", pos, *pt, val ); + if( *pt != '-' ) pos++; + } while( *pt++ != 0 ); + *(pt+1) = 0; + return( val ); +} + +void ErrorExit( char *message ) +{ + fprintf( stderr, "%s\n", message ); + exit( 1 ); +} + +void strncpy_caseC( char *str1, char *str2, int len ) +{ + if( dorp == 'd' && upperCase > 0 ) + { + while( len-- ) + *str1++ = toupper( *str2++ ); + } + else strncpy( str1, str2, len ); +} + +void seqUpper( int nseq, char **seq ) /* not used */ +{ + int i, j, len; + for( i=0; i return 1 */ +{ + int c, i = 0 ; + int noteofflag = 0; + for( i=0; i return 1 */ +char s[] ; int l ; FILE *fp ; +{ + int c = 0, i = 0 ; + int noteofflag = 0; + + if( feof( fp ) ) return( 1 ); + + for( i=0; i M ) + { + fprintf( stderr, "TOO MANY SEQUENCE!\n" ); + fprintf( stderr, "%d > %d\n", njob, M ); + exit( 1 ); + } +} + +int allSpace( char *str ) +{ + int value = 1; + while( *str ) value *= ( !isdigit( *str++ ) ); + return( value ); +} + +void Read( char name[M][B], int nlen[M], char **seq ) +{ + extern void FRead( FILE *x, char y[M][B], int z[M], char **w ); + FRead( stdin, name, nlen, seq ); +} + + +void FRead( FILE *fp, char name[][B], int nlen[], char **seq ) +{ + int i, j; + char b[B]; + + fgets( b, B-1, fp ); +#if DEBUG + fprintf( stderr, "b = %s\n", b ); +#endif + + if( strstr( b, "onnet" ) ) scoremtx = 1; + else if( strstr( b, "DnA" ) ) + { + scoremtx = -1; + upperCase = -1; + } + else if( strstr( b, "dna" ) ) + { + scoremtx = -1; + upperCase = 0; + } + else if( strstr( b, "DNA" ) ) + { + scoremtx = -1; + upperCase = 1; + } + else if( strstr( b, "M-Y" ) || strstr( b, "iyata" ) ) scoremtx = 2; + else scoremtx = 0; +#if DEBUG + fprintf( stderr, " %s->scoremtx = %d\n", b, scoremtx ); +#endif + + geta2 = GETA2; + +#if 0 + if( strlen( b ) >=25 ) + { + b[25] = 0; + #if DEBUG + fprintf( stderr, "kimuraR = %s\n", b+20 ); + #endif + kimuraR = atoi( b+20 ); + + if( kimuraR < 0 || 20 < kimuraR ) ErrorExit( "Illeagal kimuraR value.\n" ); + if( allSpace( b+20 ) ) kimuraR = NOTSPECIFIED; + } + else kimuraR = NOTSPECIFIED; + #if DEBUG + fprintf( stderr, "kimuraR = %d\n", kimuraR ); + #endif + + if( strlen( b ) >=20 ) + { + b[20] = 0; + #if DEBUG + fprintf( stderr, "pamN = %s\n", b+15 ); + #endif + pamN = atoi( b+15 ); + if( pamN < 0 || 400 < pamN ) ErrorExit( "Illeagal pam value.\n" ); + if( allSpace( b+15 ) ) pamN = NOTSPECIFIED; + } + else pamN = NOTSPECIFIED; + + if( strlen( b ) >= 15 ) + { + b[15] = 0; + #if DEBUG + fprintf( stderr, "poffset = %s\n", b+10 ); + #endif + poffset = atoi( b+10 ); + if( poffset > 500 ) ErrorExit( "Illegal extending gap ppenalty\n" ); + if( allSpace( b+10 ) ) poffset = NOTSPECIFIED; + } + else poffset = NOTSPECIFIED; + + if( strlen( b ) >= 10 ) + { + b[10] = 0; + #if DEBUG + fprintf( stderr, "ppenalty = %s\n", b+5 ); + #endif + ppenalty = atoi( b+5 ); + if( ppenalty > 0 ) ErrorExit( "Illegal opening gap ppenalty\n" ); + if( allSpace( b+5 ) ) ppenalty = NOTSPECIFIED; + } + else ppenalty = NOTSPECIFIED; +#endif + + for( i=0; i' ) ) + value++; + b = c; + } + rewind( fp ); + return( value ); +} + +void searchKUorWA( FILE *fp ) +{ + int c, b; + b = '\n'; + while( !( ( ( c = getc( fp ) ) == '>' || c == EOF ) && b == '\n' ) ) + b = c; + ungetc( c, fp ); +} + +static int onlyGraph( char *str ) +{ + char tmp; + char *res = str; + char *bk = str; + +// while( (tmp=*str++) ) if( isgraph( tmp ) ) *res++ = tmp; + while( (tmp=*str++) ) + { + if( 0x20 < tmp && tmp < 0x7f ) *res++ = tmp; + if( tmp == '>' ) + { + fprintf( stderr, "========================================================\n" ); + fprintf( stderr, "========================================================\n" ); + fprintf( stderr, "=== \n" ); + fprintf( stderr, "=== ERROR!! \n" ); + fprintf( stderr, "=== In the '--anysymbol' and '--preservecase' modes, \n" ); + fprintf( stderr, "=== '>' in sequence is unacceptable.\n" ); + fprintf( stderr, "=== \n" ); + fprintf( stderr, "========================================================\n" ); + fprintf( stderr, "========================================================\n" ); + exit( 1 ); + } + } + *res = 0; + return( res - bk ); +} + +static int onlyAlpha_lower( char *str ) +{ + char tmp; + char *res = str; + char *bk = str; + + while( (tmp=*str++) ) + if( isalpha( tmp ) || tmp == '-' || tmp == '*' || tmp == '.' ) + *res++ = tolower( tmp ); + *res = 0; + return( res - bk ); +} +static int onlyAlpha_upper( char *str ) +{ + char tmp; + char *res = str; + char *bk = str; + + while( (tmp=*str++) ) + if( isalpha( tmp ) || tmp == '-' || tmp == '*' || tmp == '.' ) + *res++ = toupper( tmp ); + *res = 0; + return( res - bk ); +} + +void kake2hiku( char *str ) +{ + do + if( *str == '*' ) *str = '-'; + while( *str++ ); +} + +char *load1SeqWithoutName_realloc_casepreserve( FILE *fpp ) +{ + int c, b; + char *cbuf; + int size = N; + char *val; + + val = malloc( (size+1) * sizeof( char ) ); + cbuf = val; + + b = '\n'; + while( ( c = getc( fpp ) ) != EOF && + !( ( c == '>' || c == '(' || c == EOF ) && b == '\n' ) ) + { + *cbuf++ = (char)c; /* Ť¹¤®¤Æ¤â¤·¤é¤Ê¤¤ */ + if( cbuf - val == size ) + { + size += N; + fprintf( stderr, "reallocating...\n" ); + val = (char *)realloc( val, (size+1) * sizeof( char ) ); + if( !val ) + { + fprintf( stderr, "Allocation error in load1SeqWithoutName_realloc \n" ); + exit( 1 ); + } + fprintf( stderr, "done.\n" ); + cbuf = val + size-N; + } + b = c; + } + ungetc( c, fpp ); + *cbuf = 0; + onlyGraph( val ); +// kake2hiku( val ); + return( val ); +} + +char *load1SeqWithoutName_realloc( FILE *fpp ) +{ + int c, b; + char *cbuf; + int size = N; + char *val; + + val = malloc( (size+1) * sizeof( char ) ); + cbuf = val; + + b = '\n'; + while( ( c = getc( fpp ) ) != EOF && + !( ( c == '>' || c == '(' || c == EOF ) && b == '\n' ) ) + { + *cbuf++ = (char)c; /* Ť¹¤®¤Æ¤â¤·¤é¤Ê¤¤ */ + if( cbuf - val == size ) + { + size += N; + fprintf( stderr, "reallocating...\n" ); + val = (char *)realloc( val, (size+1) * sizeof( char ) ); + if( !val ) + { + fprintf( stderr, "Allocation error in load1SeqWithoutName_realloc \n" ); + exit( 1 ); + } + fprintf( stderr, "done.\n" ); + cbuf = val + size-N; + } + b = c; + } + ungetc( c, fpp ); + *cbuf = 0; + if( dorp == 'd' ) + onlyAlpha_lower( val ); + else + onlyAlpha_upper( val ); + kake2hiku( val ); + return( val ); +} + +int load1SeqWithoutName_new( FILE *fpp, char *cbuf ) +{ + int c, b; + char *bk = cbuf; + + b = '\n'; + while( ( c = getc( fpp ) ) != EOF && /* by T. Nishiyama */ + !( ( c == '>' || c == '(' || c == EOF ) && b == '\n' ) ) + { + *cbuf++ = (char)c; /* Ť¹¤®¤Æ¤â¤·¤é¤Ê¤¤ */ + b = c; + } + ungetc( c, fpp ); + *cbuf = 0; + if( dorp == 'd' ) + onlyAlpha_lower( bk ); + else + onlyAlpha_upper( bk ); + kake2hiku( bk ); + return( 0 ); +} + + +void readDataforgaln( FILE *fp, char **name, int *nlen, char **seq ) +{ + int i; + static char *tmpseq = NULL; + +#if 0 + if( !tmpseq ) + { + tmpseq = AllocateCharVec( N ); + } +#endif + + rewind( fp ); + searchKUorWA( fp ); + + for( i=0; i', stdout ); +// puts( dumname+1 ); + + + strncat( name[npos], dumname, B-1 ); + name[npos][B-1] = 0; + + if( dorp == 'd' && upperCase != -1 ) seqLower( 1, &tmpseq ); + seqlen = strlen( tmpseq ); + lpos = 0; + for( j=0; j<5; j++ ) + { + if( regtable[0][j*2] == -1 && regtable[0][j*2+1] == -1 ) continue; + + startpos = regtable[0][j*2]; + endpos = regtable[0][j*2+1]; + if( startpos > endpos ) + { + endpos = regtable[0][j*2]; + startpos = regtable[0][j*2+1]; + } + + if( startpos < 0 ) startpos = 0; + if( endpos < 0 ) endpos = 0; + if( endpos >= seqlen ) endpos = seqlen-1; + if( startpos >= seqlen ) startpos = seqlen-1; + +// fprintf( stderr, "startpos = %d, endpos = %d\n", startpos, endpos ); + + outlen = endpos - startpos+1; + if( revtable[0][j] == 'f' ) + { +// fprintf( stderr, "regtable[%d][st] = %d\n", i, regtable[0][j*2+0] ); +// fprintf( stderr, "regtable[%d][en] = %d\n", i, regtable[0][j*2+1] ); +// fprintf( stderr, "outlen = %d\n", outlen ); +// fprintf( stdout, "%.*s\n", outlen, tmpseq+regtable[0][j*2] ); + strncpy( outseq[npos] + lpos, tmpseq+startpos, outlen ); + lpos += outlen; + } + else + { + fs = AllocateCharVec( outlen+1 ); + rs = AllocateCharVec( outlen+1 ); + + fs[outlen] = 0; + strncpy( fs, tmpseq+startpos, outlen ); + sreverse( rs, fs ); +// fprintf( stdout, "%s\n", rs ); + strncpy( outseq[npos] + lpos, rs, outlen ); + lpos += outlen; + free( fs ); + free( rs ); + } + outseq[npos][lpos] = 0; + } + npos++; + } + free( tmpseq ); + } +} + +void cutData( FILE *fp, int **regtable, char **revtable, int *outtable ) +{ + int i, j; + int outlen, seqlen, startpos, endpos; + static char *tmpseq = NULL; + static char *dumname = NULL; + char *fs, *rs; + + if( dumname == NULL ) + { + dumname = AllocateCharVec( N ); + } + + rewind( fp ); + searchKUorWA( fp ); + + for( i=0; i', stdout ); + puts( dumname+1 ); + + seqlen = strlen( tmpseq ); + + if( dorp == 'd' && upperCase != -1 ) seqLower( 1, &tmpseq ); + for( j=0; j<5; j++ ) + { + if( regtable[i][j*2] == -1 && regtable[i][j*2+1] == -1 ) continue; + + startpos = regtable[i][j*2]; + endpos = regtable[i][j*2+1]; + + if( startpos > endpos ) + { + endpos = regtable[i][j*2]; + startpos = regtable[i][j*2+1]; + } + + if( startpos < 0 ) startpos = 0; + if( endpos < 0 ) endpos = 0; + if( endpos >= seqlen ) endpos = seqlen-1; + if( startpos >= seqlen ) startpos = seqlen-1; + + outlen = endpos - startpos + 1; + if( revtable[i][j] == 'f' ) + { + fprintf( stderr, "startpos = %d\n", startpos ); + fprintf( stderr, "endpos = %d\n", endpos ); + fprintf( stderr, "outlen = %d\n", outlen ); + fprintf( stdout, "%.*s\n", outlen, tmpseq+startpos ); + } + else + { + fs = AllocateCharVec( outlen+1 ); + rs = AllocateCharVec( outlen+1 ); + + fs[outlen] = 0; + strncpy( fs, tmpseq+startpos, outlen ); + sreverse( rs, fs ); + fprintf( stdout, "%s\n", rs ); + free( fs ); + free( rs ); + } + } + } + free( tmpseq ); + } +} + +void catData( FILE *fp ) +{ + int i; + static char *tmpseq = NULL; + static char *dumname = NULL; +// char *cptr; + + if( dumname == NULL ) + { + dumname = AllocateCharVec( N ); + } + + rewind( fp ); + searchKUorWA( fp ); + + for( i=0; i_numo_s_%08d_numo_e_", i+1 ); + } + else + { + putc( '>', stdout ); + } + puts( dumname+1 ); + tmpseq = load1SeqWithoutName_realloc( fp ); + if( dorp == 'd' && upperCase != -1 ) seqLower( 1, &tmpseq ); + puts( tmpseq ); + free( tmpseq ); + } +} + +int countATGC( char *s, int *total ) +{ + int nATGC; + int nChar; + char c; + nATGC = nChar = 0; + + if( *s == 0 ) + { + total = 0; + return( 0 ); + } + + do + { + c = tolower( *s ); + if( isalpha( c ) ) + { + nChar++; + if( c == 'a' || c == 't' || c == 'g' || c == 'c' || c == 'u' || c == 'n' ) + nATGC++; + } + } + while( *++s ); + + *total = nChar; + return( nATGC ); +} + +double countATGCbk( char *s ) +{ + int nATGC; + int nChar; + char c; + nATGC = nChar = 0; + + do + { + c = tolower( *s ); + if( isalpha( c ) ) + { + nChar++; + if( c == 'a' || c == 't' || c == 'g' || c == 'c' || c == 'u' || c == 'n' ) + nATGC++; + } + } + while( *++s ); + return( (double)nATGC / nChar ); +} + + +int countnogaplen( char *seq ) +{ + int val = 0; + while( *seq ) + if( *seq++ != '-' ) val++; + return( val ); +} + +void getnumlen_casepreserve( FILE *fp, int *nlenminpt ) +{ + int total; + int nsite = 0; + int atgcnum; + int i, tmp; + char *tmpseq, *tmpname; + double atgcfreq; + tmpname = AllocateCharVec( N ); + njob = countKUorWA( fp ); + searchKUorWA( fp ); + nlenmax = 0; + *nlenminpt = 99999999; + atgcnum = 0; + total = 0; + for( i=0; i nlenmax ) nlenmax = tmp; + if( tmp < *nlenminpt ) *nlenminpt = tmp; + atgcnum += countATGC( tmpseq, &nsite ); + total += nsite; + free( tmpseq ); + } + free( tmpname ); + atgcfreq = (double)atgcnum / total; +// fprintf( stderr, "##### atgcfreq = %f\n", atgcfreq ); + if( dorp == NOTSPECIFIED ) + { + if( atgcfreq > 0.75 ) + { + dorp = 'd'; + upperCase = -1; + } + else + { + dorp = 'p'; + upperCase = 0; + } + } +} + +void getnumlen_nogap( FILE *fp, int *nlenminpt ) +{ + int total; + int nsite = 0; + int atgcnum; + int i, tmp; + char *tmpseq, *tmpname; + double atgcfreq; + tmpname = AllocateCharVec( N ); + njob = countKUorWA( fp ); + searchKUorWA( fp ); + nlenmax = 0; + *nlenminpt = 99999999; + atgcnum = 0; + total = 0; + for( i=0; i nlenmax ) nlenmax = tmp; + if( tmp < *nlenminpt ) *nlenminpt = tmp; + atgcnum += countATGC( tmpseq, &nsite ); + total += nsite; + free( tmpseq ); + } + free( tmpname ); + atgcfreq = (double)atgcnum / total; + fprintf( stderr, "##### atgcfreq = %f\n", atgcfreq ); + if( dorp == NOTSPECIFIED ) + { + if( atgcfreq > 0.75 ) + { + dorp = 'd'; + upperCase = -1; + } + else + { + dorp = 'p'; + upperCase = 0; + } + } +} + + +void getnumlen_nogap_outallreg( FILE *fp, int *nlenminpt ) +{ + int total; + int nsite = 0; + int atgcnum; + int i, tmp; + char *tmpseq, *tmpname; + double atgcfreq; + tmpname = AllocateCharVec( N ); + njob = countKUorWA( fp ); + searchKUorWA( fp ); + nlenmax = 0; + *nlenminpt = 99999999; + atgcnum = 0; + total = 0; + for( i=0; i nlenmax ) nlenmax = tmp; + if( tmp < *nlenminpt ) *nlenminpt = tmp; + atgcnum += countATGC( tmpseq, &nsite ); + total += nsite; + free( tmpseq ); + } + free( tmpname ); + atgcfreq = (double)atgcnum / total; + fprintf( stderr, "##### atgcfreq = %f\n", atgcfreq ); + if( dorp == NOTSPECIFIED ) + { + if( atgcfreq > 0.75 ) + { + dorp = 'd'; + upperCase = -1; + } + else + { + dorp = 'p'; + upperCase = 0; + } + } +} + +void getnumlen_nogap_outallreg_web( FILE *fp, FILE *ofp, int *nlenminpt, int *isalignedpt ) +{ + int total; + int nsite = 0; + int atgcnum; + int alnlen = 0, alnlen_prev; + int i, tmp; + char *tmpseq, *tmpname; + double atgcfreq; + tmpname = AllocateCharVec( N ); + njob = countKUorWA( fp ); + searchKUorWA( fp ); + nlenmax = 0; + *nlenminpt = 99999999; + atgcnum = 0; + total = 0; + alnlen_prev = -1; + *isalignedpt = 1; + for( i=0; i nlenmax ) nlenmax = tmp; + if( tmp < *nlenminpt ) *nlenminpt = tmp; + atgcnum += countATGC( tmpseq, &nsite ); + total += nsite; + + alnlen = strlen( tmpseq ); +// fprintf( stdout, "##### alnlen, alnlen_prev = %d, %d\n", alnlen, alnlen_prev ); + if( i>0 && alnlen_prev != alnlen ) *isalignedpt = 0; + alnlen_prev = alnlen; + + free( tmpseq ); + atgcfreq = (double)atgcnum / total; +// fprintf( stderr, "##### atgcfreq = %f\n", atgcfreq ); +// if( dorp == NOTSPECIFIED ) // you kentou + { + if( atgcfreq > 0.75 ) + { + dorp = 'd'; + upperCase = -1; + } + else + { + dorp = 'p'; + upperCase = 0; + } + } + + + + + fprintf( ofp, " \n", i, i, i, tmpname ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + } + free( tmpname ); + atgcfreq = (double)atgcnum / total; + fprintf( stderr, "##### atgcfreq = %f\n", atgcfreq ); +// if( dorp == NOTSPECIFIED ) // you kentou + { + if( atgcfreq > 0.75 ) + { + dorp = 'd'; + upperCase = -1; + } + else + { + dorp = 'p'; + upperCase = 0; + } + } + if( *isalignedpt ) + { + fprintf( ofp, "\n" ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + fprintf( ofp, "" ); + } + +} + +void getnumlen( FILE *fp ) +{ + int total; + int nsite = 0; + int atgcnum; + int i, tmp; + char *tmpseq; + char *tmpname; + double atgcfreq; + tmpname = AllocateCharVec( N ); + njob = countKUorWA( fp ); + searchKUorWA( fp ); + nlenmax = 0; + atgcnum = 0; + total = 0; + for( i=0; i nlenmax ) nlenmax = tmp; + atgcnum += countATGC( tmpseq, &nsite ); + total += nsite; +// fprintf( stderr, "##### total = %d\n", total ); + free( tmpseq ); + } + + atgcfreq = (double)atgcnum / total; +// fprintf( stderr, "##### atgcfreq = %f\n", atgcfreq ); + if( dorp == NOTSPECIFIED ) + { + if( atgcfreq > 0.75 ) + { + dorp = 'd'; + upperCase = -1; + } + else + { + dorp = 'p'; + upperCase = 0; + } + } + free( tmpname ); +} + + + +void WriteGapFill( FILE *fp, int locnjob, char name[][B], int nlen[M], char **aseq ) +{ + static char b[N]; + int i, j; + int nalen[M]; + static char gap[N]; + static char buff[N]; + +#if IODEBUG + fprintf( stderr, "IMAKARA KAKU\n" ); +#endif + nlenmax = 0; + for( i=0; i%s\n", name[i]+1 ); + for( j=0; j%s\n", name[i]+1 ); + for( j=0; j%s\n", name[i]+1 ); + for( j=0; j max ) max = mtx[i][j]; + + fprintf( hat2p, "%5d\n", 1 ); + fprintf( hat2p, "%5d\n", locnjob ); + fprintf( hat2p, " %#6.3f\n", max * 2.5 ); + + for( i=0; i max ) max = mtx[i][j]; + + fprintf( hat2p, "%5d\n", 1 ); + fprintf( hat2p, "%5d\n", locnjob ); + fprintf( hat2p, " %#6.3f\n", max * 2.5 ); + + for( i=0; i max ) max = mtx[i][j]; + + fprintf( hat2p, "%5d\n", 1 ); + fprintf( hat2p, "%5d\n", locnjob ); + fprintf( hat2p, " %#6.3f\n", max * 2.5 ); + + for( i=0; i max ) max = mtx[i][j]; + max /= INTMTXSCALE; + + fprintf( hat2p, "%5d\n", 1 ); + fprintf( hat2p, "%5d\n", locnjob ); + fprintf( hat2p, " %#6.3f\n", max * 2.5 ); + + for( i=0; i max ) max = mtx[i][j]; + + fprintf( hat2p, "%5d\n", 1 ); + fprintf( hat2p, "%5d\n", locnjob ); + fprintf( hat2p, " %#6.3f\n", max * 2.5 ); + + for( i=0; i max ) max = mtx[i][j]; + + fprintf( hat2p, "%5d\n", 1 ); + fprintf( hat2p, "%5d\n", locnjob ); + fprintf( hat2p, " %#6.3f\n", max * 2.5 ); + + for( i=0; i", b, 19 ) || !strncmp( " ", b, 23 ) ) break; + } + + if( !strncmp( " ", b, 19 ) ) + { + junban[count] = atoi( b+31 ); + nlocalhom = 0; + } + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 25 ) ) break; + pt = b + 25; + score = atof( pt ); + sumscore += score; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 30 ) ) break; + pt = b + 30; + qstart = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 28 ) ) break; + pt = b + 28; + qend = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 28 ) ) break; + pt = b + 28; + tstart = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 26 ) ) break; + pt = b + 26; + tend = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 29 ) ) break; + pt = b + 29; + len = atoi( pt ); + sumlen += len; + + + while( fgets( al, N-100, fp ) ) + if( !strncmp( " ", al, 24 ) ) break; + + strcpy( qal, al+24 ); + pt = qal; + while( *++pt != '<' ) + ; + *pt = 0; + + + while( fgets( al, N-100, fp ) ) + if( !strncmp( " ", al, 24 ) ) break; + + strcpy( tal, al+24 ); + pt = tal; + while( *++pt != '<' ) + ; + *pt = 0; + + +// fprintf( stderr, "t=%d, score = %f, qstart=%d, qend=%d, tstart=%d, tend=%d, overlapaa=%d\n", junban[count], score, qstart, qend, tstart, tend, overlapaa ); + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " :", b, 18 ) ) break; + + + fgets( b, B-1, fp ); + + + if( !strncmp( " ", b, 21 ) ) + { + dis[junban[count++]] = sumscore; + sumscore = 0.0; + fgets( b, B-1, fp ); + fgets( b, B-1, fp ); + scorepersite = sumscore / sumlen; + if( scorepersite != (int)scorepersite ) + { + fprintf( stderr, "ERROR! sumscore=%f, sumlen=%f, and scorepersite=%f\n", sumscore, sumlen, scorepersite ); + exit( 1 ); + } + + if( !strncmp( " ", b, 23 ) ) break; + } + } + + free( junban ); + + return (int)scorepersite; +} +int ReadBlastm7_scoreonly( FILE *fp, double *dis, int nin ) +{ + int count=0; + char b[B]; + char *pt; + int *junban; + int overlapaa; + double score, sumscore; + int qstart, qend, tstart, tend; + static char qal[N], tal[N], al[N]; + int nlocalhom; + + junban = calloc( nin, sizeof( int ) ); + + count = 0; + sumscore = 0.0; + score = 0.0; + while( 1 ) + { + + if( feof( fp ) ) break; + + while( fgets( b, B-1, fp ) ) + { + if( !strncmp( " ", b, 19 ) || !strncmp( " ", b, 23 ) ) break; + } + + if( !strncmp( " ", b, 19 ) ) + { + junban[count] = atoi( b+31 ); + nlocalhom = 0; + } + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 25 ) ) break; + pt = b + 25; + score = atof( pt ); + sumscore += score; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 30 ) ) break; + pt = b + 30; + qstart = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 28 ) ) break; + pt = b + 28; + qend = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 28 ) ) break; + pt = b + 28; + tstart = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 26 ) ) break; + pt = b + 26; + tend = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 29 ) ) break; + pt = b + 29; + overlapaa = atoi( pt ); + + + while( fgets( al, N-100, fp ) ) + if( !strncmp( " ", al, 24 ) ) break; + + strcpy( qal, al+24 ); + pt = qal; + while( *++pt != '<' ) + ; + *pt = 0; + + + while( fgets( al, N-100, fp ) ) + if( !strncmp( " ", al, 24 ) ) break; + + strcpy( tal, al+24 ); + pt = tal; + while( *++pt != '<' ) + ; + *pt = 0; + + +// fprintf( stderr, "t=%d, score = %f, qstart=%d, qend=%d, tstart=%d, tend=%d, overlapaa=%d\n", junban[count], score, qstart, qend, tstart, tend, overlapaa ); + +// nlocalhom += addlocalhom_r( qal, tal, localhomlist+junban[count], qstart, tstart, score, overlapaa, nlocalhom ); + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " :", b, 18 ) ) break; + + + fgets( b, B-1, fp ); + + + if( !strncmp( " ", b, 21 ) ) + { + dis[junban[count++]] = sumscore; + sumscore = 0.0; + fgets( b, B-1, fp ); + fgets( b, B-1, fp ); + if( !strncmp( " ", b, 23 ) ) break; + } + } + + free( junban ); + + return count; +} + +int ReadBlastm7( FILE *fp, double *dis, int qmem, char name[M][B], LocalHom *localhomlist ) +{ + int count=0; + char b[B]; + char *pt; + static int junban[M]; + int overlapaa; + double score, sumscore; + int qstart, qend, tstart, tend; + static char qal[N], tal[N], al[N]; + int nlocalhom; + + + + count = 0; + sumscore = 0.0; + score = 0.0; + nlocalhom = 0; + while( 1 ) + { + + if( feof( fp ) ) break; + + while( fgets( b, B-1, fp ) ) + { + if( !strncmp( " ", b, 19 ) || !strncmp( " ", b, 23 ) ) break; + } + + if( !strncmp( " ", b, 19 ) ) + { + junban[count] = atoi( b+31 ); + nlocalhom = 0; + } + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 25 ) ) break; + pt = b + 25; + score = atof( pt ); + sumscore += score; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 30 ) ) break; + pt = b + 30; + qstart = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 28 ) ) break; + pt = b + 28; + qend = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 28 ) ) break; + pt = b + 28; + tstart = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 26 ) ) break; + pt = b + 26; + tend = atoi( pt ) - 1; + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " ", b, 29 ) ) break; + pt = b + 29; + overlapaa = atoi( pt ); + + + while( fgets( al, N-100, fp ) ) + if( !strncmp( " ", al, 24 ) ) break; + + strcpy( qal, al+24 ); + pt = qal; + while( *++pt != '<' ) + ; + *pt = 0; + + + while( fgets( al, N-100, fp ) ) + if( !strncmp( " ", al, 24 ) ) break; + + strcpy( tal, al+24 ); + pt = tal; + while( *++pt != '<' ) + ; + *pt = 0; + + +// fprintf( stderr, "t=%d, score = %f, qstart=%d, qend=%d, tstart=%d, tend=%d, overlapaa=%d\n", junban[count], score, qstart, qend, tstart, tend, overlapaa ); + + nlocalhom += addlocalhom_r( qal, tal, localhomlist+junban[count], qstart, tstart, score, overlapaa, nlocalhom ); + + while( fgets( b, B-1, fp ) ) + if( !strncmp( " :", b, 18 ) ) break; + + + fgets( b, B-1, fp ); + + + if( !strncmp( " ", b, 21 ) ) + { + dis[junban[count++]] = sumscore; + sumscore = 0.0; + fgets( b, B-1, fp ); + fgets( b, B-1, fp ); + if( !strncmp( " ", b, 23 ) ) break; + } + } + return count; +} + +int ReadFasta34noalign( FILE *fp, double *dis, int qmem, char name[M][B], LocalHom *localhomlist ) +{ + int count=0; + char b[B]; + char *pt; + static int junban[M]; + int opt; + double z, bits; + + + count = 0; +#if 0 + for( i=0; i<10000000 && count>+==========+", b, 14 ) ) + { + break; + } + + } + if( !count ) return -1; + + count = 0; + while( 1 ) + { + if( strncmp( ">>+==========+", b, 14 ) ) + { + fgets( b, B-1, fp ); + if( feof( fp ) ) break; + continue; + } + junban[count++] = atoi( b+14 ); +// fprintf( stderr, "t = %d\n", atoi( b+14 ) ); + while( fgets( b, B-1, fp ) ) + if( !strncmp( "; fa_opt:", b, 9 ) || !strncmp( "; sw_s-w opt:", b, 13 ) ) break; + pt = strstr( b, ":" ) +1; + opt = atoi( pt ); + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_overlap:", b+4, 9 ) ) break; + pt = strstr( b, ":" ) +1; + overlapaa = atoi( pt ); + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_start:", b+4, 7 ) ) break; + pt = strstr( b, ":" ) +1; + qstart = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_stop:", b+4, 6 ) ) break; + pt = strstr( b, ":" ) +1; + qend = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_display_start:", b+4, 15 ) ) break; + pt = strstr( b, ":" ) +1; + qal_display_start = atoi( pt ) - 1; + + pt = qal; + while( (c = fgetc( fp )) ) + { + if( c == '>' ) + { + ungetc( c, fp ); + break; + } + if( isalpha( c ) || c == '-' ) + *pt++ = c; + } + *pt = 0; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_start:", b+4, 7 ) ) break; + pt = strstr( b, ":" ) + 1; + tstart = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_stop:", b+4, 6 ) ) break; + pt = strstr( b, ":" ) + 1; + tend = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_display_start:", b+4, 15 ) ) break; + pt = strstr( b, ":" ) + 1; + tal_display_start = atoi( pt ) - 1; + + pt = tal; + while( ( c = fgetc( fp ) ) ) + { + if( c == '>' ) + { + ungetc( c, fp ); + break; + } + if( isalpha( c ) || c == '-' ) + *pt++ = c; + } + *pt = 0; + +// fprintf( stderr, "(%d-%d:%d-%d)\n", qstart, qend, tstart, tend ); +// fprintf( stderr, "qal_display_start = %d, tal_display_start = %d\n", qal_display_start, tal_display_start ); + +// fprintf( stderr, "qal = %s\n", qal ); +// fprintf( stderr, "tal = %s\n", tal ); + + qal2 = cutal( qal, qal_display_start, qstart, qend ); + tal2 = cutal( tal, tal_display_start, tstart, tend ); + +// fprintf( stderr, "qal2 = %s\n", qal2 ); +// fprintf( stderr, "tal2 = %s\n", tal2 ); + +// fprintf( stderr, "putting %d - %d, opt = %d\n", qmem, junban[count-1], opt ); + putlocalhom( qal2, tal2, localhomlist+junban[count-1], qstart, tstart, opt, overlapaa ); + } +// fprintf( stderr, "count = %d\n", count ); + return count; +} +int ReadFasta34m10( FILE *fp, double *dis, int qmem, char name[M][B], LocalHom *localhomlist ) +{ + int count=0; + char b[B]; + char *pt; + static int junban[M]; + int overlapaa; + int opt, qstart, qend, tstart, tend; + double z, bits; + int qal_display_start, tal_display_start; + static char qal[N], tal[N]; + char *qal2, *tal2; + int c; + + + count = 0; +#if 0 + for( i=0; i<10000000 && count>+==========+", b, 14 ) ) + { + break; + } + + } + if( !count ) return -1; + + count = 0; + while( 1 ) + { + if( strncmp( ">>+==========+", b, 14 ) ) + { + fgets( b, B-1, fp ); + if( feof( fp ) ) break; + continue; + } + junban[count++] = atoi( b+14 ); +// fprintf( stderr, "t = %d\n", atoi( b+14 ) ); + while( fgets( b, B-1, fp ) ) + if( !strncmp( "; fa_opt:", b, 9 ) || !strncmp( "; sw_s-w opt:", b, 13 ) ) break; + pt = strstr( b, ":" ) +1; + opt = atoi( pt ); + + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_overlap:", b+4, 9 ) ) break; + pt = strstr( b, ":" ) +1; + overlapaa = atoi( pt ); + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_start:", b+4, 7 ) ) break; + pt = strstr( b, ":" ) +1; + qstart = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_stop:", b+4, 6 ) ) break; + pt = strstr( b, ":" ) +1; + qend = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_display_start:", b+4, 15 ) ) break; + pt = strstr( b, ":" ) +1; + qal_display_start = atoi( pt ) - 1; + + pt = qal; + while( (c = fgetc( fp )) ) + { + if( c == '>' ) + { + ungetc( c, fp ); + break; + } + if( isalpha( c ) || c == '-' ) + *pt++ = c; + } + *pt = 0; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_start:", b+4, 7 ) ) break; + pt = strstr( b, ":" ) + 1; + tstart = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_stop:", b+4, 6 ) ) break; + pt = strstr( b, ":" ) + 1; + tend = atoi( pt ) - 1; + + while( fgets( b, B-1, fp ) ) + if( !strncmp( "_display_start:", b+4, 15 ) ) break; + pt = strstr( b, ":" ) + 1; + tal_display_start = atoi( pt ) - 1; + + pt = tal; + while( ( c = fgetc( fp ) ) ) + { + if( c == '>' ) + { + ungetc( c, fp ); + break; + } + if( isalpha( c ) || c == '-' ) + *pt++ = c; + } + *pt = 0; + +// fprintf( stderr, "(%d-%d:%d-%d)\n", qstart, qend, tstart, tend ); +// fprintf( stderr, "qal_display_start = %d, tal_display_start = %d\n", qal_display_start, tal_display_start ); + +// fprintf( stderr, "qal = %s\n", qal ); +// fprintf( stderr, "tal = %s\n", tal ); + + qal2 = cutal( qal, qal_display_start, qstart, qend ); + tal2 = cutal( tal, tal_display_start, tstart, tend ); + +// fprintf( stderr, "qal2 = %s\n", qal2 ); +// fprintf( stderr, "tal2 = %s\n", tal2 ); + +// fprintf( stderr, "putting %d - %d, opt = %d\n", qmem, junban[count-1], opt ); + putlocalhom( qal2, tal2, localhomlist+junban[count-1], qstart, tstart, opt, overlapaa ); + } +// fprintf( stderr, "count = %d\n", count ); + return count; +} +int ReadFasta34m10_scoreonly_nucbk( FILE *fp, double *dis, int nin ) +{ + int count=0; + char b[B]; + char *pt; + int pos; + int opt; + double z, bits; + + count = 0; + while( !feof( fp ) ) + { + fgets( b, B-1, fp ); + if( !strncmp( "+===========+", b, 13 ) ) + { + pos = atoi( b+13 ); + + if( strchr( b, 'r' ) ) continue; + +// pt = strchr( b, ')' ) + 1; + pt = strchr( b, ']' ) + 1; + sscanf( pt, "%d %lf %lf", &opt, &bits, &z ); + dis[pos] += (double)opt; + count++; +#if 0 + fprintf( stderr, "b=%s\n", b ); + fprintf( stderr, "opt=%d\n", opt ); + fprintf( stderr, "pos=%d\n", pos ); + fprintf( stderr, "dis[pos]=%f\n", dis[pos] ); +#endif + + } + else if( 0 == strncmp( ">>><<<", b, 6 ) ) + { + break; + } + + } + if( !count ) return -1; + + return count; +} + +int ReadFasta34m10_scoreonly_nuc( FILE *fp, double *dis, int nin ) +{ + int count=0; + char b[B]; + char *pt; + int pos; + int opt; + double z, bits; + int c; + int *yonda; + + + yonda = AllocateIntVec( nin ); + for( c=0; c>>", b, 3 ) ) + { + for( c=0; c>><<<", b, 6 ) ) + { + break; + } + + } + + free( yonda ); + + if( !count ) return -1; + + return count; +} + +int ReadFasta34m10_scoreonly( FILE *fp, double *dis, int nin ) +{ + int count=0; + char b[B]; + char *pt; + int pos; + int opt; + double z, bits; + int c; + int *yonda; + + + yonda = AllocateIntVec( nin ); + for( c=0; c>>", b, 3 ) ) + { + for( c=0; c>><<<", b, 6 ) ) + { + break; + } + + } + + free( yonda ); + + if( !count ) return -1; + + return count; +} +int ReadFasta34( FILE *fp, double *dis, int nseq, char name[M][B], LocalHom *localhomlist ) +{ + int count=0; + char b[B]; + char *pt; + static int junban[M]; + int overlapaa; + int opt, qstart, qend, tstart, tend; + double z, bits; + + + count = 0; +#if 0 + for( i=0; i<10000000 && count>+==========+", b, 14 ) ) + { + break; + } + + } + if( !count ) return -1; + + count = 0; + while( !feof( fp ) ) + { + if( !strncmp(">>+==========+", b, 14 ) ) + { + junban[count] = atoi( b+14 ); + count++; + fgets( b, B-1, fp ); // initn: + pt = strstr( b, "opt: " ) + 5; + localhomlist[junban[count-1]].opt = atof( pt ); + fgets( b, B-1, fp ); // Smith-Waterman score + pt = strstr( b, "ungapped) in " ) + 13; + sscanf( pt, "%d", &overlapaa ); + fprintf( stderr, "pt = %s, overlapaa = %d\n", pt, overlapaa ); + pt = strstr( b, "overlap (" ) + 8; + sscanf( pt, "(%d-%d:%d-%d)", &qstart, &qend, &tstart, &tend ); + localhomlist[junban[count-1]].overlapaa = overlapaa; + localhomlist[junban[count-1]].start1 = qstart-1; + localhomlist[junban[count-1]].end1 = qend-1; + localhomlist[junban[count-1]].start2 = tstart-1; + localhomlist[junban[count-1]].end2 = tend-1; + } + fgets( b, B-1, fp ); + } + fprintf( stderr, "count = %d\n", count ); + return count; +} + +int ReadFasta3( FILE *fp, double *dis, int nseq, char name[M][B] ) +{ + int count=0; + char b[B]; + char *pt; + int junban[M]; + int initn, init1, opt; + double z; + + count = 0; +#if 0 + for( i=0; i<10000000 && count 0 ) + { +#if 0 /* /tmp/pre ¤Î´Ø·¸¤Ç¤Ï¤º¤·¤¿ */ + if( ferror( prep_g ) ) prep_g = fopen( "pre", "w" ); + if( !prep_g ) ErrorExit( "Cannot re-open pre." ); +#endif + rewind( prep_g ); + signalSM[STATUS] = IMA_KAITERU; +#if IODEBUG + if( force ) fprintf( stderr, "FINAL " ); +#endif + if( devide ) dvWrite( prep_g, nseq, name, nlen, aseq ); + else WriteGapFill( prep_g, nseq, name, nlen, aseq ); + /* + fprintf( prep_g, '\EOF' ); + */ + fflush( prep_g ); + if( force ) signalSM[STATUS] = OSHIMAI; + else signalSM[STATUS] = KAKIOWATTA; + value = 1; + signalSM[SEMAPHORE]++; +#if IODEBUG + fprintf( stderr, "signalSM[STATUS] = %c\n", signalSM[STATUS] ); +#endif + break; + } + else + { +#if IODEBUG + fprintf( stderr, "YONDERUKARA_AKIRAMERU\n" ); +#endif + value = 0; + signalSM[SEMAPHORE]++; + if( !force ) break; +#if IODEBUG + fprintf( stderr, "MATSU\n" ); +#endif + sleep( 1 ); + } + } + if( force && !value ) ErrorExit( "xced ga pre wo hanasanai \n" ); + return( value ); +#else + if( force ) + { + rewind( prep_g ); + writeData_pointer( prep_g, nseq, name, nlen, aseq ); + } +#endif + return( 0 ); +} + + +void readOtherOptions( int *ppidptr, int *fftThresholdptr, int *fftWinSizeptr ) +{ + if( calledByXced ) + { + FILE *fp = fopen( "pre", "r" ); + char b[B]; + if( !fp ) ErrorExit( "Cannot open pre.\n" ); + fgets( b, B-1, fp ); + sscanf( b, "%d %d %d", ppidptr, fftThresholdptr, fftWinSizeptr ); + fclose( fp ); +#if IODEBUG + fprintf( stderr, "b = %s\n", b ); + fprintf( stderr, "ppid = %d\n", ppid ); + fprintf( stderr, "fftThreshold = %d\n", fftThreshold ); + fprintf( stderr, "fftWinSize = %d\n", fftWinSize ); +#endif + } + else + { + *ppidptr = 0; + *fftThresholdptr = FFT_THRESHOLD; + if( dorp == 'd' ) + *fftWinSizeptr = FFT_WINSIZE_D; + else + *fftWinSizeptr = FFT_WINSIZE_P; + } +#if 0 + fprintf( stderr, "fftThresholdptr=%d\n", *fftThresholdptr ); + fprintf( stderr, "fftWinSizeptr=%d\n", *fftWinSizeptr ); +#endif +} + +void initSignalSM( void ) +{ +// int signalsmid; + +#if IODEBUG + if( ppid ) fprintf( stderr, "PID of xced = %d\n", ppid ); +#endif + if( !ppid ) + { + signalSM = NULL; + return; + } + +#if 0 + signalsmid = shmget( (key_t)ppid, 3, IPC_ALLOC | 0666 ); + if( signalsmid == -1 ) ErrorExit( "Cannot get Shared memory for signal.\n" ); + signalSM = shmat( signalsmid, 0, 0 ); + if( (int)signalSM == -1 ) ErrorExit( "Cannot attatch Shared Memory for signal!\n" ); + signalSM[STATUS] = IMA_KAITERU; + signalSM[SEMAPHORE] = 1; +#endif +} + +void initFiles( void ) +{ + char pname[100]; + if( ppid ) + sprintf( pname, "/tmp/pre.%d", ppid ); + else + sprintf( pname, "pre" ); + prep_g = fopen( pname, "w" ); + if( !prep_g ) ErrorExit( "Cannot open pre" ); + + trap_g = fopen( "trace", "w" ); + if( !trap_g ) ErrorExit( "cannot open trace" ); + fprintf( trap_g, "PID = %d\n", getpid() ); + fflush( trap_g ); +} + + +void WriteForFasta( FILE *fp, int locnjob, char name[][B], int nlen[M], char **aseq ) +{ + static char b[N]; + int i, j; + int nalen[M]; + + for( i=0; i%s\n", name[i] ); + for( j=0; j 0 ) + { + tmpptr1 = localhomtable[i][j].last; +// fprintf( stderr, "reallocating, localhomtable[%d][%d].nokori = %d\n", i, j, localhomtable[i][j].nokori ); + tmpptr1->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + tmpptr1 = tmpptr1->next; + tmpptr1->extended = -1; + tmpptr1->next = NULL; + localhomtable[i][j].last = tmpptr1; +// fprintf( stderr, "### i,j = %d,%d, nokori=%d\n", i, j, localhomtable[i][j].nokori ); + } + else + { + tmpptr1 = localhomtable[i]+j; +// fprintf( stderr, "### i,j = %d,%d, nokori=%d\n", i, j, localhomtable[i][j].nokori ); + } + + tmpptr1->start1 = start1; + tmpptr1->start2 = start2; + tmpptr1->end1 = end1; + tmpptr1->end2 = end2; +// tmpptr1->opt = ( opt / overlapaa + 0.00 ) / 5.8 * 600; +// tmpptr1->opt = opt; + tmpptr1->opt = ( opt + 0.00 ) / 5.8 * 600; + tmpptr1->overlapaa = overlapaa; + tmpptr1->korh = *infor; + } +// else + { + if( localhomtable[j][i].nokori++ > 0 ) + { + tmpptr2 = localhomtable[j][i].last; + tmpptr2->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + tmpptr2 = tmpptr2->next; + tmpptr2->extended = -1; + tmpptr2->next = NULL; + localhomtable[j][i].last = tmpptr2; +// fprintf( stderr, "### i,j = %d,%d, nokori=%d\n", j, i, localhomtable[j][i].nokori ); + } + else + { + tmpptr2 = localhomtable[j]+i; +// fprintf( stderr, "### i,j = %d,%d, nokori=%d\n", j, i, localhomtable[j][i].nokori ); + } + + tmpptr2->start2 = start1; + tmpptr2->start1 = start2; + tmpptr2->end2 = end1; + tmpptr2->end1 = end2; +// tmpptr2->opt = ( opt / overlapaa + 0.00 ) / 5.8 * 600; +// tmpptr2->opt = opt; + tmpptr2->opt = ( opt + 0.00 ) / 5.8 * 600; + tmpptr2->overlapaa = overlapaa; + tmpptr2->korh = *infor; + +// fprintf( stderr, "i=%d, j=%d, st1=%d, en1=%d, opt = %f\n", i, j, tmpptr1->start1, tmpptr1->end1, opt ); + } + + } +} +void readlocalhomtable( FILE*fp, int njob, LocalHom **localhomtable, char *kozoarivec ) +{ + double opt; + static char buff[B]; + char infor[100]; + int i, j, overlapaa, start1, end1, start2, end2; + int **nlocalhom = NULL; + LocalHom *tmpptr1=NULL, *tmpptr2=NULL; // by D.Mathog, a guess + + nlocalhom = AllocateIntMtx( njob, njob ); + for( i=0; i 0 ) + { +// fprintf( stderr, "reallocating, nlocalhom[%d][%d] = %d\n", i, j, nlocalhom[i][j] ); + tmpptr1->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + tmpptr1 = tmpptr1->next; + tmpptr1->next = NULL; + } + else + { + tmpptr1 = localhomtable[i]+j; +// fprintf( stderr, "nlocalhom[%d][%d] = %d\n", i, j, nlocalhom[i][j] ); + } + + tmpptr1->start1 = start1; + tmpptr1->start2 = start2; + tmpptr1->end1 = end1; + tmpptr1->end2 = end2; +// tmpptr1->opt = ( opt / overlapaa + 0.00 ) / 5.8 * 600; +// tmpptr1->opt = opt; + tmpptr1->opt = ( opt + 0.00 ) / 5.8 * 600; + tmpptr1->overlapaa = overlapaa; + tmpptr1->korh = *infor; + +// fprintf( stderr, "i=%d, j=%d, opt = %f\n", i, j, opt ); + } +// else + { + if( nlocalhom[j][i]++ > 0 ) + { + tmpptr2->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + tmpptr2 = tmpptr2->next; + tmpptr2->next = NULL; + } + else + tmpptr2 = localhomtable[j]+i; + + tmpptr2->start2 = start1; + tmpptr2->start1 = start2; + tmpptr2->end2 = end1; + tmpptr2->end1 = end2; +// tmpptr2->opt = ( opt / overlapaa + 0.00 ) / 5.8 * 600; +// tmpptr2->opt = opt; + tmpptr2->opt = ( opt + 0.00 ) / 5.8 * 600; + tmpptr2->overlapaa = overlapaa; + tmpptr2->korh = *infor; + } + + } + FreeIntMtx( nlocalhom ); +} + +void outlocalhom( LocalHom **localhom, int nseq ) +{ + int i, j; + LocalHom *tmpptr; + for( i=0; istart1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->importance, tmpptr->opt ); + } + while( (tmpptr=tmpptr->next) ); + } +} + +void outlocalhompt( LocalHom ***localhom, int n1, int n2 ) +{ + int i, j; + LocalHom *tmpptr; + for( i=0; istart1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->importance, tmpptr->opt, tmpptr->wimportance ); + } + while( (tmpptr=tmpptr->next) ); + } +} + +void FreeLocalHomTable( LocalHom **localhomtable, int n ) +{ + int i, j; + LocalHom *ppp, *tmpptr; + for( i=0; inext; + for( ; tmpptr; tmpptr=ppp ) + { +#if DEBUG + fprintf( stderr, "i=%d, j=%d\n", i, j ); +#endif + ppp = tmpptr->next; + if( tmpptr!=localhomtable[i]+j ) + { +#if DEBUG + fprintf( stderr, "freeing %p\n", tmpptr ); +#endif + free( tmpptr ); + } + } + } +#if DEBUG + fprintf( stderr, "freeing localhomtable[%d]\n", i ); +#endif + free( localhomtable[i] ); + } +#if DEBUG + fprintf( stderr, "freeing localhomtable\n" ); +#endif + free( localhomtable ); +#if DEBUG + fprintf( stderr, "freed\n" ); +#endif +} + +char *progName( char *str ) +{ + char *value; + if( ( value = strrchr( str, '/' ) ) != NULL ) + return( value+1 ); + else + return( str ); +} + +static void tabtospace( char *str ) +{ + char *p; +// fprintf( stderr, "before = %s\n", str ); + while( NULL != ( p = strchr( str , '\t' ) ) ) + { + *p = ' '; + } +// fprintf( stderr, "after = %s\n", str ); +} + +static char *extractfirstword( char *str ) +{ + char *val = str; + + tabtospace( str ); + while( *str ) + { + if( val == str && *str == ' ' ) + { + val++; str++; + } + else if( *str != ' ' ) + { + str++; + } + else if( *str == ' ' ) + { + *str = 0; + } + } + return( val ); +} + +void phylipout_pointer( FILE *fp, int nseq, int maxlen, char **seq, char **name, int *order ) +{ + int pos, pos2, j; + pos = 0; + + fprintf( fp, " %d %d\n", nseq, maxlen ); + + while( pos < maxlen ) + { + for( j=0; j%s\n", name[k]+1 ); + for( j=0; j%s\n", name[k]+1 ); + for( j=0; j 19 ) break; + } + + for( i=0; i<20; i++ ) raw[20][i] = -1.0; + while( !feof( mf ) ) + { + fgets( line, 999, mf ); + if( line[0] == 'f' ) + { +// fprintf( stderr, "line = %s\n", line ); + ptr1 = line; + for( j=0; j<20; j++ ) + { + while( !isdigit( *ptr1 ) && *ptr1 != '-' && *ptr1 != '.' ) + ptr1++; + + raw[20][j] = atof( ptr1 ); +// fprintf( stderr, "raw[20][]=%f, %c %d\n", raw[20][j], inorder[i], j ); + ptr1 = strchr( ptr1, ' ' ); + if( ptr1 == NULL && j<19) showaamtxexample(); + } + break; + } + } + + k = 0; + for( i=0; i<20; i++ ) + { + for( j=0; j<=i; j++ ) + { + if( i != j ) + { + ii = MAX( map[i], map[j] ); + jj = MIN( map[i], map[j] ); + } + else ii = jj = map[i]; + val[k++] = raw[ii][jj]; +// fprintf( stderr, "%c-%c, %f\n", aaorder[i], aaorder[j], val[k-1] ); + } + } + for( i=0; i<20; i++ ) val[400+i] = raw[20][map[i]]; + + fprintf( stderr, "inorder = %s\n", inorder ); + fclose( mf ); + free( inorder ); + free( line ); + FreeDoubleMtx( raw ); + free( map ); + return( val ); +} + + +void readmccaskill( FILE *fp, RNApair **pairprob, int length ) +{ + char gett[1000]; + int *pairnum; + int i; + int left, right; + float prob; + int c; + + pairnum = (int *)calloc( length, sizeof( int ) ); + for( i=0; i' ) + { + break; + } + fgets( gett, 999, fp ); +// fprintf( stderr, "gett = %s\n", gett ); + sscanf( gett, "%d %d %f", &left, &right, &prob ); + + if( left >= length || right >= length ) + { + fprintf( stderr, "format error in hat4\n" ); + exit( 1 ); + } + + if( prob < 0.01 ) continue; // 080607, mafft ni dake eikyou + + if( left != right && prob > 0.0 ) + { + pairprob[left] = (RNApair *)realloc( pairprob[left], (pairnum[left]+2) * sizeof( RNApair ) ); + pairprob[left][pairnum[left]].bestscore = prob; + pairprob[left][pairnum[left]].bestpos = right; + pairnum[left]++; + pairprob[left][pairnum[left]].bestscore = -1.0; + pairprob[left][pairnum[left]].bestpos = -1; +// fprintf( stderr, "%d-%d, %f\n", left, right, prob ); + + pairprob[right] = (RNApair *)realloc( pairprob[right], (pairnum[right]+2) * sizeof( RNApair ) ); + pairprob[right][pairnum[right]].bestscore = prob; + pairprob[right][pairnum[right]].bestpos = left; + pairnum[right]++; + pairprob[right][pairnum[right]].bestscore = -1.0; + pairprob[right][pairnum[right]].bestpos = -1; +// fprintf( stderr, "%d-%d, %f\n", right, left, prob ); + } + } + free( pairnum ); +} + +void readpairfoldalign( FILE *fp, char *s1, char *s2, char *aln1, char *aln2, int q1, int q2, int *of1, int *of2, int sumlen ) +{ + char gett[1000]; + int *maptoseq1; + int *maptoseq2; + char dumc; + int dumi; + char sinseq[100], sinaln[100]; + int posinseq, posinaln; + int alnlen; + int i; + int pos1, pos2; + char *pa1, *pa2; + char qstr[1000]; + + *of1 = -1; + *of2 = -1; + + maptoseq1 = AllocateIntVec( sumlen+1 ); + maptoseq2 = AllocateIntVec( sumlen+1 ); + + posinaln = 0; // foldalign ga alingment wo kaesanaitok no tame. + + while( !feof( fp ) ) + { + fgets( gett, 999, fp ); + if( !strncmp( gett, "; ALIGNING", 10 ) ) break; + } + sprintf( qstr, "; ALIGNING %d against %d\n", q1+1, q2+1 ); + if( strcmp( gett, qstr ) ) + { + fprintf( stderr, "Error in FOLDALIGN\n" ); + fprintf( stderr, "qstr = %s, but gett = %s\n", qstr, gett ); + exit( 1 ); + } + + while( !feof( fp ) ) + { + fgets( gett, 999, fp ); + if( !strncmp( gett, "; --------", 10 ) ) break; + } + + + while( !feof( fp ) ) + { + fgets( gett, 999, fp ); + if( !strncmp( gett, "; ********", 10 ) ) break; +// fprintf( stderr, "gett = %s\n", gett ); + sscanf( gett, "%c %c %s %s %d %d", &dumc, &dumc, sinseq, sinaln, &dumi, &dumi ); + posinaln = atoi( sinaln ); + posinseq = atoi( sinseq ); +// fprintf( stderr, "posinseq = %d\n", posinseq ); +// fprintf( stderr, "posinaln = %d\n", posinaln ); + maptoseq1[posinaln-1] = posinseq-1; + } + alnlen = posinaln; + + while( !feof( fp ) ) + { + fgets( gett, 999, fp ); + if( !strncmp( gett, "; --------", 10 ) ) break; + } + + while( !feof( fp ) ) + { + fgets( gett, 999, fp ); + if( !strncmp( gett, "; ********", 10 ) ) break; +// fprintf( stderr, "gett = %s\n", gett ); + sscanf( gett, "%c %c %s %s %d %d", &dumc, &dumc, sinseq, sinaln, &dumi, &dumi ); + posinaln = atof( sinaln ); + posinseq = atof( sinseq ); +// fprintf( stderr, "posinseq = %d\n", posinseq ); +// fprintf( stderr, "posinaln = %d\n", posinaln ); + maptoseq2[posinaln-1] = posinseq-1; + } + if( alnlen != posinaln ) + { + fprintf( stderr, "Error in foldalign?\n" ); + exit( 1 ); + } + + pa1 = aln1; + pa2 = aln2; + for( i=0; i -1 ) + *pa1++ = s1[pos1]; + else + *pa1++ = '-'; + + if( pos2 > -1 ) + *pa2++ = s2[pos2]; + else + *pa2++ = '-'; + } + *pa1 = 0; + *pa2 = 0; + + *of1 = 0; + for( i=0; i -1 ) break; + } + *of2 = 0; + for( i=0; i -1 ) break; + } + +// fprintf( stderr, "*of1=%d, aln1 = :%s:\n", *of1, aln1 ); +// fprintf( stderr, "*of2=%d, aln2 = :%s:\n", *of2, aln2 ); + + free( maptoseq1 ); + free( maptoseq2 ); +} diff --git a/binaries/src/mafft/core/iteration.c b/binaries/src/mafft/core/iteration.c new file mode 100644 index 0000000..b24875b --- /dev/null +++ b/binaries/src/mafft/core/iteration.c @@ -0,0 +1,412 @@ + /* iteration ( algorithm C ) */ +#include "mltaln.h" + +#define DEBUG 0 + +static void Writeoptions( FILE *fp ) +{ + if( scoremtx == 1 ) + fprintf( fp, "Dayhoff( ... )\n" ); + else if( scoremtx == -1 ) + fprintf( fp, "DNA\n" ); + else if( scoremtx == 2 ) + fprintf( fp, "Miyata-Yasunaga\n" ); + else + fprintf( fp, "JTT %dPAM\n", pamN ); + + if( scoremtx == 0 ) + fprintf( fp, "Gap Penalty = %+d, %+d\n", penalty, offset ); + else + fprintf( fp, "Gap Penalty = %+d\n", penalty ); + + fprintf( fp, "marginal score to search : best - %f\n", cut ); + if( scmtd == 3 ) + fprintf( fp, "score of rnd or sco\n" ); + else if( scmtd == 4 ) + fprintf( fp, "score = sigma( score for a pair of homologous amino acids ) / ( number of amino acids pairs )\n" ); + else if( scmtd == 5 ) + fprintf( fp, "score : SP\n" ); + if( mix ) + fprintf( fp, "?\n" ); + else + { + if( weight == 2 ) + fprintf( fp, "weighted, geta2 = %f\n", geta2 ); + else if( weight == 3 ) + { + if( scmtd == 4 ) + fprintf( fp, "reversely weighted in function 'align', unweighted in function 'score_calc'\n" ); + else + fprintf( fp, "weighted like ClustalW," ); + } + else + fprintf( fp, "unweighted\n" ); + } + if( weight && utree ) + { + fprintf( fp, "using tree defined by the file hat2 with simplified UPG method\n" ); + } + if( weight && !utree ) + fprintf( fp, "using temporary tree by simplified UPG method\n" ); + fprintf( fp, "Algorithm %c\n", alg ); +} + + + + +char **align0( float *wm, char **aseq, char *seq, double effarr[M], int icyc, int ex ) +{ + char **result; + + if( alg == 'B' ) + { + ErrorExit( "Sorry!" ); + /* + if( outgap == 0 ) + { + result = alignm1_o( wm, aseq, seq, scmx, effarr, icyc, ex ); + } + if( outgap == 1 ) + { + result = alignm1( wm, aseq, seq, scmx, effarr, icyc, ex ); + } + */ + } + else if( alg == 'C' ) + { + result = Calignm1( wm, aseq, seq, effarr, icyc, ex ); + } + return( result ); +} + + +double score_m_1_0( char **aseq, int locnjob, int s, double **eff, double effarr[M] ) +{ + double x; + + if( alg == 'B' ) + { + ErrorExit( "Sorry!" ); + } + if( alg == 'C' ) + { + x = Cscore_m_1( aseq, locnjob, s, eff ); + } + fprintf( stderr, "in score_m_1_0 %f\n", x ); + return( x ); +} + +int iteration( int locnjob, char name[M][B], int nlen[M], char **aseq, char **bseq, int ***topol, double **len, double **eff ) +{ + double tscore, mscore; + int identity; + static char *mseq1, **mseq2 = NULL; + static char **result; + int i, l; + static double effarr[M]; + int s; + int sss[2]; + char ou; + int alloclen; + int resultlen; + int nlenmax0 = nlenmax; + FILE *prep; + char sai[M]; + char sai1[M]; + char sai2[M]; +#if 0 + double his[2][M][MAXITERATION/locnjob+1]; +#else + double ***his; +#endif + int cyc[2]; + char shindou = 0; + float wm; + int returnvalue; + + for( i=0; i nlenmax ) + nlenmax = strlen( aseq[0] ); + + /* + s = ( int )( rnd() * locnjob ); + s++; + if( s == locnjob ) s = 0; + ou = 0; + */ + if( ou == 0 ) + { + ou = 1; + s = sss[0]; + /* + sss[0]++; + if( sss[0] == locnjob ) + { + sss[0] = 0; + cyc[0]++; + } + */ + sss[0]--; + if( sss[0] == -1 ) + { + sss[0] = locnjob-1; + cyc[0]++; + } + } + else + { + ou = 0; + s = sss[1]; + sss[1]++; + if( sss[1] == locnjob ) + { + sss[1] = 0; + cyc[1]++; + } + } + fprintf( trap_g, "%d ", weight ); + +/* + for( i=0, count=0; i alloclen ) + { + if( resultlen > nlenmax0*3 || resultlen > N ) + { + fprintf(stderr, "Error in main1\n"); + exit( 1 ); + } + FreeTmpSeqs( mseq2, mseq1 ); + alloclen = strlen( result[0] ) * 2.0; + fprintf( stderr, "\n\ntrying to allocate TmpSeqs\n\n" ); + AllocateTmpSeqs( &mseq2, &mseq1, alloclen ); + } + for( i=0; i=s; i-- ) strcpy( mseq2[i+1], mseq2[i] ); + strcpy( mseq2[s], mseq1 ); + if( checkC ) + { + tmpscore1= score_m_1_0( mseq2, locnjob, s, eff, effarr ); + fprintf( stderr, "pick up %d, before ALIGNM1 score_m_1_0 = %f\n", s+1, tmpscore ); + fprintf( stderr, "pick up %d, after ALIGNM1 score_m_1_0 = %f\n", s+1, tmpscore1 ); + if( tmpscore1 < tmpscore ) + { + fprintf( stderr, "\7" ); + fprintf( trap_g, ">>>>>>>n\n" ); + } + if( fabs( wm - tmpscore1 ) / wm > 0.001 ) + { + fprintf( stderr, "\7sorry\n" ); + exit( 1 ); + } + } + + identity = !strcmp( mseq2[s], aseq[s] ); + if( s == locnjob - 1 ) ss = 0; else ss=s+1; + + identity *= !strcmp( mseq2[ss], aseq[ss] ); + + if( !identity ) + { + tmpscore = score_calc0( mseq2, locnjob, eff, s ); + } + else tmpscore = tscore; + + if( disp ) + { + fprintf( stderr, "% 3d % 3d / the rest \n", l+1, s+1 ); + display( mseq2, locnjob ); + } + fprintf( stderr, "% 3d % 3d / the rest \n", l+1, s+1 ); + fprintf( stderr, "score = %f mscore = %f ", tmpscore, mscore ); + + fprintf( trap_g, "%#4d %#4d / the rest ", l+1, s+1 ); + fprintf( trap_g, "score = %f mscore = %f ", tmpscore, mscore ); + + if( identity ) + { + fprintf( stderr, "( identical )\n" ); + fprintf( trap_g, "( identical )\n" ); + sai[s] = 2; + } + + else if( tmpscore > mscore - cut ) + { + fprintf( stderr, "accepted\n" ); + fprintf( trap_g, "accepted\n" ); + for( i=0; i mscore ) + { + for( i=0; i %f\n", mscore ); + strcpy( sai, sai1 ); /* kokoka ? */ +#if 0 + if( !tbitr && !tbweight ) + { prep = fopen( "best", "w" ); + Write( prep, locnjob, name, nlen, bseq ); + fclose( prep ); + } +#endif + } + } + + else + { + if( tmpscore == tscore ) + { + fprintf( stderr, "occational coincidence \n" ); + fprintf( trap_g, "occational coincidence\n" ); + } + else + { + fprintf( stderr, "rejected\n" ); + fprintf( trap_g, "rejected\n" ); + } + for( i=0; i0; i-- ) + { + if( tmpscore == his[ou][s][i] ) + { + shindou = 1; + break; + } + } + fprintf( stderr, "\n" ); + if( shindou == 1 ) + { + returnvalue = -1; + fprintf( trap_g, "oscillating\n" ); + break; + } + } + if( l == MAXITERATION ) returnvalue = -2; + FreeDoubleCub( his ); + return( returnvalue ); +} + diff --git a/binaries/src/mafft/core/mafft-distance.c b/binaries/src/mafft/core/mafft-distance.c new file mode 100644 index 0000000..e9e66ce --- /dev/null +++ b/binaries/src/mafft/core/mafft-distance.c @@ -0,0 +1,401 @@ +#include "mltaln.h" +#include "mtxutl.h" + +#define DEBUG 0 +#define TEST 0 + +#define END_OF_VEC -1 + +static int maxl; +static int tsize; +static char outputformat; +static float lenfaca, lenfacb, lenfacc, lenfacd; +#define PLENFACA 0.01 +#define PLENFACB 10000 +#define PLENFACC 10000 +#define PLENFACD 0.1 +#define DLENFACA 0.01 +#define DLENFACB 2500 +#define DLENFACC 2500 +#define DLENFACD 0.1 + +void arguments( int argc, char *argv[] ) +{ + int c; + + inputfile = NULL; + outputformat = 's'; + scoremtx = 1; + nblosum = 62; + dorp = NOTSPECIFIED; + alg = 'X'; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'p': + outputformat = 'p'; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( inputfile == NULL ) + { + argc--; + inputfile = *argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + } + if( argc != 0 ) + { + fprintf( stderr, "Usage: mafft-distance [-PD] [-i inputfile] inputfile > outputfile\n" ); + exit( 1 ); + } +} + +void seq_grp_nuc( int *grp, char *seq ) +{ + int tmp; + int *grpbk = grp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 4 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\r", *(seq-1) ); + } + *grp = END_OF_VEC; + if( grp - grpbk < 6 ) + { + fprintf( stderr, "\n\nWARNING: Too short.\nPlease also consider use mafft-ginsi, mafft-linsi or mafft-ginsi.\n\n\n" ); +// exit( 1 ); + *grpbk = -1; + } +} + +void seq_grp( int *grp, char *seq ) +{ + int tmp; + int *grpbk = grp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 6 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\r", *(seq-1) ); + } + *grp = END_OF_VEC; + if( grp - grpbk < 6 ) + { + fprintf( stderr, "\n\nWARNING: Too short.\nPlease also consider use mafft-ginsi, mafft-linsi or mafft-ginsi.\n\n\n" ); +// exit( 1 ); + *grpbk = -1; + } +} + +void makecompositiontable_p( short *table, int *pointt ) +{ + int point; + + while( ( point = *pointt++ ) != END_OF_VEC ) + table[point]++; +} + +int commonsextet_p( short *table, int *pointt ) +{ + int value = 0; + short tmp; + int point; + static short *memo = NULL; + static int *ct = NULL; + static int *cp; + + if( *pointt == -1 ) + return( 0 ); + + if( !memo ) + { + memo = (short *)calloc( tsize, sizeof( short ) ); + if( !memo ) ErrorExit( "Cannot allocate memo\n" ); + ct = (int *)calloc( MIN( maxl, tsize)+1, sizeof( int ) ); + if( !ct ) ErrorExit( "Cannot allocate memo\n" ); + } + + cp = ct; + while( ( point = *pointt++ ) != END_OF_VEC ) + { + tmp = memo[point]++; + if( tmp < table[point] ) + value++; + if( tmp == 0 ) *cp++ = point; +// fprintf( stderr, "cp - ct = %d (tsize = %d)\n", cp - ct, tsize ); + } + *cp = END_OF_VEC; + + cp = ct; + while( *cp != END_OF_VEC ) + memo[*cp++] = 0; + + return( value ); +} + +void makepointtable_nuc( int *pointt, int *n ) +{ + int point; + register int *p; + + if( *n == -1 ) + { + *pointt = -1; + return; + } + + p = n; + point = *n++ * 1024; + point += *n++ * 256; + point += *n++ * 64; + point += *n++ * 16; + point += *n++ * 4; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 1024; + point *= 4; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +void makepointtable( int *pointt, int *n ) +{ + int point; + register int *p; + + if( *n == -1 ) + { + *pointt = -1; + return; + } + + p = n; + point = *n++ * 7776; + point += *n++ * 1296; + point += *n++ * 216; + point += *n++ * 36; + point += *n++ * 6; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 7776; + point *= 6; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +int main( int argc, char **argv ) +{ + int i, j, initj; + FILE *infp; + char **seq; + int *grpseq; + char *tmpseq; + int **pointt; + static char **name; + static int *nlen; + double *mtxself; + float score; + static short *table1; + float longer, shorter; + float lenfac; + float bunbo; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + +#if 0 + PreRead( stdin, &njob, &nlenmax ); +#else + getnumlen( infp ); +#endif + rewind( infp ); + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + tmpseq = AllocateCharVec( nlenmax+1 ); + seq = AllocateCharMtx( njob, nlenmax+1 ); + grpseq = AllocateIntVec( nlenmax+1 ); + pointt = AllocateIntMtx( njob, nlenmax+1 ); + mtxself = AllocateDoubleVec( njob ); + pamN = NOTSPECIFIED; + name = AllocateCharMtx( njob, B ); + nlen = AllocateIntVec( njob ); + +#if 0 + FRead( infp, name, nlen, seq ); +#else + readData_pointer( infp, name, nlen, seq ); +#endif + + fclose( infp ); + + constants( njob, seq ); + + if( dorp == 'd' ) tsize = (int)pow( 4, 6 ); + else tsize = (int)pow( 6, 6 ); + + if( dorp == 'd' ) + { + lenfaca = DLENFACA; + lenfacb = DLENFACB; + lenfacc = DLENFACC; + lenfacd = DLENFACD; + } + else + { + lenfaca = PLENFACA; + lenfacb = PLENFACB; + lenfacc = PLENFACC; + lenfacd = PLENFACD; + } + + maxl = 0; + for( i=0; i maxl ) maxl = nlen[i]; + if( dorp == 'd' ) /* nuc */ + { + seq_grp_nuc( grpseq, tmpseq ); + makepointtable_nuc( pointt[i], grpseq ); + } + else /* amino */ + { + seq_grp( grpseq, tmpseq ); + makepointtable( pointt[i], grpseq ); + } + } + fprintf( stderr, "\nCalculating i-i scores ... " ); + for( i=0; i nlen[j] ) + { + longer=(float)nlen[i]; + shorter=(float)nlen[j]; + } + else + { + longer=(float)nlen[j]; + shorter=(float)nlen[i]; + } +// lenfac = 3.0 / ( LENFACA + LENFACB / ( longer + LENFACC ) + shorter / longer * LENFACD ); + lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); +// lenfac = 1.0; +// fprintf( stderr, "lenfac = %f (%.0f,%.0f)\n", lenfac, longer, shorter ); + score = commonsextet_p( table1, pointt[j] ); + bunbo = MIN( mtxself[i], mtxself[j] ); + if( outputformat == 'p' ) + { + if( bunbo == 0.0 ) + fprintf( stdout, " %8.6f", 1.0 ); + else + fprintf( stdout, " %8.6f", ( 1.0 - score / bunbo ) * lenfac ); + if( j % 7 == 6 ) fprintf( stdout, "\n" ); + } + else + { + if( bunbo == 0.0 ) + fprintf( stdout, "%d-%d d=%4.2f l=%d,%d\n", i+1, j+1, 1.0, nlen[i], nlen[j] ); + else + fprintf( stdout, "%d-%d d=%4.2f l=%d,%d\n", i+1, j+1, ( 1.0 - score / bunbo ) * lenfac, nlen[i], nlen[j] ); + } +// fprintf( stderr, "##### mtx = %f, mtx[i][0]=%f, mtx[j][0]=%f, bunbo=%f\n", mtx[i][j-i], mtx[i][0], mtx[j][0], bunbo ); +// score = (double)commonsextet_p( table1, pointt[j] ); +// fprintf( stdout, "%d-%d d=%4.2f l=%d,%d\n", i+1, j+1, ( 1.0 - score / MIN( mtxself[i], mtxself[j] ) ) * 3, nlen[i], nlen[j] ); + + + } + free( table1 ); + } + + fprintf( stderr, "\n" ); + if( outputformat == 'p' ) fprintf( stdout, "\n" ); + SHOWVERSION; + exit( 0 ); +} diff --git a/binaries/src/mafft/core/mafft-homologs.1 b/binaries/src/mafft/core/mafft-homologs.1 new file mode 100644 index 0000000..a9c9682 --- /dev/null +++ b/binaries/src/mafft/core/mafft-homologs.1 @@ -0,0 +1,131 @@ +.\" Title: MAFFT-HOMOLOGS +.\" Author: Kazutaka Katoh +.\" Generator: DocBook XSL Stylesheets v1.72.0 +.\" Date: 2007-08-14 +.\" Manual: Mafft Manual +.\" Source: mafft-homologs 2.1 +.\" +.TH "MAFFT\-HOMOLOGS" "1" "2007\-06\-09" "mafft\-homologs 2.1" "Mafft Manual" +.\" disable hyphenation +.nh +.\" disable justification (adjust text to left margin only) +.ad l +.SH "NAME" +.RS 0 +mafft\-homologs \- aligns sequences together with homologues automatically collected from SwissProt via NCBI BLAST +.RE +.SH "SYNOPSIS" +.RS 0 +\fBmafft\-homologs\fR [\fBoptions\fR] \fIinput\fR [>\ \fIoutput\fR] +.RE +.SH "DESCRIPTION" +.RS 0 +The accuracy of an alignment of a few distantly related sequences is considerably improved when being aligned together with their close homologs. The reason for the improvement is probably the same as that for PSI\-BLAST. That is, the positions of highly conserved residues, those with many gaps and other additional information is brought by close homologs. According to Katoh et al. (2005), the improvement by adding close homologs is 10% or so, which is comparable to the improvement by incorporating structural information of a pair of sequences. Mafft\-homologs in a mafft server works like this: +.sp +.RS 4 +\h'-04' 1.\h'+02'Collect a number (50 by default) of close homologs (E=1e\-10 by default) of the input sequences. +.RE +.sp +.RS 4 +\h'-04' 2.\h'+02'Align the input sequences and homologs all together using the L\-INS\-i strategy. +.RE +.sp +.RS 4 +\h'-04' 3.\h'+02'Remove the homologs. +.RE +.RE +.SH "OPTIONS" +.RS 0 +.PP +\fB\-a\fR \fI\fIn\fR\fR +.RS 4 +The number of collected sequences (default: 50). +.RE +.PP +\fB\-e\fR \fI\fIn\fR\fR +.RS 4 +Threshold value (default: 1e\-10). +.RE +.PP +\fB\-o\fR \fI\fIxxx\fR\fR +.RS 4 +Options for mafft (default: " \-\-op 1.53 \-\-ep 0.123 \-\-maxiterate 1000 --localpair --reorder"). +.RE +.PP +\fB\-l\fR +.RS 4 +Locally carries out BLAST searches instead of NCBI BLAST (requires locally installed BLAST and a database). +.RE +.PP +\fB\-f\fR +.RS 4 +Outputs collected homologues also (default: off). +.RE +.PP +\fB\-w\fR +.RS 4 +entire sequences are subjected to BLAST search (default: well\-aligned region only) +.RE +.RE +.SH "REQUIREMENTS" +.RS 0 +.PP +MAFFT version > 5.58. +.PP +Either of +.RS 4 +.PP +lynx (when remote BLAST server is used) +.PP +BLAST and a protein sequence database (when local BLAST is used) +.RE +.RE +.SH "REFERENCES" +.RS 0 +.PP +Katoh, Kuma, Toh and Miyata (Nucleic Acids Res. 33:511\-518, 2005) MAFFT version 5: improvement in accuracy of multiple sequence alignment. +.RE +.SH "SEE ALSO" +.RS 0 +.PP +\fBmafft\fR(1) +.RE +.SH "AUTHORS" +.RS 0 +.PP +\fBKazutaka Katoh\fR <\&katoh_at_bioreg.kyushu\-u.ac.jp.\&> +.sp -1n +.IP "" 4 +Wrote Mafft. +.PP +\fBCharles Plessy\fR <\&charles\-debian\-nospam@plessy.org\&> +.sp -1n +.IP "" 4 +Wrote this manpage in DocBook XML for the Debian distribution, using Mafft's homepage as a template. +.RE +.SH "COPYRIGHT" +.RS 0 +Copyright \(co 2002\-2007 Kazutaka Katoh (mafft) +.br +Copyright \(co 2007 Charles Plessy (this manpage) +.br +.PP +Mafft and its manpage are offered under the following conditions: +.PP +Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: +.sp +.RS 4 +\h'-04' 1.\h'+02'Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. +.RE +.sp +.RS 4 +\h'-04' 2.\h'+02'Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. +.RE +.sp +.RS 4 +\h'-04' 3.\h'+02'The name of the author may not be used to endorse or promote products derived from this software without specific prior written permission. +.RE +.PP +THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +.br +.RE diff --git a/binaries/src/mafft/core/mafft-homologs.tmpl b/binaries/src/mafft/core/mafft-homologs.tmpl new file mode 100644 index 0000000..c06743c --- /dev/null +++ b/binaries/src/mafft/core/mafft-homologs.tmpl @@ -0,0 +1,374 @@ +#!/usr/bin/env ruby + +localdb = "sp" +# database name from which homologues are collected +# by locally installed blast. Leave this if you do +# not use the '-l' option. + +mafftpath = "_BINDIR/mafft" +# path of mafft. "/usr/local/bin/mafft" +# if mafft is in your command path, "mafft" is ok. + +blastpath = "blastall" +# path of blastall. +# if blastall is in your command path, "blastall" is ok. + +# mafft-homologs.rb v. 2.1 aligns sequences together with homologues +# automatically collected from SwissProt via NCBI BLAST. +# +# mafft > 5.58 is required +# +# Usage: +# mafft-homologs.rb [options] input > output +# Options: +# -a # the number of collected sequences (default: 50) +# -e # threshold value (default: 1e-10) +# -o "xxx" options for mafft +# (default: " --op 1.53 --ep 0.123 --maxiterate 1000") +# -l locally carries out blast searches instead of NCBI blast +# (requires locally installed blast and a database) +# -f outputs collected homologues also (default: off) +# -w entire sequences are subjected to BLAST search +# (default: well-aligned region only) + +require 'getopts' +require 'tempfile' + +# mktemp +GC.disable +temp_vf = Tempfile.new("_vf").path +temp_if = Tempfile.new("_if").path +temp_pf = Tempfile.new("_pf").path +temp_af = Tempfile.new("_af").path +temp_qf = Tempfile.new("_qf").path +temp_bf = Tempfile.new("_bf").path +temp_rid = Tempfile.new("_rid").path +temp_res = Tempfile.new("_res").path + + +system( mafftpath + " --help > #{temp_vf} 2>&1" ) +pfp = File.open( "#{temp_vf}", 'r' ) +while pfp.gets + break if $_ =~ /MAFFT v/ +end +pfp.close +if( $_ ) then + mafftversion = sub( /^\D*/, "" ).split(" ").slice(0).strip.to_s +else + mafftversion = "0" +end +if( mafftversion < "5.58" ) then + puts "" + puts "======================================================" + puts "Install new mafft (v. >= 5.58)" + puts "======================================================" + puts "" + exit +end + +srand ( 0 ) + +def readfasta( fp, name, seq ) + nseq = 0 + tmpseq = "" + while fp.gets + if $_ =~ /^>/ then + name.push( $_.sub(/>/,"").strip ) + seq.push( tmpseq ) if nseq > 0 + nseq += 1 + tmpseq = "" + else + tmpseq += $_.strip + end + end + seq.push( tmpseq ) + return nseq +end + +nadd = 50 +eval = 1e-10 +local = 0 +fullout = 0 +entiresearch = 0 +corewin = 50 +corethr = 0.3 +mafftopt = " --op 1.53 --ep 0.123 --localpair --maxiterate 1000 --reorder " +if getopts( "s", "f", "w", "l", "h", "e:", "a:", "o:", "c:", "d:" ) == nil || ARGV.length == 0 || $OPT_h then + puts "Usage: #{$0} [-h -l -e# -a# -o\"[options for mafft]\"] input_file" + exit +end + +if $OPT_c then + corewin = $OPT_c.to_i +end +if $OPT_d then + corethr = $OPT_d.to_f +end +if $OPT_w + entiresearch = 1 +end +if $OPT_f + fullout = 1 +end +if $OPT_s + fullout = 0 +end +if $OPT_l + local = 1 +end +if $OPT_e then + eval = $OPT_e.to_f +end +if $OPT_a then + nadd = $OPT_a.to_i +end +if $OPT_o then + mafftopt += " " + $OPT_o + " " +end + +system "cat " + ARGV.to_s + " > #{temp_if}" +ar = mafftopt.split(" ") +nar = ar.length +for i in 0..(nar-1) + if ar[i] == "--seed" then + system "cat #{ar[i+1]} >> #{temp_if}" + end +end + +nseq = 0 +ifp = File.open( "#{temp_if}", 'r' ) + while ifp.gets + nseq += 1 if $_ =~ /^>/ + end +ifp.close + +if nseq >= 100 then + STDERR.puts "The number of input sequences must be <100." + exit +elsif nseq == 1 then + system( "cp #{temp_if}" + " #{temp_pf}" ) +else + STDERR.puts "Performing preliminary alignment .. " + if entiresearch == 1 then +# system( mafftpath + " --maxiterate 1000 --localpair #{temp_if} > #{temp_pf}" ) + system( mafftpath + " --maxiterate 0 --retree 2 #{temp_if} > #{temp_pf}" ) + else + system( mafftpath + " --maxiterate 1000 --localpair --core --coreext --corethr #{corethr.to_s} --corewin #{corewin.to_s} #{temp_if} > #{temp_pf}" ) + end +end + +pfp = File.open( "#{temp_pf}", 'r' ) +inname = [] +inseq = [] +slen = [] +act = [] +nin = 0 +nin = readfasta( pfp, inname, inseq ) +for i in 0..(nin-1) + slen.push( inseq[i].gsub(/-/,"").length ) + act.push( 1 ) +end +pfp.close + +pfp = File.open( "#{temp_if}", 'r' ) +orname = [] +orseq = [] +nin = 0 +nin = readfasta( pfp, orname, orseq ) +pfp.close + +allen = inseq[0].length +for i in 0..(nin-2) + for j in (i+1)..(nin-1) + next if act[i] == 0 + next if act[j] == 0 + pid = 0.0 + total = 0 + for a in 0..(allen-1) + next if inseq[i][a,1] == "-" || inseq[j][a,1] == "-" + total += 1 + pid += 1.0 if inseq[i][a,1] == inseq[j][a,1] + end + pid /= total +# puts "#{i.to_s}, #{j.to_s}, #{pid.to_s}" + if pid > 0.5 then + if slen[i] < slen[j] + act[i] = 0 + else + act[j] = 0 + end + end + end +end +#p act + + +afp = File.open( "#{temp_af}", 'w' ) + +STDERR.puts "Searching .. \n" +ids = [] +add = [] +sco = [] +for i in 0..(nin-1) + inseq[i].gsub!(/-/,"") + afp.puts ">" + orname[i] + afp.puts orseq[i] + +# afp.puts ">" + inname[i] +# afp.puts inseq[i] + + STDERR.puts "Query (#{i+1}/#{nin})\n" + inname[i] + if act[i] == 0 then + STDERR.puts "Skip.\n\n" + next + end + + if local == 0 then + command = "lynx -source 'http://www.ncbi.nlm.nih.gov/blast/Blast.cgi?QUERY=" + inseq[i] + "&DATABASE=swissprot&HITLIST_SIZE=" + nadd.to_s + "&FILTER=L&EXPECT='" + eval.to_s + "'&FORMAT_TYPE=TEXT&PROGRAM=blastp&SERVICE=plain&NCBI_GI=on&PAGE=Proteins&CMD=Put' > #{temp_rid}" + system command + + ridp = File.open( "#{temp_rid}", 'r' ) + while ridp.gets + break if $_ =~ / RID = (.*)/ + end + ridp.close + rid = $1.strip + STDERR.puts "Submitted to NCBI. rid = " + rid + + STDERR.printf "Waiting " + while 1 + STDERR.printf "." + sleep 10 + command = "lynx -source 'http://www.ncbi.nlm.nih.gov/blast/Blast.cgi?RID=" + rid + "&DESCRIPTIONS=500&ALIGNMENTS=" + nadd.to_s + "&ALIGNMENT_TYPE=Pairwise&OVERVIEW=no&CMD=Get&FORMAT_TYPE=XML' > #{temp_res}" + system command + resp = File.open( "#{temp_res}", 'r' ) +# resp.gets +# if $_ =~ /WAITING/ then +# resp.close +# next +# end + while( resp.gets ) + break if $_ =~ /QBlastInfoBegin/ + end + resp.gets + if $_ =~ /WAITING/ then + resp.close + next + else + resp.close + break + end + end + else +# puts "Not supported" +# exit + qfp = File.open( "#{temp_qf}", 'w' ) + qfp.puts "> " + qfp.puts inseq[i] + qfp.close + command = blastpath + " -p blastp -e #{eval} -b 1000 -m 7 -i #{temp_qf} -d #{localdb} > #{temp_res}" + system command + resp = File.open( "#{temp_res}", 'r' ) + end + STDERR.puts " Done.\n\n" + + resp = File.open( "#{temp_res}", 'r' ) + while 1 + while resp.gets + break if $_ =~ /(.*)<\/Hit_id>/ || $_ =~ /()/ + end + id = $1 + break if $_ =~ // +# p id + while resp.gets + break if $_ =~ /(.*)<\/Hsp_bit-score>/ + end + score = $1.to_f +# p score + + known = ids.index( id ) + if known != nil then + if sco[known] >= score then + next + else + ids.delete_at( known ) + add.delete_at( known ) + sco.delete_at( known ) + end + end + while resp.gets + break if $_ =~ /(.*)<\/Hsp_hseq>/ + end +# break if $1 == nil + target = $1.sub( /-/, "" ).sub( /U/, "X" ) +# p target +# STDERR.puts "adding 1 seq" + ids.push( id ) + sco.push( score ) + add.push( target ) + end + resp.close +end + +n = ids.length + +outnum = 0 +while n > 0 && outnum < nadd + m = rand( n ) + afp.puts ">_addedbymaffte_" + ids[m] + afp.puts add[m] + ids.delete_at( m ) + add.delete_at( m ) + n -= 1 + outnum += 1 +end +afp.close + +STDERR.puts "Performing alignment .. " +system( mafftpath + mafftopt + " #{temp_af} > #{temp_bf}" ) +STDERR.puts "done." + +bfp = File.open( "#{temp_bf}", 'r' ) +outseq = [] +outnam = [] +readfasta( bfp, outnam, outseq ) +bfp.close + +outseq2 = [] +outnam2 = [] + +len = outseq.length +for i in 0..(len-1) +# p outnam[i] + if fullout == 0 && outnam[i] =~ /_addedbymaffte_/ then + next + end + outseq2.push( outseq[i] ) + outnam2.push( outnam[i].sub( /_addedbymaffte_/, "_ho_" ) ) +end + +nout = outseq2.length +len = outseq[0].length +p = len +while p>0 + p -= 1 + allgap = 1 + for j in 0..(nout-1) + if outseq2[j][p,1] != "-" then + allgap = 0 + break + end + end + if allgap == 1 then + for j in 0..(nout-1) + outseq2[j][p,1] = "" + end + end +end +for i in 0..(nout-1) + puts ">" + outnam2[i] + puts outseq2[i].gsub( /.{1,60}/, "\\0\n" ) +end + + +system( "rm -rf #{temp_if} #{temp_vf} #{temp_af} #{temp_bf} #{temp_pf} #{temp_qf} #{temp_res} #{temp_rid}" ) diff --git a/binaries/src/mafft/core/mafft-profile.c b/binaries/src/mafft/core/mafft-profile.c new file mode 100644 index 0000000..1eb479c --- /dev/null +++ b/binaries/src/mafft/core/mafft-profile.c @@ -0,0 +1,504 @@ +#include "mltaln.h" + +#define DEBUG 0 + +#if DEBUG +#include +#include +#include +double getrusage_sec() +{ + struct rusage t; + struct timeval tv; + getrusage(RUSAGE_SELF, &t); + tv = t.ru_utime; + return tv.tv_sec + (double)tv.tv_usec*1e-6; +} +#endif + + +int intcmp( int *str1, int *str2 ) +{ + while( *str1 != -1 && *str2 != -1 ) + if( *str1++ != *str2++ ) return( 1 ); + if( *str1 != *str2 ) return( 1 ); + return( 0 ); +} + +char **arguments( int argc, char *argv[] ) +{ + int c = 0; + + fmodel = 0; + nblosum = 62; + calledByXced = 0; + devide = 0; + fftscore = 1; + use_fft = 1; + alg = 'A'; + weight = 0; + utree = 1; + tbutree = 0; + refine = 0; + check = 1; + cut = 0.0; + disp = 0; + outgap = 0; + mix = 0; + tbitr = 0; + scmtd = 5; + tbweight = 0; + tbrweight = 3; + checkC = 0; + scoremtx = 1; + dorp = NOTSPECIFIED; + ppenalty = NOTSPECIFIED; + ppenalty_ex = NOTSPECIFIED; + poffset = 0; // chokusetsu yobareru kara + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + fftWinSize = NOTSPECIFIED; + fftThreshold = NOTSPECIFIED; + TMorJTT = JTT; + treemethod = 'x'; + + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'P': + dorp = 'p'; + break; + case 'D': + dorp = 'd'; + break; + case 'F': + use_fft = 1; + break; + case 'N': + use_fft = 0; + break; + case 'e': + fftscore = 0; + break; + case 'Q': + alg = 'Q'; + break; + case 'H': + alg = 'H'; + break; + case 'A': + alg = 'A'; + break; + case 'M': + alg = 'M'; + break; + case 'd': + disp = 1; + break; + case 'O': + outgap = 0; + break; + case 'a': + fmodel = 1; + break; + case 'u': + tbrweight = 0; + break; + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kappa = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; + fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "tm %d\n", pamN ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 2 ) + { + fprintf( stderr, "options: Check source file ! %c ?\n", c ); + exit( 1 ); + } + fprintf( stderr, "tbitr = %d, tbrweight = %d, tbweight = %d\n", tbitr, tbrweight, tbweight ); +// readOtherOptions( &ppid, &fftThreshold, &fftWinSize ); + return( argv ); + +} + +void GroupAlign( int nseq1, int nseq2, char **name, int *nlen, char **seq, char **aseq, char **mseq1, char **mseq2, int ***topol, double **len, double *eff, int alloclen ) +{ + int i; + int clus1, clus2; + int s1, s2; + float pscore; + static char **name1, **name2; + double *effarr = eff; + double *effarr1 = NULL; + double *effarr2 = NULL; + static char *indication1, *indication2; + float dumfl = 0.0; + int intdum; +#if DEBUG + double time1, time2; +#endif + + +// fprintf( stderr, "in GroupAlign fftWinSize = %d\n", fftWinSize ); +// fprintf( stderr, "in GroupAlign fftThreshold = %d\n", fftThreshold ); + + if( effarr1 == NULL ) + { + name1 = AllocateCharMtx( nseq1, B ); + name2 = AllocateCharMtx( nseq2, B ); + indication1 = AllocateCharVec( 150 ); + indication2 = AllocateCharVec( 150 ); + effarr1 = AllocateDoubleVec( njob ); + effarr2 = AllocateDoubleVec( njob ); +#if 0 +#else +#endif + } + + for( i=0; i 30000 || len2 > 30000 ) + { + fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode.\n", len1, len2 ); + alg = 'M'; + } + + + + + GroupAlign( nseq1, nseq2, name, nlen, seq, aseq, mseq1, mseq2, topol, len, eff, alloclen ); + +#if 0 + writePre( njob, name, nlen, aseq, 1 ); +#else + writeDataforgaln( stdout, njob, name, nlen, aseq ); +#endif + + SHOWVERSION; + return( 0 ); +} diff --git a/binaries/src/mafft/core/mafft.1 b/binaries/src/mafft/core/mafft.1 new file mode 100644 index 0000000..8636334 --- /dev/null +++ b/binaries/src/mafft/core/mafft.1 @@ -0,0 +1,479 @@ +.\" Title: MAFFT +.\" Author: Kazutaka Katoh +.\" Generator: DocBook XSL Stylesheets v1.72.0 +.\" Date: 2007-08-14 +.\" Manual: Mafft Manual +.\" Source: mafft 6.240 +.\" +.TH "MAFFT" "1" "2007\-06\-09" "mafft 6.240" "Mafft Manual" +.\" disable hyphenation +.nh +.\" disable justification (adjust text to left margin only) +.ad l +.SH "THIS MANUAL IS FOR V6.2XX (2007)" +Recent versions (v6.8xx; 2010 Nov.) have more features than those described below. +See also the tips page at +http://mafft.cbrc.jp/alignment/software/tips0.html +.SH "NAME" +.RS 0 +.sp +mafft \- Multiple alignment program for amino acid or nucleotide sequences +.RE +.SH "SYNOPSIS" +.RS 0 +.HP 6 +\fBmafft\fR [\fBoptions\fR] \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBlinsi\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBginsi\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBeinsi\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 7 +\fBfftnsi\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBfftns\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 5 +\fBnwns\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBnwnsi\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 14 +\fBmafft\-profile\fR \fIgroup1\fR \fIgroup2\fR [>\ \fIoutput\fR] +.HP +.sp +\fIinput\fR, \fIgroup1\fR and \fIgroup2\fR must be in FASTA format. +.RE +.SH "DESCRIPTION" +.RS 0 +\fBMAFFT\fR is a multiple sequence alignment program for unix\-like operating systems. It offers a range of multiple alignment methods. +.SS "Accuracy\-oriented methods:" +.sp +.RS 4 +\h'-04'\(bu\h'+03'L\-INS\-i (probably most accurate; recommended for <200 sequences; iterative refinement method incorporating local pairwise alignment information): +.HP 6 +\fBmafft\fR \fB\-\-localpair\fR \fB\-\-maxiterate\fR\ \fI1000\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBlinsi\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'G\-INS\-i (suitable for sequences of similar lengths; recommended for <200 sequences; iterative refinement method incorporating global pairwise alignment information): +.HP 6 +\fBmafft\fR \fB\-\-globalpair\fR \fB\-\-maxiterate\fR\ \fI1000\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBginsi\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'E\-INS\-i (suitable for sequences containing large unalignable regions; recommended for <200 sequences): +.HP 6 +\fBmafft\fR \fB\-\-ep\fR\ \fI0\fR \fB\-\-genafpair\fR \fB\-\-maxiterate\fR\ \fI1000\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBeinsi\fR \fIinput\fR [>\ \fIoutput\fR] +.br + +For E\-INS\-i, the +\fB\-\-ep\fR +\fI0\fR +option is recommended to allow large gaps. +.RE +.SS "Speed\-oriented methods:" +.sp +.RS 4 +\h'-04'\(bu\h'+03'FFT\-NS\-i (iterative refinement method; two cycles only): +.HP 6 +\fBmafft\fR \fB\-\-retree\fR\ \fI2\fR \fB\-\-maxiterate\fR\ \fI2\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 7 +\fBfftnsi\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'FFT\-NS\-i (iterative refinement method; max. 1000 iterations): +.HP 6 +\fBmafft\fR \fB\-\-retree\fR\ \fI2\fR \fB\-\-maxiterate\fR\ \fI1000\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'FFT\-NS\-2 (fast; progressive method): +.HP 6 +\fBmafft\fR \fB\-\-retree\fR\ \fI2\fR \fB\-\-maxiterate\fR\ \fI0\fR \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBfftns\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'FFT\-NS\-1 (very fast; recommended for >2000 sequences; progressive method with a rough guide tree): +.HP 6 +\fBmafft\fR \fB\-\-retree\fR\ \fI1\fR \fB\-\-maxiterate\fR\ \fI0\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'NW\-NS\-i (iterative refinement method without FFT approximation; two cycles only): +.HP 6 +\fBmafft\fR \fB\-\-retree\fR\ \fI2\fR \fB\-\-maxiterate\fR\ \fI2\fR \fB\-\-nofft\fR\ \fIinput\fR [>\ \fIoutput\fR] +.HP 7 +\fBnwnsi\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'NW\-NS\-2 (fast; progressive method without the FFT approximation): +.HP 6 +\fBmafft\fR \fB\-\-retree\fR\ \fI2\fR \fB\-\-maxiterate\fR\ \fI0\fR \fB\-\-nofft\fR\ \fIinput\fR [>\ \fIoutput\fR] +.HP 6 +\fBnwns\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'NW\-NS\-PartTree\-1 (recommended for ~10,000 to ~50,000 sequences; progressive method with the PartTree algorithm): +.HP 6 +\fBmafft\fR \fB\-\-retree\fR\ \fI1\fR \fB\-\-maxiterate\fR\ \fI0\fR \fB\-\-nofft\fR\ \fB\-\-parttree\fR \fIinput\fR [>\ \fIoutput\fR] +.RE +.SS "Group\-to\-group alignments" +.HP 6 +.RS 4 +\fBmafft\-profile\fR \fIgroup1\fR \fIgroup2\fR [>\ \fIoutput\fR] +.sp +or: +.sp +\fBmafft\fR \fB\-\-maxiterate\fR\ \fI1000\fR \fB\-\-seed\fR\ \fIgroup1\fR \fB\-\-seed\fR\ \fIgroup2\fR /dev/null [>\ \fIoutput\fR] +.RE +.RE +.RE +.SH "OPTIONS" +.SS "Algorithm" +.RS 0 +.PP +\fB\-\-auto\fR +.RS 4 +Automatically selects an appropriate strategy from L\-INS\-i, FFT\-NS\-i and FFT\-NS\-2, according to data +size. Default: off (always FFT\-NS\-2) +.RE +.PP +\fB\-\-6merpair\fR +.RS 4 +Distance is calculated based on the number of shared 6mers. Default: on +.RE +.PP +\fB\-\-globalpair\fR +.RS 4 +All pairwise alignments are computed with the Needleman\-Wunsch +algorithm. More accurate but slower +than \-\-6merpair. Suitable for a set of +globally alignable sequences. Applicable to +up to ~200 sequences. A combination with \-\-maxiterate 1000 is recommended (G\-INS\-i). Default: off (6mer distance is used) +.RE +.PP +\fB\-\-localpair\fR +.RS 4 +All pairwise alignments are computed with the Smith\-Waterman +algorithm. More accurate but slower +than \-\-6merpair. Suitable for a set of +locally alignable sequences. Applicable to +up to ~200 sequences. A combination with \-\-maxiterate 1000 is recommended (L\-INS\-i). Default: off (6mer distance is used) +.RE +.PP +\fB\-\-genafpair\fR +.RS 4 +All pairwise alignments are computed with a local +algorithm with the generalized affine gap cost +(Altschul 1998). More accurate but slower +than \-\-6merpair. Suitable when large internal gaps +are expected. Applicable to +up to ~200 sequences. A combination with \-\-maxiterate 1000 is recommended (E\-INS\-i). Default: off (6mer distance is used) +.RE +.\".PP +.\"\fB\-\-fastswpair\fR +.\".RS 4 +.\"Distance is calculated based on a FASTA alignment. +.\"FASTA is required. Default: off (6mer distance is used) +.\".RE +.PP +\fB\-\-fastapair\fR +.RS 4 +All pairwise alignments are computed with FASTA (Pearson and Lipman 1988). +FASTA is required. Default: off (6mer distance is used) +.RE +.\".PP +.\"\fB\-\-blastpair\fR +.\".RS 4 +.\"Distance is calculated based on a BLAST alignment. BLAST is +.\"required. Default: off (6mer distance is used) +.\".RE +.PP +\fB\-\-weighti\fR \fInumber\fR +.RS 4 +Weighting factor for the consistency term calculated from pairwise alignments. Valid when +either of \-\-globalpair, \-\-localpair, \-\-genafpair, \-\-fastapair or +\-\-blastpair is selected. Default: 2.7 +.RE +.PP +\fB\-\-retree\fR \fInumber\fR +.RS 4 +Guide tree is built \fInumber\fR times in the +progressive stage. Valid with 6mer distance. Default: 2 +.RE +.PP +\fB\-\-maxiterate\fR \fInumber\fR +.RS 4 +\fInumber\fR cycles of iterative refinement are performed. Default: 0 +.RE +.PP +\fB\-\-fft\fR +.RS 4 +Use FFT approximation in group\-to\-group alignment. Default: on +.RE +.PP +\fB\-\-nofft\fR +.RS 4 +Do not use FFT approximation in group\-to\-group alignment. Default: off +.RE +.PP +\fB\-\-noscore\fR +.RS 4 +Alignment score is not checked in the iterative refinement stage. Default: off (score is checked) +.RE +.PP +\fB\-\-memsave\fR +.RS 4 +Use the Myers\-Miller (1988) algorithm. Default: automatically turned on when the alignment length exceeds 10,000 (aa/nt). +.RE +.PP +\fB\-\-parttree\fR +.RS 4 +Use a fast tree\-building method (PartTree, Katoh and Toh 2007) with +the 6mer distance. Recommended for a large number (> ~10,000) +of sequences are input. Default: off +.RE +.PP +\fB\-\-dpparttree\fR +.RS 4 +The PartTree algorithm is used with distances based on DP. Slightly +more accurate and slower than \-\-parttree. Recommended for a large +number (> ~10,000) of sequences are input. Default: off +.RE +.PP +\fB\-\-fastaparttree\fR +.RS 4 +The PartTree algorithm is used with distances based on FASTA. Slightly more accurate and slower than \-\-parttree. Recommended for a large number (> ~10,000) of sequences are input. FASTA is required. Default: off +.RE +.PP +\fB\-\-partsize\fR \fInumber\fR +.RS 4 +The number of partitions in the PartTree algorithm. Default: 50 +.RE +.PP +\fB\-\-groupsize\fR \fInumber\fR +.RS 4 +Do not make alignment larger than \fInumber\fR sequences. Valid only with the \-\-*parttree options. Default: the number of input sequences +.RE +.RE +.SS "Parameter" +.RS 0 +.PP +\fB\-\-op\fR \fInumber\fR +.RS 4 +Gap opening penalty at group\-to\-group alignment. Default: 1.53 +.RE +.PP +\fB\-\-ep\fR \fInumber\fR +.RS 4 +Offset value, which works like gap extension penalty, for +group\-to\-group alignment. Default: 0.123 +.RE +.PP +\fB\-\-lop\fR \fInumber\fR +.RS 4 +Gap opening penalty at local pairwise +alignment. Valid when +the \-\-localpair or \-\-genafpair option is selected. Default: \-2.00 +.RE +.PP +\fB\-\-lep\fR \fInumber\fR +.RS 4 +Offset value at local pairwise alignment. Valid when +the \-\-localpair or \-\-genafpair option is selected. Default: 0.1 +.RE +.PP +\fB\-\-lexp\fR \fInumber\fR +.RS 4 +Gap extension penalty at local pairwise alignment. Valid when +the \-\-localpair or \-\-genafpair option is selected. Default: \-0.1 +.RE +.PP +\fB\-\-LOP\fR \fInumber\fR +.RS 4 +Gap opening penalty to skip the alignment. Valid when the +\-\-genafpair option is selected. Default: \-6.00 +.RE +.PP +\fB\-\-LEXP\fR \fInumber\fR +.RS 4 +Gap extension penalty to skip the alignment. Valid when the +\-\-genafpair option is selected. Default: 0.00 +.RE +.PP +\fB\-\-bl\fR \fInumber\fR +.RS 4 +BLOSUM \fInumber\fR matrix (Henikoff and Henikoff 1992) is used. \fInumber\fR=30, 45, 62 or 80. Default: 62 +.RE +.PP +\fB\-\-jtt\fR \fInumber\fR +.RS 4 +JTT PAM \fInumber\fR (Jones et al. 1992) matrix is used. \fInumber\fR>0. Default: BLOSUM62 +.RE +.PP +\fB\-\-tm\fR \fInumber\fR +.RS 4 +Transmembrane PAM \fInumber\fR (Jones et al. 1994) matrix is used. \fInumber\fR>0. Default: BLOSUM62 +.RE +.PP +\fB\-\-aamatrix\fR \fImatrixfile\fR +.RS 4 +Use a user\-defined AA scoring matrix. The format of \fImatrixfile\fR is +the same to that of BLAST. Ignored when nucleotide sequences are input. Default: BLOSUM62 +.RE +.PP +\fB\-\-fmodel\fR +.RS 4 +Incorporate the AA/nuc composition information into +the scoring matrix. Default: off +.RE +.RE +.SS "Output" +.RS 0 +.PP +\fB\-\-clustalout\fR +.RS 4 +Output format: clustal format. Default: off (fasta format) +.RE +.PP +\fB\-\-inputorder\fR +.RS 4 +Output order: same as input. Default: on +.RE +.PP +\fB\-\-reorder\fR +.RS 4 +Output order: aligned. Default: off (inputorder) +.RE +.PP +\fB\-\-treeout\fR +.RS 4 +Guide tree is output to the \fIinput\fR.tree file. Default: off +.RE +.PP +\fB\-\-quiet\fR +.RS 4 +Do not report progress. Default: off +.RE +.RE +.SS "Input" +.RS 0 +.PP +\fB\-\-nuc\fR +.RS 4 +Assume the sequences are nucleotide. Default: auto +.RE +.PP +\fB\-\-amino\fR +.RS 4 +Assume the sequences are amino acid. Default: auto +.RE +.PP +\fB\-\-seed\fR \fIalignment1\fR [\fB--seed\fR \fIalignment2\fR \fB--seed\fR \fIalignment3\fR ...] +.RS 4 +Seed alignments given in \fIalignment_n\fR (fasta format) are aligned with +sequences in \fIinput\fR. The alignment within every seed is preserved. +.RE +.RE +.SH "FILES" +.RS 0 +.PP +Mafft stores the input sequences and other files in a temporary directory, which by default is located in +\fI/tmp\fR. +.RE +.SH "ENVIONMENT" +.RS 0 +.PP +\fBMAFFT_BINARIES\fR +.RS 4 +Indicates the location of the binary files used by mafft. By default, they are searched in +\fI/usr/local/lib/mafft\fR, but on Debian systems, they are searched in +\fI/usr/lib/mafft\fR. +.RE +.PP +\fBFASTA_4_MAFFT\fR +.RS 4 +This variable can be set to indicate to mafft the location to the fasta34 program if it is not in the PATH. +.RE +.RE +.SH "SEE ALSO" +.RS 0 +.PP + +\fBmafft\-homologs\fR(1) +.RE +.SH "REFERENCES" +.RS 0 +.SS "In English" +.sp +.RS 4 +\h'-04'\(bu\h'+03'Katoh and Toh (Bioinformatics 23:372\-374, 2007) PartTree: an algorithm to build an approximate tree from a large number of unaligned sequences (describes the PartTree algorithm). +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'Katoh, Kuma, Toh and Miyata (Nucleic Acids Res. 33:511\-518, 2005) MAFFT version 5: improvement in accuracy of multiple sequence alignment (describes [ancestral versions of] the G\-INS\-i, L\-INS\-i and E\-INS\-i strategies) +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'Katoh, Misawa, Kuma and Miyata (Nucleic Acids Res. 30:3059\-3066, 2002) MAFFT: a novel method for rapid multiple sequence alignment based on fast Fourier transform (describes the FFT\-NS\-1, FFT\-NS\-2 and FFT\-NS\-i strategies) +.RE +.SS "In Japanese" +.sp +.RS 4 +\h'-04'\(bu\h'+03'Katoh and Misawa (Seibutsubutsuri 46:312\-317, 2006) Multiple Sequence Alignments: the Next Generation +.RE +.sp +.RS 4 +\h'-04'\(bu\h'+03'Katoh and Kuma (Kagaku to Seibutsu 44:102\-108, 2006) Jissen\-teki Multiple Alignment +.RE +.RE +.SH "AUTHORS" +.RS 0 +.PP +\fBKazutaka Katoh\fR <\&kazutaka.katoh_at_aist.go.jp\&> +.sp -1n +.IP "" 4 +Wrote Mafft. +.PP +\fBCharles Plessy\fR <\&charles\-debian\-nospam_at_plessy.org\&> +.sp -1n +.IP "" 4 +Wrote this manpage in DocBook XML for the Debian distribution, using Mafft's homepage as a template. +.RE +.SH "COPYRIGHT" +.RS 0 +Copyright \(co 2002\-2007 Kazutaka Katoh (mafft) +.br +Copyright \(co 2007 Charles Plessy (this manpage) +.br +.PP +Mafft and its manpage are offered under the following conditions: +.PP +Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: +.sp +.RS 4 +\h'-04' 1.\h'+02'Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. +.RE +.sp +.RS 4 +\h'-04' 2.\h'+02'Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. +.RE +.sp +.RS 4 +\h'-04' 3.\h'+02'The name of the author may not be used to endorse or promote products derived from this software without specific prior written permission. +.RE +.PP +THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. +.br +.RE diff --git a/binaries/src/mafft/core/mafft.bat b/binaries/src/mafft/core/mafft.bat new file mode 100644 index 0000000..bce9bde --- /dev/null +++ b/binaries/src/mafft/core/mafft.bat @@ -0,0 +1,17 @@ +@echo off + +setlocal + +if not "x%PROCESSOR_ARCHITECTURE%" == "xAMD64" goto _NotX64 +set COMSPEC=%WINDIR%\SysWOW64\cmd.exe +%COMSPEC% /c %0 %* +goto EOF +:_NotX64 + +set ROOTDIR="%~d0%~p0\ms" +set PATH=/bin/ +set MAFFT_BINARIES=/lib/mafft + +%ROOTDIR%\bin\sh %ROOTDIR%\bin\mafft %* + +:EOF diff --git a/binaries/src/mafft/core/mafft.tmpl b/binaries/src/mafft/core/mafft.tmpl new file mode 100644 index 0000000..7368f88 --- /dev/null +++ b/binaries/src/mafft/core/mafft.tmpl @@ -0,0 +1,1658 @@ +#! /bin/sh + + +er=0; +myself=`dirname "$0"`/`basename "$0"`; export myself +version="v6.857b (2011/05/30)"; export version +LANG=C; export LANG +os=`uname` +progname=`basename "$0"` +if [ `echo $os | grep -i cygwin` ]; then + os="cygwin" +elif [ `echo $os | grep -i darwin` ]; then + os="darwin" +elif [ `echo $os | grep -i sunos` ]; then + os="sunos" +elif [ `echo $os | grep -i linux` ]; then + os="linux" +else + os="unix" +fi +export os + +if [ "$MAFFT_BINARIES" ]; then + prefix="$MAFFT_BINARIES" +else + prefix=_LIBDIR +fi +export prefix + +if [ $# -gt 0 ]; then + if [ "$1" = "--man" ]; then + man "$prefix/mafft.1" + exit 0; + fi +fi + +if [ ! -x "$prefix/tbfast" ]; then + echo "" 1>&2 + echo "correctly installed?" 1>&2 + echo "mafft binaries have to be installed in \$MAFFT_BINARIES" 1>&2 + echo "or the $prefix directory". 1>&2 + echo "" 1>&2 + exit 1 + er=1 +fi + +defaultiterate=0 +defaultcycle=2 +defaultgop="1.53" +#defaultaof="0.123" +defaultaof="0.000" +defaultlaof="0.100" +defaultlgop="-2.00" +defaultfft=1 +defaultrough=0 +defaultdistance="sixtuples" +#defaultdistance="local" +defaultweighti="2.7" +defaultweightr="0.0" +defaultweightm="1.0" +defaultmccaskill=0 +defaultcontrafold=0 +defaultalgopt=" " +defaultalgoptit=" " +defaultsbstmodel=" -b 62 " +defaultfmodel=" " +defaultkappa=" " +if [ $progname = "xinsi" -o $progname = "mafft-xinsi" ]; then + defaultfft=1 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="scarna" + defaultweighti="3.2" + defaultweightr="8.0" + defaultweightm="2.0" + defaultmccaskill=1 + defaultcontrafold=0 + defaultalgopt=" -A " + defaultalgoptit=" -AB " ## chui + defaultaof="0.0" + defaultsbstmodel=" -b 62 " + defaultkappa=" " + defaultfmodel=" -a " +elif [ $progname = "qinsi" -o $progname = "mafft-qinsi" ]; then + defaultfft=1 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="global" + defaultweighti="3.2" + defaultweightr="8.0" + defaultweightm="2.0" + defaultmccaskill=1 + defaultcontrafold=0 + defaultalgopt=" -A " + defaultalgoptit=" -AB " ## chui + defaultaof="0.0" + defaultsbstmodel=" -b 62 " + defaultkappa=" " + defaultfmodel=" -a " +elif [ $progname = "linsi" -o $progname = "mafft-linsi" ]; then + defaultfft=0 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="local" +elif [ $progname = "ginsi" -o $progname = "mafft-ginsi" ]; then + defaultfft=1 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="global" +elif [ $progname = "einsi" -o $progname = "mafft-einsi" ]; then + defaultfft=0 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="localgenaf" +elif [ $progname = "fftns" -o $progname = "mafft-fftns" ]; then + defaultfft=1 + defaultcycle=2 + defaultdistance="sixtuples" +elif [ $progname = "fftnsi" -o $progname = "mafft-fftnsi" ]; then + defaultfft=1 + defaultcycle=2 + defaultiterate=2 + defaultdistance="sixtuples" +elif [ $progname = "nwns" -o $progname = "mafft-nwns" ]; then + defaultfft=0 + defaultcycle=2 + defaultdistance="sixtuples" +elif [ $progname = "nwnsi" -o $progname = "mafft-nwnsi" ]; then + defaultfft=0 + defaultcycle=2 + defaultiterate=2 + defaultdistance="sixtuples" +fi +outputfile="" +namelength=15 +anysymbol=0 +parallelizationstrategy="BAATARI2" +kappa=$defaultkappa +sbstmodel=$defaultsbstmodel +fmodel=$defaultfmodel +gop=$defaultgop +aof=$defaultaof +cycle=$defaultcycle +iterate=$defaultiterate +fft=$defaultfft +rough=$defaultrough +distance=$defaultdistance +forcefft=0 +memopt=" " +weightopt=" " +GGOP="-6.00" +LGOP="-6.00" +LEXP="-0.000" +GEXP="-0.000" +lgop=$defaultlgop +lexp="-0.100" +laof=$defaultlaof +pggop="-2.00" +pgexp="-0.10" +pgaof="0.10" +rgop="-1.530" +rgep="-0.000" +seqtype=" " +weighti=$defaultweighti +weightr=$defaultweightr +weightm=$defaultweightm +rnaalifold=0 +mccaskill=$defaultmccaskill +contrafold=$defaultcontrafold +quiet=0 +debug=0 +sw=0 +algopt=$defaultalgopt +algoptit=$defaultalgoptit +scorecalcopt=" " +coreout=0 +corethr="0.5" +corewin="100" +coreext=" " +outputformat="pir" +outorder="input" +seed="x" +seedtable="x" +auto=0 +groupsize=-1 +partsize=50 +partdist="sixtuples" +partorderopt=" -x " +treeout=0 +distout=0 +treein=0 +topin=0 +treeinopt=" " +seedfiles="/dev/null" +seedtablefile="/dev/null" +aamatrix="/dev/null" +treeinfile="/dev/null" +rnascoremtx=" " +laraparams="/dev/null" +foldalignopt=" " +treealg=" -X " +scoreoutarg=" " +numthreads=0 +randomseed=0 +addfile="/dev/null" +addarg0=" " +outnum=" " +if [ $# -gt 0 ]; then + while [ $# -gt 1 ]; + do + if [ "$1" = "--auto" ]; then + auto=1 + elif [ "$1" = "--anysymbol" ]; then + anysymbol=1 + elif [ "$1" = "--preservecase" ]; then + anysymbol=1 + elif [ "$1" = "--clustalout" ]; then + outputformat="clustal" + elif [ "$1" = "--phylipout" ]; then + outputformat="phylip" + elif [ "$1" = "--reorder" ]; then + outorder="aligned" + partorderopt=" " + elif [ "$1" = "--inputorder" ]; then + outorder="input" + partorderopt=" -x " + elif [ "$1" = "--unweight" ]; then + weightopt=" -u " + elif [ "$1" = "--algq" ]; then + algopt=" -Q " + algoptit=" -QB " + elif [ "$1" = "--namelength" ]; then + shift + namelength=`expr "$1" - 0` + elif [ "$1" = "--groupsize" ]; then + shift + groupsize=`expr "$1" - 0` + elif [ "$1" = "--partsize" ]; then + shift + partsize=`expr "$1" - 0` + elif [ "$1" = "--parttree" ]; then + distance="parttree" + partdist="sixtuples" + elif [ "$1" = "--dpparttree" ]; then + distance="parttree" + partdist="localalign" + elif [ "$1" = "--fastaparttree" ]; then + distance="parttree" + partdist="fasta" + elif [ "$1" = "--treeout" ]; then + treeout=1 + elif [ "$1" = "--distout" ]; then + distout=1 + elif [ "$1" = "--fastswpair" ]; then + distance="fasta" + sw=1 + elif [ "$1" = "--fastapair" ]; then + distance="fasta" + sw=0 + elif [ "$1" = "--averagelinkage" ]; then + treealg=" -E " + elif [ "$1" = "--minimumlinkage" ]; then + treealg=" -q " + elif [ "$1" = "--noscore" ]; then + scorecalcopt=" -Z " + elif [ "$1" = "--6merpair" ]; then + distance="sixtuples" + elif [ "$1" = "--blastpair" ]; then + distance="blast" + elif [ "$1" = "--globalpair" ]; then + distance="global" + elif [ "$1" = "--localpair" ]; then + distance="local" + elif [ "$1" = "--scarnapair" ]; then + distance="scarna" + elif [ "$1" = "--larapair" ]; then + distance="lara" + elif [ "$1" = "--slarapair" ]; then + distance="slara" + elif [ "$1" = "--foldalignpair" ]; then + distance="foldalignlocal" + elif [ "$1" = "--foldalignlocalpair" ]; then + distance="foldalignlocal" + elif [ "$1" = "--foldalignglobalpair" ]; then + distance="foldalignglobal" + elif [ "$1" = "--globalgenafpair" ]; then + distance="globalgenaf" + elif [ "$1" = "--localgenafpair" ]; then + distance="localgenaf" + elif [ "$1" = "--genafpair" ]; then + distance="localgenaf" + elif [ "$1" = "--memsave" ]; then + memopt=" -M -B " # -B (bunkatsunashi no riyu ga omoidasenai) + elif [ "$1" = "--nomemsave" ]; then + memopt=" -N " + elif [ "$1" = "--nuc" ]; then + seqtype=" -D " + elif [ "$1" = "--amino" ]; then + seqtype=" -P " + elif [ "$1" = "--fft" ]; then + fft=1 + forcefft=1 + elif [ "$1" = "--nofft" ]; then + fft=0 + elif [ "$1" = "--quiet" ]; then + quiet=1 + elif [ "$1" = "--debug" ]; then + debug=1 + elif [ "$1" = "--coreext" ]; then + coreext=" -c " + elif [ "$1" = "--core" ]; then + coreout=1 + elif [ "$1" = "--out" ]; then + shift + outputfile="$1" + elif [ "$1" = "--thread" ]; then + shift + numthreads=`expr "$1" - 0` + elif [ "$1" = "--randomseed" ]; then + shift + randomseed=`expr "$1" - 0` + elif [ "$1" = "--bestfirst" ]; then + parallelizationstrategy="BESTFIRST" + elif [ "$1" = "--adhoc0" ]; then + parallelizationstrategy="BAATARI0" + elif [ "$1" = "--adhoc1" ]; then + parallelizationstrategy="BAATARI1" + elif [ "$1" = "--adhoc2" ]; then + parallelizationstrategy="BAATARI2" + elif [ "$1" = "--simplehillclimbing" ]; then + parallelizationstrategy="BAATARI2" + elif [ "$1" = "--scoreout" ]; then + scoreoutarg="-S -B" + elif [ "$1" = "--outnum" ]; then + scoreoutarg="-n" + elif [ "$1" = "--addprofile" ]; then + shift + addarg0="-I" + addfile="$1" + elif [ "$1" = "--add" ]; then + shift + addarg0="-K -I" + addfile="$1" + elif [ "$1" = "--maxiterate" ]; then + shift + iterate=`expr "$1" - 0` + elif [ "$1" = "--retree" ]; then + shift + cycle=`expr "$1" - 0` + elif [ "$1" = "--aamatrix" ]; then + shift + sbstmodel=" -b -1 " + aamatrix="$1" + elif [ "$1" = "--treein" ]; then + shift + treeinopt=" -U " + treein=1 + treeinfile="$1" + elif [ "$1" = "--topin" ]; then + shift + treeinopt=" -V " + treein=1 + treeinfile="$1" + echo "The --topin option has been disabled." 1>&2 + echo "There was a bug in version < 6.530." 1>&2 + echo "This bug has not yet been fixed." 1>&2 + exit 1 + elif [ "$1" = "--kappa" ]; then + shift + kappa=" -k $1 " + elif [ "$1" = "--fmodel" ]; then + fmodel=" -a " + elif [ "$1" = "--jtt" ]; then + shift + sbstmodel=" -j $1" + elif [ "$1" = "--kimura" ]; then + shift + sbstmodel=" -j $1" + elif [ "$1" = "--tm" ]; then + shift + sbstmodel=" -m $1" + elif [ "$1" = "--bl" ]; then + shift + sbstmodel=" -b $1" + elif [ "$1" = "--weighti" ]; then + shift + weighti="$1" + elif [ "$1" = "--weightr" ]; then + shift + weightr="$1" + elif [ "$1" = "--weightm" ]; then + shift + weightm="$1" + elif [ "$1" = "--rnaalifold" ]; then + rnaalifold=1 + elif [ "$1" = "--mccaskill" ]; then + mccaskill=1 + contrafold=0 + elif [ "$1" = "--contrafold" ]; then + mccaskill=0 + contrafold=1 + elif [ "$1" = "--ribosum" ]; then + rnascoremtx=" -s " + elif [ "$1" = "--op" ]; then + shift + gop="$1" + elif [ "$1" = "--ep" ]; then + shift + aof="$1" + elif [ "$1" = "--rop" ]; then + shift + rgop="$1" + elif [ "$1" = "--rep" ]; then + shift + rgep="$1" + elif [ "$1" = "--lop" ]; then + shift + lgop="$1" + elif [ "$1" = "--LOP" ]; then + shift + LGOP="$1" + elif [ "$1" = "--lep" ]; then + shift + laof="$1" + elif [ "$1" = "--lexp" ]; then + shift + lexp="$1" + elif [ "$1" = "--LEXP" ]; then + shift + LEXP="$1" + elif [ "$1" = "--GEXP" ]; then + shift + GEXP="$1" + elif [ "$1" = "--GOP" ]; then + shift + GGOP="$1" + elif [ "$1" = "--gop" ]; then + shift + pggop="$1" + elif [ "$1" = "--gep" ]; then + shift + pgaof="$1" + elif [ "$1" = "--gexp" ]; then + shift + pgexp="$1" + elif [ "$1" = "--laraparams" ]; then + shift + laraparams="$1" + elif [ "$1" = "--corethr" ]; then + shift + corethr="$1" + elif [ "$1" = "--corewin" ]; then + shift + corewin="$1" + elif [ "$1" = "--seedtable" ]; then + shift + seedtable="y" + seedtablefile="$1" + elif [ "$1" = "--seed" ]; then + shift + seed="m" + seedfiles="$seedfiles $1" + elif [ $progname = "fftns" -o $progname = "nwns" ]; then + if [ "$1" -gt 0 ]; then + cycle=`expr "$1" - 0` + fi + else + echo "Unknown option: $1" 1>&2 + er=1; + fi + shift + done; + + + +# TMPFILE=/tmp/$progname.$$ + TMPFILE=`mktemp -dt $progname.XXXXXXXXXX` + if [ $? -ne 0 ]; then + echo "mktemp seems to be obsolete. Re-trying without -t" 1>&2 + TMPFILE=`mktemp -d /tmp/$progname.XXXXXXXXXX` + fi + umask 077 +# mkdir $TMPFILE || er=1 + if [ $debug -eq 1 ]; then + trap "tar cfvz debuginfo.tgz $TMPFILE; rm -rf $TMPFILE " 0 + else + trap "rm -rf $TMPFILE " 0 + fi + if [ $# -eq 1 ]; then + if [ -r "$1" -o "$1" = - ]; then + + if [ -r "$addfile" ]; then + printf ''; + else + echo "$0": Cannot open "$addfile". 1>&2 + exit 1; + fi + + cat "$1" | tr "\r" "\n" > $TMPFILE/infile + echo "" >> $TMPFILE/infile + cat "$addfile" | tr "\r" "\n" | grep -v "^$" >> $TMPFILE/infile + cat "$addfile" | tr "\r" "\n" | grep -v "^$" > $TMPFILE/_addfile + cat "$aamatrix" | tr "\r" "\n" | grep -v "^$" > $TMPFILE/_aamtx + cat "$treeinfile" | tr "\r" "\n" | grep -v "^$" > $TMPFILE/_guidetree + cat "$seedtablefile" | tr "\r" "\n" | grep -v "^$" > $TMPFILE/_seedtablefile + cat "$laraparams" | tr "\r" "\n" | grep -v "^$" > $TMPFILE/_lara.params +# echo $seedfiles + infilename="$1" + seedfilesintmp="/dev/null" + seednseq="0" + set $seedfiles > /dev/null + while [ $# -gt 1 ]; + do + shift + if [ -r "$1" ]; then + cat "$1" | tr "\r" "\n" > $TMPFILE/seed$# + else + echo "$0": Cannot open "$1". 1>&2 + exit 1; + fi + seednseq=$seednseq" "`grep -c '^[>|=]' $TMPFILE/seed$#` + seedfilesintmp=$seedfilesintmp" "seed$# + done +# ls $TMPFILE +# echo $seedfilesintmp +# echo $seednseq + + + else + echo "$0": Cannot open "$1". 1>&2 + er=1 +# exit 1; + fi + else + echo '$#'"=$#" 1>&2 + er=1 + fi + + + if [ $os != "linux" ]; then + numthreads=0 + fi + + if [ $numthreads -eq 0 -a $parallelizationstrategy = "BESTFIRST" ]; then + echo 'Impossible' 1>&2; + exit 1; + fi + + if [ $auto -eq 1 ]; then + "$prefix/countlen" < $TMPFILE/infile > $TMPFILE/size + nseq=`awk '{print $1}' $TMPFILE/size` + nlen=`awk '{print $3}' $TMPFILE/size` + if [ $nlen -lt 2000 -a $nseq -lt 100 ]; then + distance="local" + iterate=1000 + elif [ $nlen -lt 10000 -a $nseq -lt 500 ]; then + distance="sixtuples" + iterate=2 + else + distance="sixtuples" + iterate=0 + fi + if [ $quiet -eq 0 ]; then + echo "nseq = " $nseq 1>&2 + echo "nlen = " $nlen 1>&2 + echo "distance = " $distance 1>&2 + echo "iterate = " $iterate 1>&2 + fi + fi + + if [ $parallelizationstrategy = "BESTFIRST" -o $parallelizationstrategy = "BAATARI0" ]; then + iteratelimit=254 + else + iteratelimit=16 + fi + if [ $iterate -gt $iteratelimit ]; then #?? + iterate=$iteratelimit + fi + + if [ $rnaalifold -eq 1 ]; then + rnaopt=" -e $rgep -o $rgop -c $weightm -r $weightr -R $rnascoremtx " +# rnaoptit=" -o $rgop -BT -c $weightm -r $weightr -R " + rnaoptit=" -o $rgop -F -c $weightm -r $weightr -R " + elif [ $mccaskill -eq 1 -o $contrafold -eq 1 ]; then + rnaopt=" -o $rgop -c $weightm -r $weightr " +# rnaoptit=" -e $rgep -o $rgop -BT -c $weightm -r $weightr $rnascoremtx " + rnaoptit=" -e $rgep -o $rgop -F -c $weightm -r $weightr $rnascoremtx " + else + rnaopt=" " + rnaoptit=" -F " + fi + + model="$sbstmodel $kappa $fmodel" + + if [ $er -eq 1 ]; then + echo "------------------------------------------------------------------------------" 1>&2 + echo " MAFFT" $version 1>&2 +# echo "" 1>&2 +# echo " Input format: fasta" 1>&2 +# echo "" 1>&2 +# echo " Usage: `basename $0` [options] inputfile > outputfile" 1>&2 + echo " http://mafft.cbrc.jp/alignment/software/" 1>&2 + echo " NAR 30:3059-3066 (2002), Briefings in Bioinformatics 9:286-298 (2008)" 1>&2 +# echo "------------------------------------------------------------------------------" 1>&2 +# echo " % mafft in > out" 1>&2 + echo "------------------------------------------------------------------------------" 1>&2 +# echo "" 1>&2 + echo "High speed:" 1>&2 + echo " % mafft in > out" 1>&2 + echo " % mafft --retree 1 in > out (fast)" 1>&2 + echo "" 1>&2 + echo "High accuracy (for <~200 sequences x <~2,000 aa/nt):" 1>&2 + echo " % mafft --maxiterate 1000 --localpair in > out (% linsi in > out is also ok)" 1>&2 + echo " % mafft --maxiterate 1000 --genafpair in > out (% einsi in > out)" 1>&2 + echo " % mafft --maxiterate 1000 --globalpair in > out (% ginsi in > out)" 1>&2 + echo "" 1>&2 + echo "If unsure which option to use:" 1>&2 + echo " % mafft --auto in > out" 1>&2 + echo "" 1>&2 +# echo "Other options:" 1>&2 + echo "--op # : Gap opening penalty, default: 1.53" 1>&2 + echo "--ep # : Offset (works like gap extension penalty), default: 0.0" 1>&2 + echo "--maxiterate # : Maximum number of iterative refinement, default: 0" 1>&2 + echo "--clustalout : Output: clustal format, default: fasta" 1>&2 + echo "--reorder : Outorder: aligned, default: input order" 1>&2 + echo "--quiet : Do not report progress" 1>&2 + echo "--thread # : Number of threads. (# must be <= number of physical cores - 1)" 1>&2 +# echo "" 1>&2 +# echo " % mafft --maxiterate 1000 --localpair in > out (L-INS-i)" 1>&2 +# echo " most accurate in many cases, assumes only one alignable domain" 1>&2 +# echo "" 1>&2 +# echo " % mafft --maxiterate 1000 --genafpair in > out (E-INS-i)" 1>&2 +# echo " works well if many unalignable residues exist between alignable domains" 1>&2 +# echo "" 1>&2 +# echo " % mafft --maxiterate 1000 --globalpair in > out (G-INS-i)" 1>&2 +# echo " suitable for globally alignable sequences " 1>&2 +# echo "" 1>&2 +# echo " % mafft --maxiterate 1000 in > out (FFT-NS-i)" 1>&2 +# echo " accurate and slow, iterative refinement method " 1>&2 +# echo "" 1>&2 +# echo "If the input sequences are long (~1,000,000nt)," 1>&2 +# echo " % mafft --retree 1 --memsave --fft in > out (FFT-NS-1-memsave, new in v5.8)" 1>&2 +# echo "" 1>&2 +# echo "If many (~5,000) sequences are to be aligned," 1>&2 +# echo "" 1>&2 +# echo " % mafft --retree 1 [--memsave] --nofft in > out (NW-NS-1, new in v5.8)" 1>&2 +# echo "" 1>&2 +# echo " --localpair : All pairwise local alignment information is included" 1>&2 +# echo " to the objective function, default: off" 1>&2 +# echo " --globalpair : All pairwise global alignment information is included" 1>&2 +# echo " to the objective function, default: off" 1>&2 +# echo " --op # : Gap opening penalty, default: $defaultgop " 1>&2 +# echo " --ep # : Offset (works like gap extension penalty), default: $defaultaof " 1>&2 +# echo " --bl #, --jtt # : Scoring matrix, default: BLOSUM62" 1>&2 +# echo " Alternatives are BLOSUM (--bl) 30, 45, 62, 80, " 1>&2 +# echo " or JTT (--jtt) # PAM. " 1>&2 +# echo " --nuc or --amino : Sequence type, default: auto" 1>&2 +# echo " --retree # : The number of tree building in progressive method " 1>&2 +# echo " (see the paper for detail), default: $defaultcycle " 1>&2 +# echo " --maxiterate # : Maximum number of iterative refinement, default: $defaultiterate " 1>&2 +# if [ $defaultfft -eq 1 ]; then +# echo " --fft or --nofft: FFT is enabled or disabled, default: enabled" 1>&2 +# else +# echo " --fft or --nofft: FFT is enabled or disabled, default: disabled" 1>&2 +# fi +# echo " --memsave: Memory saving mode" 1>&2 +# echo " (for long genomic sequences), default: off" 1>&2 +# echo " --clustalout : Output: clustal format, default: fasta" 1>&2 +# echo " --reorder : Outorder: aligned, default: input order" 1>&2 +# echo " --quiet : Do not report progress" 1>&2 +# echo "-----------------------------------------------------------------------------" 1>&2 + exit 1; + fi + if [ $sw -eq 1 ]; then + swopt=" -A " + else + swopt=" " + fi + + if [ $distance = "fasta" -o $partdist = "fasta" ]; then + if [ ! "$FASTA_4_MAFFT" ]; then + FASTA_4_MAFFT=`which fasta34` + fi + + if [ ! -x "$FASTA_4_MAFFT" ]; then + echo "" 1>&2 + echo "== Install FASTA ========================================================" 1>&2 + echo "This option requires the fasta34 program (FASTA version x.xx or higher)" 1>&2 + echo "installed in your PATH. If you have the fasta34 program but have renamed" 1>&2 + echo "(like /usr/local/bin/myfasta), set the FASTA_4_MAFFT environment variable" 1>&2 + echo "to point your fasta34 (like setenv FASTA_4_MAFFT /usr/local/bin/myfasta)." 1>&2 + echo "=========================================================================" 1>&2 + echo "" 1>&2 + exit 1 + fi + fi + if [ $distance = "lara" -o $distance = "slara" ]; then + if [ ! -x "$prefix/mafft_lara" ]; then + echo "" 1>&2 + echo "== Install LaRA =========================================================" 1>&2 + echo "This option requires LaRA (Bauer et al. http://www.planet-lisa.net/)." 1>&2 + echo "The executable have to be renamed to 'mafft_lara' and installed into " 1>&2 + echo "the $prefix directory. " 1>&2 + echo "A configuration file of LaRA also have to be given" 1>&2 + echo "mafft-xinsi --larapair --laraparams parameter_file" 1>&2 + echo "mafft-xinsi --slarapair --laraparams parameter_file" 1>&2 + echo "=========================================================================" 1>&2 + echo "" 1>&2 + exit 1 + fi + if [ ! -s "$laraparams" ]; then + echo "" 1>&2 + echo "== Configure LaRA =======================================================" 1>&2 + echo "A configuration file of LaRA have to be given" 1>&2 + echo "mafft-xinsi --larapair --laraparams parameter_file" 1>&2 + echo "mafft-xinsi --slarapair --laraparams parameter_file" 1>&2 + echo "=========================================================================" 1>&2 + echo "" 1>&2 + exit 1 + fi + fi + if [ $distance = "foldalignlocal" -o $distance = "foldalignglobal" ]; then + if [ ! -x "$prefix/foldalign210" ]; then + echo "" 1>&2 + echo "== Install FOLDALIGN ====================================================" 1>&2 + echo "This option requires FOLDALIGN (Havgaard et al. http://foldalign.ku.dk/)." 1>&2 + echo "The executable have to be renamed to 'foldalign210' and installed into " 1>&2 + echo "the $prefix directory. " 1>&2 + echo "=========================================================================" 1>&2 + echo "" 1>&2 + exit 1 + fi + fi + if [ $distance = "scarna" ]; then + if [ ! -x "$prefix/mxscarnamod" ]; then + echo "" 1>&2 + echo "== Install MXSCARNA ======================================================" 1>&2 + echo "MXSCARNA (Tabei et al. BMC Bioinformatics 2008 9:33) is required." 1>&2 + echo "Please 'make' at the 'extensions' directory of the MAFFT source package," 1>&2 + echo "which contains the modified version of MXSCARNA." 1>&2 + echo "http://align.bmr.kyushu-u.ac.jp/mafft/software/source.html " 1>&2 + echo "==========================================================================" 1>&2 + echo "" 1>&2 + exit 1 + fi + fi + if [ $mccaskill -eq 1 ]; then + if [ ! -x "$prefix/mxscarnamod" ]; then + echo "" 1>&2 + echo "== Install MXSCARNA ======================================================" 1>&2 + echo "MXSCARNA (Tabei et al. BMC Bioinformatics 2008 9:33) is required." 1>&2 + echo "Please 'make' at the 'extensions' directory of the MAFFT source package," 1>&2 + echo "which contains the modified version of MXSCARNA." 1>&2 + echo "http://align.bmr.kyushu-u.ac.jp/mafft/software/source.html " 1>&2 + echo "==========================================================================" 1>&2 + echo "" 1>&2 + exit 1 + fi + fi + if [ $contrafold -eq 1 ]; then + if [ ! -x "$prefix/contrafold" ]; then + echo "" 1>&2 + echo "== Install CONTRAfold ===================================================" 1>&2 + echo "This option requires CONTRAfold" 1>&2 + echo "(Do et al. http://contra.stanford.edu/contrafold/)." 1>&2 + echo "The executable 'contrafold' have to be installed into " 1>&2 + echo "the $prefix directory. " 1>&2 + echo "=========================================================================" 1>&2 + echo "" 1>&2 + exit 1 + fi + fi + +#old +# if [ $treeout -eq 1 ]; then +# parttreeoutopt="-t" +# if [ $cycle -eq 0 ]; then +# treeoutopt="-t -T" +# groupsize=1 +# iterate=0 +# if [ $distance = "global" -o $distance = "local" -o $distance = "localgenaf" -o $distance = "globalgenaf" ]; then +# distance="distonly" +# fi +# else +# treeoutopt="-t" +# fi +# else +# parttreeoutopt=" " +# if [ $cycle -eq 0 ]; then +# treeoutopt="-t -T" +# iterate=0 +# if [ $distance = "global" -o $distance = "local" -o $distance = "localgenaf" -o $distance = "globalgenaf" ]; then +# distance="distonly" +# fi +# else +# treeoutopt=" " +# fi +# fi + +#new + if [ $cycle -eq 0 ]; then + treeoutopt="-t -T" + iterate=0 + if [ $distance = "global" -o $distance = "local" -o $distance = "localgenaf" -o $distance = "globalgenaf" ]; then + distance="distonly" + fi + if [ $treeout -eq 1 ]; then + parttreeoutopt="-t" + groupsize=1 + else + parttreeoutopt=" " + fi + if [ $distout -eq 1 ]; then + distoutopt="-y -T" + fi + else + if [ $treeout -eq 1 ]; then + parttreeoutopt="-t" + treeoutopt="-t" + else + parttreeoutopt=" " + treeoutopt=" " + fi + if [ $distout -eq 1 ]; then + distoutopt="-y" + fi + fi +# + + formatcheck=`grep -c '^[[:blank:]]\+>' $TMPFILE/infile | head -1 ` + if [ $formatcheck -gt 0 ]; then + echo "The first character of a description line must be " 1>&2 + echo "the greater-than (>) symbol, not a blank." 1>&2 + echo "Please check the format around the following line(s):" 1>&2 + grep -n '^[[:blank:]]\+>' $TMPFILE/infile 1>&2 + exit 1 + fi + + nseq=`grep -c '^[>|=]' $TMPFILE/infile | head -1 ` + if [ $nseq -eq 2 ]; then + cycle=1 + fi + if [ $cycle -gt 3 ]; then + cycle=3 + fi + + if [ $nseq -gt 4000 -a $iterate -gt 1 ]; then + echo "Too many sequences to perform iterative refinement!" 1>&2 + echo "Please use a progressive method." 1>&2 + exit 1 + fi + + + if [ $distance = "sixtuples" -a \( $seed = "x" -a $seedtable = "x" \) ]; then + localparam=" " + elif [ $distance = "sixtuples" -a \( $seed != "x" -o $seedtable != "x" \) ]; then + if [ $cycle -lt 2 ]; then + cycle=2 # nazeda + fi + if [ $iterate -lt 2 ]; then + echo "############################################################################" 1>&2 + echo "# Warning:" 1>&2 + echo "# Progressive alignment method is incompatible with the --seed option." 1>&2 + echo "# Automatically switched to the iterative refinement method." 1>&2 + echo "# " 1>&2 + echo "# Also consider using the '--add' option, which is compatible with" 1>&2 + echo "# the progressive method and FASTER than the '--seed' option." 1>&2 + echo "# Usage is:" 1>&2 + echo "# % mafft --add newSequences existingAlignment > output" 1>&2 + echo "############################################################################" 1>&2 + iterate=2 + fi + localparam="-l "$weighti + elif [ $distance = "parttree" ]; then + localparam=" " + if [ $groupsize -gt -1 ]; then + cycle=1 + fi + else + localparam=" -l "$weighti + if [ $cycle -gt 1 ]; then # 09/01/08 + cycle=1 + fi + fi + + if [ $distance = "localgenaf" -o $distance = "globalgenaf" ]; then + aof="0.000" + fi + + if [ "$memopt" = " -M -B " -a "$distance" != "sixtuples" ]; then + echo "Impossible" 1>&2 + exit 1 + fi +#exit + + if [ $distance = "parttree" ]; then + if [ $seed != "x" -o $seedtable != "x" ]; then + echo "Impossible" 1>&2 + exit 1 + fi + if [ $iterate -gt 1 ]; then + echo "Impossible" 1>&2 + exit 1 + fi + if [ $outorder = "aligned" ]; then + outorder="input" + fi + outorder="input" # partorder ga kiku + if [ $partdist = "localalign" ]; then + splitopt=" -L " # -L -l -> fast + elif [ $partdist = "fasta" ]; then + splitopt=" -S " + else + splitopt=" " + fi + fi + + +# if [ $nseq -gt 5000 ]; then +# fft=0 +# fi + if [ $forcefft -eq 1 ]; then + param_fft=" -G " + fft=1 + elif [ $fft -eq 1 ]; then + param_fft=" -F " + else + param_fft=" " + fi + + if [ $seed != "x" -a $seedtable != "x" ]; then + echo 'Use either one of seedtable and seed. Not both.' 1>&2 + exit 1 + fi +# if [ $seedtable != "x" -a $anysymbol -gt 0 ]; then +# echo 'The combination of --seedtable and --anysymbol is not supported.' 1>&2 +# exit 1 +# fi + + if [ $treein -eq 1 ]; then +# if [ $iterate -gt 0 ]; then +# echo 'Not supported yet.' 1>&2 +# exit 1 +# fi + cycle=1 + fi + + if [ "$addarg0" != " " ]; then + "$prefix/countlen" < $TMPFILE/_addfile > $TMPFILE/addsize + nadd=`awk '{print $1}' $TMPFILE/addsize` + if [ $nadd -eq "0" ]; then + echo Check $addfile 1>&2 + exit 1; + fi + addarg="$addarg0 $nadd" + cycle=1 + iterate=0 + if [ $seed != "x" -o $seedtable != "x" ]; then + echo 'Impossible' 1>&2; + echo 'Use either ONE of --seed, --seedtable, --addprofile and --add.' 1>&2 + exit 1; + fi + fi + + if [ $mccaskill -eq 1 -o $rnaalifold -eq 1 -o $contrafold -eq 1 ]; then + if [ $distance = "sixtuples" ]; then + echo 'Not supported.' 1>&2 + echo 'Please add --globalpair, --localpair, --scarnapair,' 1>&2 + echo '--larapair, --slarapair, --foldalignlocalpair or --foldalignglobalpair' 1>&2 + exit 1 + fi + fi + + if [ $mccaskill -eq 1 -o $rnaalifold -eq 1 -o $contrafold -eq 1 ]; then + if [ $distance = "scarna" -o $distance = "lara" -o $distance = "slara" -o $distance = "foldalignlocal" -o $distance = "foldalignglobal" ]; then + strategy="X-I" + elif [ $distance = "global" -o $distance = "local" -o $distance = "localgenaf" -o "globalgenaf" ]; then + strategy="Q-I" + fi + elif [ $distance = "fasta" -a $sw -eq 0 ]; then + strategy="F-I" + elif [ $distance = "fasta" -a $sw -eq 1 ]; then + strategy="H-I" + elif [ $distance = "blast" ]; then + strategy="B-I" + elif [ $distance = "global" -o $distance = "distonly" ]; then + strategy="G-I" + elif [ $distance = "local" ]; then + strategy="L-I" + elif [ $distance = "localgenaf" ]; then + strategy="E-I" + elif [ $distance = "globalgenaf" ]; then + strategy="K-I" + elif [ $fft -eq 1 ]; then + strategy="FFT-" + else + strategy="NW-" + fi + strategy=$strategy"NS-" + if [ $iterate -gt 0 ]; then + strategy=$strategy"i" + elif [ $distance = "parttree" ]; then + if [ $partdist = "fasta" ]; then + strategy=$strategy"FastaPartTree-"$cycle + elif [ $partdist = "localalign" ]; then + strategy=$strategy"DPPartTree-"$cycle + else + strategy=$strategy"PartTree-"$cycle + fi + else + strategy=$strategy$cycle + fi + + explanation='?' + performance='Not tested.' + if [ $strategy = "F-INS-i" ]; then + explanation='Iterative refinement method (<'$iterate') with LOCAL pairwise alignment information' + performance='Most accurate, but very slow' + elif [ $strategy = "L-INS-i" ]; then + explanation='Iterative refinement method (<'$iterate') with LOCAL pairwise alignment information' + performance='Probably most accurate, very slow' + elif [ $strategy = "E-INS-i" ]; then + explanation='Iterative refinement method (<'$iterate') with LOCAL pairwise alignment with generalized affine gap costs (Altschul 1998)' + performance='Suitable for sequences with long unalignable regions, very slow' + elif [ $strategy = "G-INS-i" ]; then + explanation='Iterative refinement method (<'$iterate') with GLOBAL pairwise alignment information' + performance='Suitable for sequences of similar lengths, very slow' + elif [ $strategy = "X-INS-i" ]; then + explanation='RNA secondary structure information is taken into account.' + performance='For short RNA sequences only, extremely slow' + elif [ $strategy = "F-INS-1" ]; then + explanation='Progressive method incorporating LOCAL pairwise alignment information' + elif [ $strategy = "L-INS-1" ]; then + explanation='Progressive method incorporating LOCAL pairwise alignment information' + elif [ $strategy = "G-INS-1" ]; then + explanation='Progressive method incorporating GLOBAL pairwise alignment information' + elif [ $strategy = "FFT-NS-i" -o $strategy = "NW-NS-i" ]; then + explanation='Iterative refinement method (max. '$iterate' iterations)' + if [ $iterate -gt 2 ]; then + performance='Accurate but slow' + else + performance='Standard' + fi + elif [ $strategy = "FFT-NS-2" -o $strategy = "NW-NS-2" ]; then + explanation='Progressive method (guide trees were built '$cycle' times.)' + performance='Fast but rough' + elif [ $strategy = "FFT-NS-1" -o $strategy = "NW-NS-1" ]; then + explanation='Progressive method (rough guide tree was used.)' + performance='Very fast but very rough' + fi + + if [ $outputformat = "clustal" -a $outorder = "aligned" ]; then + outputopt=" -c $strategy -r $TMPFILE/order " + elif [ $outputformat = "clustal" -a $outorder = "input" ]; then + outputopt=" -c $strategy " + elif [ $outputformat = "phylip" -a $outorder = "aligned" ]; then + outputopt=" -y -r $TMPFILE/order " + elif [ $outputformat = "phylip" -a $outorder = "input" ]; then + outputopt=" -y " + elif [ $outputformat = "pir" -a $outorder = "aligned" ]; then + outputopt=" -f -r $TMPFILE/order " + else + outputopt="null" + fi + + ( + cd $TMPFILE; + + if [ $quiet -gt 0 ]; then + + if [ $anysymbol -eq 1 ]; then + mv infile orig + "$prefix/replaceu" -i orig > infile 2>/dev/null || exit 1 + fi + + if [ $seed != "x" ]; then + mv infile infile2 + if [ $anysymbol -eq 1 ]; then + mv orig orig2 + cat /dev/null > orig + fi + cat /dev/null > infile + cat /dev/null > hat3.seed + seedoffset=0 +# echo "seednseq="$seednseq +# echo "seedoffset="$seedoffset + set $seednseq > /dev/null +# echo $# + while [ $# -gt 1 ] + do + shift +# echo "num="$# + + if [ $anysymbol -eq 1 ]; then + cat seed$# >> orig + "$prefix/replaceu" -i seed$# -o $seedoffset > clean 2>/dev/null || exit 1 + mv clean seed$# + fi + "$prefix/multi2hat3s" -t $nseq -o $seedoffset -i seed$# >> infile 2>/dev/null || exit 1 + cat hat3 >> hat3.seed +# echo "$1" + seedoffset=`expr $seedoffset + $1` +# echo "$1" +# echo "seedoffset="$seedoffset + done; +# echo "seedoffset="$seedoffset + if [ $anysymbol -eq 1 ]; then + "$prefix/replaceu" -i orig2 -o $seedoffset >> infile 2>/dev/null || exit 1 # yarinaoshi + cat orig2 >> orig + else + cat infile2 >> infile + fi + elif [ $seedtable != "x" ]; then + cat _seedtablefile > hat3.seed + else + cat /dev/null > hat3.seed + fi +# cat hat3.seed + + + if [ $mccaskill -eq 1 ]; then + "$prefix/mccaskillwrap" -C $numthreads -d "$prefix" -i infile > hat4 2>/dev/null || exit 1 + elif [ $contrafold -eq 1 ]; then + "$prefix/contrafoldwrap" -d "$prefix" -i infile > hat4 2>/dev/null || exit 1 + fi + if [ $distance = "fasta" ]; then + "$prefix/dndfast7" $swopt < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "blast" ]; then + "$prefix/dndblast" < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "foldalignlocal" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $foldalignopt $model -g $lexp -f $lgop -h $laof -H -d "$prefix" < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "foldalignglobal" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $foldalignopt $model -g $pgexp -f $pggop -h $pgaof -H -o -global -d "$prefix" < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "slara" ]; then + "$prefix/pairlocalalign" -C $numthreads -p $laraparams $seqtype $model -f $lgop -T -d "$prefix" < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "lara" ]; then + "$prefix/pairlocalalign" -C $numthreads -p $laraparams $seqtype $model -f $lgop -B -d "$prefix" < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "scarna" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -f $pggop -s -d "$prefix" < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "global" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $pgexp -f $pggop -h $pgaof -F < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "local" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $lexp -f $lgop -h $laof -L < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "globalgenaf" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $pgexp -f $pggop -h $pgaof -O $GGOP -E $GEXP -K < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "localgenaf" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $lexp -f $lgop -h $laof -O $LGOP -E $LEXP -N < infile > /dev/null 2>&1 || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "distonly" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $pgexp -f $pggop -h $pgaof -t < infile > /dev/null 2>&1 || exit 1 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "parttree" ]; then + "$prefix/splittbfast" -Q $splitopt $partorderopt $parttreeoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft -p $partsize -s $groupsize $treealg -i infile > pre 2>/dev/null || exit 1 + mv hat3.seed hat3 + else + "$prefix/disttbfast" -O $outnum $addarg -C $numthreads $memopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $algopt $treealg $scoreoutarg < infile > pre 2>/dev/null || exit 1 + mv hat3.seed hat3 + fi + while [ $cycle -gt 1 ] + do + if [ $distance = "parttree" ]; then + mv pre infile + "$prefix/splittbfast" -Z -Q $splitopt $partorderopt $parttreeoutopt $memopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft -p $partsize -s $groupsize $treealg -i infile > pre 2>/dev/null || exit 1 + else + "$prefix/tbfast" -O $outnum -C $numthreads $rnaopt $weightopt $treeoutopt $distoutopt $memopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt -J $treealg $scoreoutarg < pre > /dev/null 2>&1 || exit 1 + fi + cycle=`expr $cycle - 1` + done + if [ $iterate -gt 0 ]; then + if [ $distance = "sixtuples" ]; then + "$prefix/dndpre" -C $numthreads < pre > /dev/null 2>&1 || exit 1 + fi + "$prefix/dvtditr" -C $numthreads -t $randomseed $rnaoptit $memopt $scorecalcopt $localparam -z 50 $seqtype $model -f "-"$gop -h "-"$aof -I $iterate $weightopt $treeinopt $algoptit $treealg -p $parallelizationstrategy $scoreoutarg < pre > /dev/null 2>&1 || exit 1 + fi + else + + if [ $anysymbol -eq 1 ]; then + mv infile orig + "$prefix/replaceu" -i orig > infile || exit 1 + fi + + if [ $seed != "x" ]; then + mv infile infile2 + if [ $anysymbol -eq 1 ]; then + mv orig orig2 + cat /dev/null > orig + fi + cat /dev/null > infile + cat /dev/null > hat3.seed + seedoffset=0 +# echo "seednseq="$seednseq +# echo "seedoffset="$seedoffset + set $seednseq > /dev/null +# echo $# + while [ $# -gt 1 ] + do + shift +# echo "num="$# + + if [ $anysymbol -eq 1 ]; then + cat seed$# >> orig + "$prefix/replaceu" -i seed$# -o $seedoffset > clean || exit 1 + mv clean seed$# + fi + "$prefix/multi2hat3s" -t $nseq -o $seedoffset -i seed$# >> infile || exit 1 + cat hat3 >> hat3.seed +# echo "$1" + seedoffset=`expr $seedoffset + $1` +# echo "$1" +# echo "seedoffset="$seedoffset + done; +# echo "seedoffset="$seedoffset + if [ $anysymbol -eq 1 ]; then + "$prefix/replaceu" -i orig2 -o $seedoffset >> infile || exit 1 # yarinaoshi + cat orig2 >> orig + else + cat infile2 >> infile + fi + elif [ $seedtable != "x" ]; then + cat _seedtablefile > hat3.seed + else + cat /dev/null > hat3.seed + fi +# cat hat3.seed + + if [ $mccaskill -eq 1 ]; then + "$prefix/mccaskillwrap" -C $numthreads -d "$prefix" -i infile > hat4 || exit 1 + elif [ $contrafold -eq 1 ]; then + "$prefix/contrafoldwrap" -d "$prefix" -i infile > hat4 || exit 1 + fi + if [ $distance = "fasta" ]; then + "$prefix/dndfast7" $swopt < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null || exit 1 + elif [ $distance = "blast" ]; then + "$prefix/dndblast" < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null || exit 1 + elif [ $distance = "foldalignlocal" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $foldalignopt $model -g $lexp -f $lgop -h $laof -H -d "$prefix" < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "foldalignglobal" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $foldalignopt $model -g $pgexp -f $pggop -h $pgaof -H -o -global -d "$prefix" < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "slara" ]; then + "$prefix/pairlocalalign" -C $numthreads -p $laraparams $seqtype $model -f $lgop -T -d "$prefix" < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "lara" ]; then + "$prefix/pairlocalalign" -C $numthreads -p $laraparams $seqtype $model -f $lgop -B -d "$prefix" < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "scarna" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -f $pggop -s -d "$prefix" < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "global" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $pgexp -f $pggop -h $pgaof -F < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null || exit 1 + elif [ $distance = "local" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $lexp -f $lgop -h $laof -L < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null || exit 1 + elif [ $distance = "globalgenaf" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $pgexp -f $pggop -h $pgaof -O $GGOP -E $GEXP -K < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null || exit 1 + elif [ $distance = "localgenaf" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $lexp -f $lgop -h $laof -O $LGOP -E $LEXP -N < infile > /dev/null || exit 1 + cat hat3.seed hat3 > hatx + mv hatx hat3 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null || exit 1 + elif [ $distance = "distonly" ]; then + "$prefix/pairlocalalign" -C $numthreads $seqtype $model -g $pgexp -f $pggop -h $pgaof -t < infile > /dev/null || exit 1 + "$prefix/tbfast" $outnum $addarg -C $numthreads $rnaopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt $treealg $scoreoutarg < infile > /dev/null || exit 1 + elif [ $distance = "parttree" ]; then + "$prefix/splittbfast" -Q $splitopt $partorderopt $parttreeoutopt $memopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft -p $partsize -s $groupsize $treealg -i infile > pre || exit 1 + mv hat3.seed hat3 + else + "$prefix/disttbfast" -O $outnum $addarg -C $numthreads $memopt $weightopt $treeinopt $treeoutopt $distoutopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $algopt $treealg $scoreoutarg < infile > pre || exit 1 + mv hat3.seed hat3 + fi + + while [ $cycle -gt 1 ] + do + if [ $distance = "parttree" ]; then + mv pre infile + "$prefix/splittbfast" -Z -Q $splitopt $partorderopt $parttreeoutopt $memopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft -p $partsize -s $groupsize $treealg -i infile > pre || exit 1 + else + "$prefix/tbfast" -O $outnum -C $numthreads $rnaopt $weightopt $treeoutopt $distoutopt $memopt $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam $algopt -J $treealg $scoreoutarg < pre > /dev/null || exit 1 + fi + cycle=`expr $cycle - 1` + done + if [ $iterate -gt 0 ]; then + if [ $distance = "sixtuples" ]; then + "$prefix/dndpre" -C $numthreads < pre > /dev/null 2>&1 || exit 1 + fi + "$prefix/dvtditr" -C $numthreads -t $randomseed $rnaoptit $memopt $scorecalcopt $localparam -z 50 $seqtype $model -f "-"$gop -h "-"$aof -I $iterate $weightopt $treeinopt $algoptit $treealg -p $parallelizationstrategy $scoreoutarg < pre > /dev/null || exit 1 + fi + fi + + if [ $coreout -eq 1 ]; then + "$prefix/setcore" -w $corewin -i $corethr $coreext < pre > pre2 + mv pre2 pre + elif [ $anysymbol -eq 1 ]; then + "$prefix/restoreu" -a pre -i orig > restored || exit 1 + mv restored pre + fi + + if [ $quiet -eq 0 ]; then + echo '' 1>&2 + if [ $mccaskill -eq 1 ]; then + echo "RNA base pairing probaility was calculated by the McCaskill algorithm (1)" 1>&2 + echo "implemented in Vienna RNA package (2) and MXSCARNA (3), and then" 1>&2 + echo "incorporated in the iterative alignment process (4)." 1>&2 + echo "(1) McCaskill, 1990, Biopolymers 29:1105-1119" 1>&2 + echo "(2) Hofacker et al., 2002, J. Mol. Biol. 319:3724-3732" 1>&2 + echo "(3) Tabei et al., 2008, BMC Bioinformatics 9:33" 1>&2 + echo "(4) Katoh and Toh, 2008, BMC Bioinformatics 9:212" 1>&2 + echo "" 1>&2 + elif [ $contrafold -eq 1 ]; then + echo "RNA base pairing probaility was calculated by the CONTRAfold algorithm (1)" 1>&2 + echo "and then incorporated in the iterative alignment process (4)." 1>&2 + echo "(1) Do et al., 2006, Bioinformatics 22:e90-98" 1>&2 + echo "(2) Katoh and Toh, 2008, BMC Bioinformatics 9:212" 1>&2 + echo "" 1>&2 + fi + if [ $distance = "fasta" -o $partdist = "fasta" ]; then + echo "Pairwise alignments were computed by FASTA" 1>&2 + echo "(Pearson & Lipman, 1988, PNAS 85:2444-2448)" 1>&2 + fi + if [ $distance = "blast" ]; then + echo "Pairwise alignments were computed by BLAST" 1>&2 + echo "(Altschul et al., 1997, NAR 25:3389-3402)" 1>&2 + fi + if [ $distance = "scarna" ]; then + echo "Pairwise alignments were computed by MXSCARNA" 1>&2 + echo "(Tabei et al., 2008, BMC Bioinformatics 9:33)." 1>&2 + fi + if [ $distance = "lara" -o $distance = "slara" ]; then + echo "Pairwise alignments were computed by LaRA" 1>&2 + echo "(Bauer et al., 2007, BMC Bioinformatics 8:271)." 1>&2 + fi + if [ $distance = "foldalignlocal" ]; then + echo "Pairwise alignments were computed by FOLDALIGN (local)" 1>&2 + echo "(Havgaard et al., 2007, PLoS Computational Biology 3:e193)." 1>&2 + fi + if [ $distance = "foldalignglobal" ]; then + echo "Pairwise alignments were computed by FOLDALIGN (global)" 1>&2 + echo "(Havgaard et al., 2007, PLoS Computational Biology 3:e193)." 1>&2 + fi + printf "\n" 1>&2 + echo 'Strategy:' 1>&2 + printf ' '$strategy 1>&2 + echo ' ('$performance')' 1>&2 + echo ' '$explanation 1>&2 + echo '' 1>&2 + echo "If unsure which option to use, try 'mafft --auto input > output'." 1>&2 +# echo "If long gaps are expected, try 'mafft --ep 0.0 --auto input > output'." 1>&2 + echo "If the possibility of long gaps can be excluded, add '--ep 0.123'." 1>&2 + echo "For more information, see 'mafft --help', 'mafft --man' and the mafft page." 1>&2 + echo '' 1>&2 + fi + ) + + if [ "$outputfile" = "" ]; then + if [ "$outputopt" = "null" ]; then + cat < $TMPFILE/pre || exit 1 + else + "$prefix/f2cl" -n $namelength $outputopt < $TMPFILE/pre || exit 1 + fi + else + if [ "$outputopt" = "null" ]; then + cat < $TMPFILE/pre > "$outputfile" || exit 1 + else + "$prefix/f2cl" -n $namelength $outputopt < $TMPFILE/pre > "$outputfile" || exit 1 + fi + fi + + if [ $treeout -eq 1 ]; then + cp $TMPFILE/infile.tree "$infilename.tree" + fi + + if [ $distout -eq 1 ]; then + cp $TMPFILE/hat2 "$infilename.hat2" + fi + + exit 0; +fi + +prog="awk" + +tmpawk=`which nawk 2>/dev/null | awk '{print $1}'` +if [ -x "$tmpawk" ]; then + prog="$tmpawk" +fi + +tmpawk=`which gawk 2>/dev/null | awk '{print $1}'` +if [ -x "$tmpawk" ]; then + prog="$tmpawk" +fi + +#echo "prog="$prog 1>&2 + +umask 077 +( +$prog ' +BEGIN { + prefix = ENVIRON["prefix"]; + version = ENVIRON["version"]; + myself = ENVIRON["myself"]; + while( 1 ) + { + options = "" + printf( "\n" ) > "/dev/tty"; + printf( "---------------------------------------------------------------------\n" ) > "/dev/tty"; + printf( "\n" ) > "/dev/tty"; + printf( " MAFFT %s\n", version ) > "/dev/tty"; + printf( "\n" ) > "/dev/tty"; + printf( " Copyright (c) 2011 Kazutaka Katoh\n" ) > "/dev/tty"; + printf( " NAR 30:3059-3066, NAR 33:511-518\n" ) > "/dev/tty"; + printf( " http://mafft.cbrc.jp/alignment/software/\n" ) > "/dev/tty"; + printf( "---------------------------------------------------------------------\n" ) > "/dev/tty"; + printf( "\n" ) > "/dev/tty"; + + while( 1 ) + { + printf( "\n" ) > "/dev/tty"; + printf( "Input file? (fasta format)\n@ " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ) + if( res == 0 || NF == 0 ) + continue; + infile = sprintf( "%s", $0 ); + + res = getline < infile; + close( infile ); + if( res == -1 ) + { + printf( "%s: No such file.\n\n", infile ) > "/dev/tty"; + printf( "Filename extension (eg., .txt) must be typed, if any.\n\n" ) > "/dev/tty"; + } + else if( res == 0 ) + printf( "%s: Empty.\n", infile ) > "/dev/tty"; + else + { + printf( "OK. infile = %s\n\n", infile ) > "/dev/tty"; + break; + } + } + nseq = 0; + + while( 1 ) + { + printf( "\n" ) > "/dev/tty"; + printf( "Output file?\n" ) > "/dev/tty"; + printf( "@ " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 || NF == 0 ) + continue; + else + { + outfile = sprintf( "%s", $0 ); + printf( "OK. outfile = %s\n\n", outfile ) > "/dev/tty"; + break; + } + } + + while( 1 ) + { + outargs = ""; + printf( "\n" ) > "/dev/tty"; + printf( "Output format?\n" ) > "/dev/tty"; + printf( " 1. Clustal format / Sorted\n" ) > "/dev/tty"; + printf( " 2. Clustal format / Input order\n" ) > "/dev/tty"; + printf( " 3. Fasta format / Sorted\n" ) > "/dev/tty"; + printf( " 4. Fasta format / Input order\n" ) > "/dev/tty"; + printf( " 5. Phylip format / Sorted\n" ) > "/dev/tty"; + printf( " 6. Phylip format / Input order\n" ) > "/dev/tty"; + printf( "@ " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); +# printf( "res=%d, NF=%d\n", res, NF ); + + resnum = 0 + $1; +# printf( "resnum=%d\n", resnum ); + + if( resnum < 1 || 6 < resnum ) + continue; + else + { + if( resnum == 1 ) + outargs = "--clustalout --reorder"; + else if( resnum == 2 ) + outargs = "--clustalout --inputorder"; + else if( resnum == 3 ) + outargs = "--reorder"; + else if( resnum == 4 ) + outargs = "--inputorder"; + else if( resnum == 5 ) + outargs = "--phylipout --reorder"; + else if( resnum == 6 ) + outargs = "--phylipout --inputorder"; + else + continue; + printf( "OK. arguments = %s\n\n", outargs ) > "/dev/tty"; + break; + } + } + + while( 1 ) + { + arguments = ""; + printf( "\n" ) > "/dev/tty"; + printf( "Strategy?\n" ) > "/dev/tty"; + printf( " 1. --auto\n" ) > "/dev/tty"; + printf( " 2. FFT-NS-1 (fast)\n" ) > "/dev/tty"; + printf( " 3. FFT-NS-2 (default)\n" ) > "/dev/tty"; + printf( " 4. G-INS-i (accurate)\n" ) > "/dev/tty"; + printf( " 5. L-INS-i (accurate)\n" ) > "/dev/tty"; + printf( " 6. E-INS-i (accurate)\n" ) > "/dev/tty"; + printf( "@ " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); +# printf( "res=%d, NF=%d\n", res, NF ); + + resnum = 0 + $1; +# printf( "resnum=%d\n", resnum ); + + if( resnum < 1 || 6 < resnum ) + continue; + else + { + if( resnum == 1 ) + arguments = "--auto"; + else if( resnum == 2 ) + arguments = "--retree 1"; + else if( resnum == 3 ) + arguments = "--retree 2"; + else if( resnum == 4 ) + arguments = "--globalpair --maxiterate 16"; + else if( resnum == 5 ) + arguments = "--localpair --maxiterate 16"; + else if( resnum == 6 ) + arguments = "--genafpair --maxiterate 16"; + else + arguments = sprintf( "%s", $0 ); + printf( "OK. arguments = %s %s\n\n", arguments, outargs ) > "/dev/tty"; + break; + } + } + + + while( 1 ) + { + printf( "\n" ) > "/dev/tty"; + printf( "Additional arguments? (--ep #, --op #, --kappa #, etc)\n" ) > "/dev/tty"; + printf( "@ " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 || NF == 0 ) + { + break; + } + else + { + addargs = sprintf( "%s", $0 ); + printf( "OK. arguments = %s %s %s\n\n", addargs, arguments, outargs ) > "/dev/tty"; + break; + } + } + + arguments = sprintf( "%s %s %s", addargs, arguments, outargs ); + + print "" + command = sprintf( "\"%s\" %s \"%s\" > \"%s\"", myself, arguments, infile, outfile ); + gsub( /\\/, "/", command ); + + + printf( "command=\n%s\n", command ) > "/dev/tty"; + + + while( 1 ) + { + go = 0; + printf( "OK?\n" ) > "/dev/tty"; + printf( "@ [Y] " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 ) + continue; + else if( NF == 0 || $0 ~ /^[Yy]/ ) + { + go=1; + break; + } + else + break; + } + if( go ) break; + printf( "\n" ) > "/dev/tty"; + printf( "\n" ) > "/dev/tty"; + } + system( command ); + command = sprintf( "less \"%s\"", outfile ); + system( command ); + printf( "Press Enter to exit." ) > "/dev/tty"; + res = getline < "/dev/tty"; +} +' +) +exit 0; diff --git a/binaries/src/mafft/core/mafft.tmpl.subopt b/binaries/src/mafft/core/mafft.tmpl.subopt new file mode 100644 index 0000000..9096897 --- /dev/null +++ b/binaries/src/mafft/core/mafft.tmpl.subopt @@ -0,0 +1,788 @@ +#! /bin/sh +er=0; +myself=`dirname $0`/`basename $0`; export myself +version="version 6.00 (2005/05/01)"; export version +LANG=C; export LANG +os=`uname` +progname=`basename $0` +if [ `echo $os | grep -i cygwin` ]; then + os="cygwin" +elif [ `echo $os | grep -i darwin` ]; then + os="darwin" +elif [ `echo $os | grep -i sunos` ]; then + os="sunos" +else + os="unix" +fi +export os + +if [ $MAFFT_BINARIES ]; then + prefix=$MAFFT_BINARIES +else + prefix=_PREFIX +fi +export prefix +if [ ! -x $prefix/tbfast ]; then + echo "" + echo "correctly installed?" 2>&1 + echo "mafft binaries have to be installed in" $prefix. + echo "" + exit 1 + er=1 +fi + +defaultiterate=0 +defaultcycle=2 +defaultmodel=" -b 62 " +defaultgop="1.53" +defaultaof="0.123" +defaultfft=1 +defaultrough=0 +defaultdistance="sixtuples" +if [ $progname = "linsi" ]; then + defaultfft=0 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="local" +elif [ $progname = "ginsi" ]; then + defaultfft=1 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="global" +elif [ $progname = "einsi" ]; then + defaultfft=0 + defaultcycle=1 + defaultiterate=1000 + defaultdistance="genaf" +elif [ $progname = "fftns" ]; then + defaultfft=1 + defaultcycle=2 +elif [ $progname = "fftnsi" ]; then + defaultfft=1 + defaultcycle=2 + defaultiterate=2 +elif [ $progname = "nwns" ]; then + defaultfft=0 + defaultcycle=2 +elif [ $progname = "nwnsi" ]; then + defaultfft=0 + defaultcycle=2 + defaultiterate=2 +fi +model=$defaultmodel +gop=$defaultgop +aof=$defaultaof +cycle=$defaultcycle +iterate=$defaultiterate +fft=$defaultfft +rough=$defaultrough +distance=$defaultdistance +LGOP="-6.00" +LEXP="-0.000" +lgop="-2.00" +lexp="-0.100" +laof="0.100" +seqtype=" " +param_it=" -x " +weighti="2.7" +quiet=0 +sw=0 +scorecalcopt=" " +coreout=0 +corethr="0.5" +corewin="100" +coreext=" " +outputformat="pir" +outorder="input" +if [ $# -gt 0 ]; then + while [ $# -gt 1 ]; + do + if [ $1 = "--clustalout" ]; then + outputformat="clustal" + elif [ $1 = "--reorder" ]; then + outorder="aligned" + elif [ $1 = "--rough" ]; then + rough=1 + elif [ $1 = "--noscore" ]; then + scorecalcopt=" -Z " + elif [ $1 = "--fastswpair" ]; then + distance="fasta" + sw=1 + elif [ $1 = "--fastapair" ]; then + distance="fasta" + sw=0 + elif [ $1 = "--suboptpair" ]; then + distance="subopt" + elif [ $1 = "--blastpair" ]; then + distance="blast" + elif [ $1 = "--globalpair" ]; then + distance="global" + elif [ $1 = "--localpair" ]; then + distance="local" + elif [ $1 = "--genafpair" ]; then + distance="genaf" + elif [ $1 = "--nuc" ]; then + seqtype=" -D " + elif [ $1 = "--amino" ]; then + seqtype=" -P " + elif [ $1 = "--fft" ]; then + fft=1 + elif [ $1 = "--nofft" ]; then + fft=0 + elif [ $1 = "--quiet" ]; then + quiet=1 + elif [ $1 = "--nj" ]; then + param_it=" -n " + elif [ $1 = "--coreext" ]; then + coreext=" -c " + elif [ $1 = "--core" ]; then + coreout=1 + elif [ $1 = "--maxiterate" ]; then + shift + iterate=`expr $1 - 0` + elif [ $1 = "--retree" ]; then + shift + cycle=`expr $1 - 0` || er=1 + elif [ $1 = "--jtt" ]; then + shift + model=" -j "$1 + elif [ $1 = "--tm" ]; then + shift + model=" -m "$1 + elif [ $1 = "--bl" ]; then + shift + model=" -b "$1 + elif [ $1 = "--weighti" ]; then + shift + weighti=$1 + elif [ $1 = "--op" ]; then + shift + gop=$1 + elif [ $1 = "--ep" ]; then + shift + aof=$1 + elif [ $1 = "--lop" ]; then + shift + lgop=$1 + elif [ $1 = "--LOP" ]; then + shift + LGOP=$1 + elif [ $1 = "--lep" ]; then + shift + laof=$1 + elif [ $1 = "--lexp" ]; then + shift + lexp=$1 + elif [ $1 = "--LEXP" ]; then + shift + LEXP=$1 + elif [ $1 = "--corethr" ]; then + shift + corethr=$1 + elif [ $1 = "--corewin" ]; then + shift + corewin=$1 + elif [ $1 -gt 0 -a $progname = "fftns" -o $1 -gt 0 -a $progname = "nwns" ]; then + cycle=`expr $1 - 0` + else + echo "Unknown option: " $1 2>&1 + er=1; + fi + shift + done; + if [ $fft -eq 1 ]; then + param_fft=" -F " + else + param_fft=" " + fi + if [ $sw -eq 1 ]; then + swopt=" -A " + else + swopt=" " + fi + + if [ $distance = "fasta" ]; then + if [ ! $FASTA_4_MAFFT ]; then + FASTA_4_MAFFT=`which fasta34` + fi + + if [ ! -x $FASTA_4_MAFFT ]; then + echo "" + echo "== Install FASTA ========================================================" + echo "This option requires the fasta34 program (FASTA version x.xx or higher)" + echo "installed in your PATH. If you have the fasta34 program but have renamed" + echo "(like /usr/local/bin/myfasta), set the FASTA_4_MAFFT environment variable" + echo "to point your fasta34 (like setenv FASTA_4_MAFFT /usr/local/bin/myfasta)." + echo "=========================================================================" + echo "" + exit + fi + fi + if [ $distance = "sixtuples" ]; then + localparam=" " + else + cycle=1 + localparam=" -l "$weighti + fi + + if [ $distance = "fasta" -a $sw -eq 0 ]; then + strategy="F-I" + elif [ $distance = "fasta" -a $sw -eq 1 ]; then + strategy="H-I" + elif [ $distance = "subopt" ]; then + strategy="S-I" + elif [ $distance = "blast" ]; then + strategy="B-I" + elif [ $distance = "global" ]; then + strategy="G-I" + elif [ $distance = "local" ]; then + strategy="L-I" + elif [ $distance = "genaf" ]; then + strategy="E-I" + elif [ $fft -eq 1 ]; then + strategy="FFT-" + else + strategy="NW-" + fi + strategy=$strategy"NS-" + if [ $iterate -gt 0 ]; then + strategy=$strategy"i" + elif [ $rough -eq 1 ]; then + strategy=$strategy"ROUGH" + else + strategy=$strategy$cycle + fi + + explanation='?' + performance='Not tested.' + if [ $strategy = "F-INS-i" ]; then + explanation='Iterative refinement method incorporating LOCAL pairwise alignment information' + performance='Most accurate, but very slow' + elif [ $strategy = "L-INS-i" ]; then + explanation='Iterative refinement method incorporating LOCAL pairwise alignment information' + performance='Probably most accurate, very slow' + elif [ $strategy = "E-INS-i" ]; then + explanation='Iterative refinement method incorporating LOCAL pairwise alignment with generalized affine gap costs (Altshul 1998)' + performance='Suitable for sequences with long unalignable regions, very slow' + elif [ $strategy = "G-INS-i" ]; then + explanation='Iterative refinement method incorporating GLOBAL pairwise alignment information' + performance='Suitable for sequences of similar lengths, very slow' + elif [ $strategy = "F-INS-1" ]; then + explanation='Progressive method incorporating LOCAL pairwise alignment information' + elif [ $strategy = "L-INS-1" ]; then + explanation='Progressive method incorporating LOCAL pairwise alignment information' + elif [ $strategy = "G-INS-1" ]; then + explanation='Progressive method incorporating GLOBAL pairwise alignment information' + elif [ $strategy = "FFT-NS-i" -o $strategy = "NW-NS-i" ]; then + explanation='Iterative refinement method (max. '$iterate' iterations)' + if [ $iterate -gt 2 ]; then + performance='Accurate but slow' + else + performance='Standard' + fi + elif [ $strategy = "FFT-NS-2" -o $strategy = "NW-NS-2" ]; then + explanation='Progressive method (guide trees were built '$cycle' times.)' + performance='Fast but rough' + elif [ $strategy = "FFT-NS-1" -o $strategy = "NW-NS-1" ]; then + explanation='Progressive method (rough guide tree was used.)' + performance='Very fast but very rough' + fi + + if [ $outputformat = "clustal" -a $outorder = "aligned" ]; then + outputcommand="$prefix/f2cl -c $strategy -r order " + elif [ $outputformat = "clustal" -a $outorder = "input" ]; then + outputcommand="$prefix/f2cl -c $strategy " + elif [ $outputformat = "pir" -a $outorder = "aligned" ]; then + outputcommand="$prefix/f2cl -f -r order " + else + outputcommand=" cat " + fi + + TMPFILE=/tmp/`basename $0`.`whoami`.$$.`date +%y%m%d%H%M%S` + TMPFILE=/tmp/$progname.$$ + umask 077 + mkdir $TMPFILE || er=1 + trap "rm -r $TMPFILE " 0 + if [ $# -eq 1 ]; then + if [ -s "$1" -o "$1" = - ]; then + cat "$1" | tr "\r" "\n" > $TMPFILE/infile + else + echo "Cannot open $1." 2>&1 + er=1 + fi + else + echo '$#'"=$#" 2>&1 + er=1 + fi + + + if [ $er -eq 1 ]; then + echo "" 2>&1 + echo "MAFFT" $version 2>&1 + echo "" 2>&1 + echo " References: " 2>&1 + echo " Katoh et al., 2002, NAR 30: 3059-3066" 2>&1 + echo " Katoh et al., 2005, NAR 33: 511-518" 2>&1 + echo " http://www.biophys.kyoto-u.ac.jp/~katoh/programs/align/mafft" 2>&1 + echo "" 2>&1 +# echo "Usage: `basename $0` [options] inputfile > outputfile" 2>&1 + echo " Options: " 2>&1 + echo " --globalpair : All pairwise global alignment information is included." 2>&1 + echo " default: off" 2>&1 + echo " --localpair : All pairwise local alignment information is included." 2>&1 + echo " default: off" 2>&1 + echo " --op # : Gap opening penalty (>0). default: $defaultgop " 2>&1 + echo " --ep # : Offset (>0, works like gap extension penalty). " 2>&1 + echo " default: $defaultaof " 2>&1 + echo " --bl #, --jtt # : Scoring matrix. default: BLOSUM62" 2>&1 + echo " Alternatives are BLOSUM (--bl) 30, 45, 62, 80, " 2>&1 + echo " or JTT (--jtt) # PAM. " 2>&1 + echo " --nuc or --amino : Sequence type. default: auto" 2>&1 + echo " --retree # : The number of tree building in progressive method " 2>&1 + echo " (see the paper for detail). default: $defaultcycle " 2>&1 + echo " --maxiterate # : Maximum number of iterative refinement. default: $defaultiterate " 2>&1 + echo " --nj : Tree dependent iterative refinement is performed" 2>&1 + echo " on an NJ tree. default: UPG tree" 2>&1 + if [ $defaultfft -eq 1 ]; then + echo " --fft or --nofft: FFT is enabled or disabled. default: enabled" 2>&1 + else + echo " --fft or --nofft: FFT is enabled or disabled. default: disabled" 2>&1 + fi +# if [ $defaultrough -eq 1 ]; then +# echo " --rough : Rough alignment, for >1,000 sequences. default: enabled" 2>&1 +# else +# echo " --rough : Rough alignment, for >1,000 sequences. default: disabled" 2>&1 +# i + echo " --clustalout: Output: clustal format (not tested). default: fasta" 2>&1 + echo " --reorder: Outorder: aligned (not tested). default: input order" 2>&1 + echo " --quiet : Do not report progress." 2>&1 + echo "" 2>&1 + echo " Input format: fasta format" 2>&1 + echo "" 2>&1 + echo " Typical usages:" 2>&1 + echo " % mafft --maxiterate 1000 --localpair input > output" 2>&1 + echo " L-INS-i (most accurate and very slow, iterative refinement" 2>&1 + echo " method incorporating LOCAL alignment information)" 2>&1 + echo "" 2>&1 + echo " % mafft --maxiterate 1000 --globalpair input > output" 2>&1 + echo " G-INS-i (slightly less accurate than L-INS-i and very slow," 2>&1 + echo " iterative refinement method incorporating GLOBAL alignment" 2>&1 + echo " information, suitable for sequences of similar lengths) " 2>&1 + echo "" 2>&1 + echo " % mafft --maxiterate 1000 input > output" 2>&1 + echo " FFT-NS-i (accurate and slow, iterative refinement method)" 2>&1 + echo "" 2>&1 + echo " % mafft --retree 2 input > output (DEFAULT; same as mafft input > output)" 2>&1 + echo " FFT-NS-2 (rough and fast, default, progressive method)" 2>&1 + echo "" 2>&1 + echo " % mafft --retree 1 input > output" 2>&1 + echo " FFT-NS-1 (very rough and very fast, progressive method with" 2>&1 + echo " a rough guide tree)" 2>&1 + echo "" 2>&1 + exit 1; + fi + + ( + cd $TMPFILE; + if [ $rough -gt 0 ]; then + $prefix/splitseq infile 500 + for spfile in sp-[0-9]*[0-9] + do + echo $spfile > /dev/tty + nseq=`grep -c '^[>|=]' $spfile` + echo $nseq > /dev/tty + if [ $nseq -eq 1 ]; then + cp $spfile $spfile.aln + else + $prefix/sextet5 $seqtype < $spfile > /dev/null 2>&1 || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft -Ax < $spfile > /dev/null 2>&1 || exit 1 + cat pre > $spfile.aln + fi + done + ngroup=0 + for alfile in sp-[0-9]*[0-9].aln + do + ngroup=`expr $ngroup + 1` + echo $alfile > /dev/tty + if [ $ngroup -eq 1 ]; then + cp $alfile alall + else + $prefix/galn -A alall $alfile > altmp + mv altmp alall + fi + done + cat alall + else + if [ $quiet -gt 0 ]; then + if [ $distance = "subopt" ]; then + $prefix/pairlocalalign $seqtype -b 62 -g $lexp -f $lgop -h $laof -O $LGOP -E $LEXP -S < infile > /dev/null 2>&1 || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "fasta" ]; then + $prefix/dndfast7 $swopt < infile > /dev/null 2>&1 || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "blast" ]; then + $prefix/dndblast < infile > /dev/null 2>&1 || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "global" ]; then + $prefix/pairlocalalign $seqtype $model -f "-"$gop -h "-"$aof -F < infile > /dev/null 2>&1 || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "local" ]; then + $prefix/pairlocalalign $seqtype -b 62 -g $lexp -f $lgop -h $laof -L < infile > /dev/null 2>&1 || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null 2>&1 || exit 1 + elif [ $distance = "genaf" ]; then + $prefix/pairlocalalign $seqtype -b 62 -g $lexp -f $lgop -h $laof -O $LGOP -E $LEXP -N < infile > /dev/null 2>&1 || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null 2>&1 || exit 1 + else + $prefix/disttbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft -Ax < infile > pre 2>/dev/null || exit 1 + fi + while [ $cycle -gt 1 ] + do + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft -JAx < pre > /dev/null 2>&1 || exit 1 + cycle=`expr $cycle - 1` + done + if [ $iterate -gt 0 ]; then + if [ $distance == "sixtuples" ]; then + $prefix/dndpre < pre > /dev/null 2>&1 || exit 1 + fi + $prefix/dvtditr $scorecalcopt $localparam -F -z 50 $seqtype $model -f "-"$gop -h "-"$aof -A -c -I $iterate $param_it < pre > /dev/null 2>&1 || exit 1 + fi + else + if [ $distance = "subopt" ]; then + $prefix/pairlocalalign $seqtype -b 62 -g $lexp -f $lgop -h $laof -O $LGOP -E $LEXP -S < infile > /dev/null || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null || exit 1 + elif [ $distance = "fasta" ]; then + $prefix/dndfast7 $swopt < infile > /dev/null || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null || exit 1 + elif [ $distance = "blast" ]; then + $prefix/dndblast < infile > /dev/null || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null || exit 1 + elif [ $distance = "global" ]; then + $prefix/pairlocalalign $seqtype $model -f "-"$gop -h "-"$aof -F < infile > /dev/null || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null || exit 1 + elif [ $distance = "local" ]; then + $prefix/pairlocalalign $seqtype -b 62 -g $lexp -f $lgop -h $laof -L < infile > /dev/null || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null || exit 1 + elif [ $distance = "genaf" ]; then + $prefix/pairlocalalign $seqtype -b 62 -g $lexp -f $lgop -h $laof -O $LGOP -E $LEXP -N < infile > /dev/null || exit 1 + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft $localparam -Ax < infile > /dev/null || exit 1 + else + $prefix/disttbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft -Ax < infile > pre || exit 1 + fi + while [ $cycle -gt 1 ] + do + $prefix/tbfast $seqtype $model -f "-"$gop -h "-"$aof $param_fft -JAx < pre > /dev/null || exit 1 + cycle=`expr $cycle - 1` + done + if [ $iterate -gt 0 ]; then + if [ $distance = "sixtuples" ]; then + $prefix/dndpre < pre > /dev/null 2>&1 || exit 1 + fi + $prefix/dvtditr $scorecalcopt $localparam -F -z 50 $seqtype $model -f "-"$gop -h "-"$aof -A -c -I $iterate $param_it < pre > /dev/null || exit 1 + fi + fi +# cat < pre || exit 1 + if [ $coreout -eq 0 ]; then + $outputcommand < pre || exit 1 + else + $prefix/setcore -w $corewin -i $corethr $coreext < pre > pre2 + $outputcommand < pre2 || exit 1 + fi + fi + ) + echo '' >/dev/tty + if [ $distance = "fasta" ]; then + echo "Pairwise alignments were computed by FASTA" >/dev/tty + echo "(Pearson & Lipman, 1988, PNAS 85:2444-2448)" >/dev/tty + fi + if [ $distance = "blast" ]; then + echo "Pairwise alignments were computed by BLAST">/dev/tty + echo "(Altschul et al., 1997, NAR 25:3389-3402)">/dev/tty + fi + printf "\n" >/dev/tty + echo 'Strategy:' >/dev/tty + printf ' '$strategy >/dev/tty + echo ' ('$performance')' >/dev/tty + echo ' '$explanation >/dev/tty + echo '' >/dev/tty + echo "Type '$0 --help' for other options." >/dev/tty + echo '' >/dev/tty + exit 0; +fi + +prog="awk" + +if [ $os != "darwin" ]; then + echo "checking nawk" + tmpawk=`which nawk 2>/dev/null | awk '{print $1}'` + if [ -x $tmpawk ]; then + prog=$tmpawk + fi + + echo "checking gawk" + tmpawk=`which gawk 2>/dev/null | awk '{print $1}'` + if [ -x $tmpawk ]; then + prog=$tmpawk + fi +fi + +echo "prog="$prog + +umask 077 +export defaultaof +export defaultgop +export defaultfft +export defaultcycle +export defaultiterate +( +$prog ' +BEGIN { + prefix = ENVIRON["prefix"]; + version = ENVIRON["version"]; + myself = ENVIRON["myself"]; + defaultgop = ENVIRON["defaultgop"] + defaultaof = ENVIRON["defaultaof"] + defaultfft = ENVIRON["defaultfft"] + defaultcycle = ENVIRON["defaultcycle"] + defaultiterate = ENVIRON["defaultiterate"] + while( 1 ) + { + options = "" + printf( "\n" ) > "/dev/tty"; + printf( "---------------------------------------------------------------------\n" ) > "/dev/tty"; + printf( "\n" ) > "/dev/tty"; + printf( " MAFFT %s\n", version ) > "/dev/tty"; + printf( "\n" ) > "/dev/tty"; + printf( " K. Katoh, K. Misawa, K. Kuma and T. Miyata (2002)\n" ) > "/dev/tty"; + printf( " Nucleic Acids Research 30: 3059-3066.\n" ) > "/dev/tty"; + printf( " http://www.biophys.kyoto-u.ac.jp/~katoh/programs/align/mafft\n" ) > "/dev/tty"; + printf( "---------------------------------------------------------------------\n" ) > "/dev/tty"; + printf( "\n" ); + + while( 1 ) + { + printf( "\n" ) > "/dev/tty"; + printf( "Input file? (fasta format)\n@ " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ) + if( res == 0 || NF == 0 ) + continue; + infile0 = sprintf( "%s", $1 ); + infile = sprintf( "%s", $1 ); + + res = getline < infile; + close( infile ); + if( res == -1 ) + printf( "%s: No such file.\n\n", infile ); + else if( res == 0 ) + printf( "%s: Empty.\n", infile ); + else + { + printf( "OK. infile = %s\n\n", infile ); + break; + } + } + nseq = 0; + + while( 1 ) + { + printf( "\n" ) > "/dev/tty"; + printf( "Output file?\n" ) > "/dev/tty"; + printf( "@ " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 || NF == 0 ) + continue; + else + { + outfile = sprintf( "%s", $1 ); + printf( "OK. outfile = %s\n\n", outfile ); + break; + } + } + + + while( 1 ) + { + retree = defaultcycle + printf( "\n" ); + printf( "Number of tree-rebuilding?\n" ) > "/dev/tty"; + printf( "@ [%d] ", retree ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 ) + continue; + else if( NF == 0 ) + ; + else + retree = 0 + $1; + if( retree < 1 || 10 < retree ) + ; + else + { + printf( "OK. %d\n\n", retree ); + break; + } + } + + while( 1 ) + { + niterate = defaultiterate; + printf( "\n" ); + printf( "Maximum number of iterations?\n" ) > "/dev/tty"; + printf( "@ [%d] ", niterate ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 ) + continue; + else if( NF == 0 ) + ; + else + niterate = 0 + $1; + if( niterate < 0 || 1000 < niterate ) + ; + else + { + printf( "OK. %d\n\n", niterate ); + break; + } + } + + while( 1 ) + { + fft = defaultfft; + printf( "\n" ); + printf( "Use fft?\n" ) > "/dev/tty"; + printf( "@ [%s] ", fft?"Yes":"No" ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 ) + continue; + else if( NF == 0 ) + { + break; + } + else if( NF == 0 || $0 ~ /^[Yy]/ ) + { + fft = 1; + break; + } + else if( NF == 0 || $0 ~ /^[Nn]/ ) + { + fft = 0; + break; + } + } + if( fft ) + { + printf( "OK. FFT is enabled.\n\n" ); + fftparam = " --fft "; + } + else + { + printf( "OK. FFT is disabled.\n\n" ); + fftparam = " --nofft "; + } + + while( 1 ) + { + scoringmatrix = 3; + printf( "\n" ); + printf( "Scoring matrix? (ignored when DNA sequence is input.)\n" ) > "/dev/tty"; + printf( " 1. BLOSUM 30\n" ) > "/dev/tty"; + printf( " 2. BLOSUM 45\n" ) > "/dev/tty"; + printf( " 3. BLOSUM 62\n" ) > "/dev/tty"; + printf( " 4. BLOSUM 80\n" ) > "/dev/tty"; + printf( " 5. JTT 200\n" ) > "/dev/tty"; + printf( " 6. JTT 100\n" ) > "/dev/tty"; + printf( "@ [%d] ", scoringmatrix ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 ) + continue; + else if( NF == 0 ) + ; + else + scoringmatrix = 0 + $1; + if( scoringmatrix < 1 || 6 < scoringmatrix ) + ; + else + { + break; + } + } + if( scoringmatrix == 1 ) + scoringparam = " --bl 30 "; + else if( scoringmatrix == 2 ) + scoringparam = " --bl 45 "; + else if( scoringmatrix == 3 ) + scoringparam = " --bl 62 "; + else if( scoringmatrix == 4 ) + scoringparam = " --bl 80 "; + else if( scoringmatrix == 5 ) + scoringparam = " --jtt 200 "; + else if( scoringmatrix == 6 ) + scoringparam = " --jtt 100 "; + printf( "OK. %s\n\n",scoringparam ); + + while( 1 ) + { + penalty = 0.0 + defaultgop; + offset = 0.0 + defaultaof; + printf( "\n" ); + printf( "Parameters (gap opening penalty, offset)?\n", penalty, offset ) > "/dev/tty"; + printf( "@ [%5.3f, %5.3f] ", penalty, offset ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 ) + continue; + else if( NF == 2 ) + { + penalty = 0.0 + $1; + offset = 0.0 + $2; + } + else if( NF == 0 ) + ; + else + continue; + if( penalty <= 0.0 || 10.0 < penalty ) + ; + else if( offset <= 0.0 || 10.0 < offset ) + ; + else + { + printf( "OK. %5.3f %5.3f\n\n", penalty, offset ); + break; + } + } + + command = sprintf( "%s %s --retree %d --maxiterate %d %s --op %f --ep %f %s > %s", myself, fftparam, retree, niterate, scoringparam, penalty, offset, infile, outfile ); + printf( "%s\n\n", command ); + + + while( 1 ) + { + go = 0; + printf( "\n" ); + printf( "OK?\n" ); + printf( "@ [Y] " ) > "/dev/tty"; + res = getline < "/dev/tty"; + close( "/dev/tty" ); + if( res == 0 ) + continue; + else if( NF == 0 || $0 ~ /^[Yy]/ ) + { + go=1; + break; + } + else + break; + } + if( go ) break; + printf( "\n" ); + printf( "\n" ); + } + system( command ); +} +' +) +exit 0; diff --git a/binaries/src/mafft/core/mccaskillwrap.c b/binaries/src/mafft/core/mccaskillwrap.c new file mode 100644 index 0000000..a7ea4ea --- /dev/null +++ b/binaries/src/mafft/core/mccaskillwrap.c @@ -0,0 +1,423 @@ +#include "mltaln.h" + +#define DEBUG 0 + +static char *whereismccaskillmea; + +#ifdef enablemultithread +typedef struct _thread_arg +{ + int thread_no; + int njob; + int *jobpospt; + int **gapmap; + char **nogap; + int nlenmax; + RNApair ***pairprob; + pthread_mutex_t *mutex; +} thread_arg_t; +#endif + +void outmccaskill( FILE *fp, RNApair **pairprob, int length ) +{ + int i; + RNApair *pt; + for( i=0; ibestpos!=-1; pt++ ) + { + if( pt->bestpos > i ) + fprintf( fp, "%d %d %50.40f\n", i, pt->bestpos, pt->bestscore ); + } +} + +#if 1 +static void readrawmccaskill( FILE *fp, RNApair **pairprob, int length ) +{ + char gett[1000]; + int *pairnum; + int i; + int left, right; + float prob; + + pairnum = (int *)calloc( length, sizeof( int ) ); + for( i=0; i' ) continue; + sscanf( gett, "%d %d %f", &left, &right, &prob ); + if( prob < 0.01 ) continue; // mxscarna to mafft ryoho ni eikyou +//fprintf( stderr, "gett = %s\n", gett ); + + if( left != right && prob > 0.0 ) + { + pairprob[left] = (RNApair *)realloc( pairprob[left], (pairnum[left]+2) * sizeof( RNApair ) ); + pairprob[left][pairnum[left]].bestscore = prob; + pairprob[left][pairnum[left]].bestpos = right; + pairnum[left]++; + pairprob[left][pairnum[left]].bestscore = -1.0; + pairprob[left][pairnum[left]].bestpos = -1; +// fprintf( stderr, "%d-%d, %f\n", left, right, prob ); + + pairprob[right] = (RNApair *)realloc( pairprob[right], (pairnum[right]+2) * sizeof( RNApair ) ); + pairprob[right][pairnum[right]].bestscore = prob; + pairprob[right][pairnum[right]].bestpos = left; + pairnum[right]++; + pairprob[right][pairnum[right]].bestscore = -1.0; + pairprob[right][pairnum[right]].bestpos = -1; +// fprintf( stderr, "%d-%d, %f\n", right, left, prob ); + } + } + free( pairnum ); +} +#endif + +#ifdef enablemultithread +static void *athread( void *arg ) +{ + thread_arg_t *targ = (thread_arg_t *)arg; + int thread_no = targ->thread_no; + int njob = targ->njob; + int *jobpospt = targ->jobpospt; + int **gapmap = targ->gapmap; + char **nogap = targ->nogap; + int nlenmax = targ->nlenmax; + RNApair ***pairprob = targ->pairprob; + + int i, res; + FILE *infp; + char *com; + char *dirname; + + dirname = calloc( 100, sizeof( char ) ); + com = calloc( 1000, sizeof( char ) ); + + + while( 1 ) + { + pthread_mutex_lock( targ->mutex ); + i = *jobpospt; + if( i == njob ) + { + pthread_mutex_unlock( targ->mutex ); + return( NULL ); + } + *jobpospt = i+1; + pthread_mutex_unlock( targ->mutex ); + + + sprintf( dirname, "_%d", i ); + sprintf( com, "rm -rf %s", dirname ); + system( com ); + sprintf( com, "mkdir %s", dirname ); + system( com ); + + fprintf( stderr, "%d / %d (by thread %4d)\n", i+1, njob, thread_no ); + commongappick_record( 1, nogap+i, gapmap[i] ); + sprintf( com, "%s/_mccaskillinorg", dirname ); + infp = fopen( com, "w" ); +// fprintf( infp, ">in\n%s\n", nogap[i] ); + fprintf( infp, ">in\n" ); + write1seq( infp, nogap[i] ); + fclose( infp ); + + sprintf( com, "tr -d '\\r' < %s/_mccaskillinorg > %s/_mccaskillin", dirname, dirname ); + system( com ); // for cygwin, wakaran + sprintf( com, "cd %s; %s/mxscarnamod -m -writebpp _mccaskillin > _mccaskillout 2>_dum", dirname, whereismccaskillmea ); + res = system( com ); + + if( res ) + { + fprintf( stderr, "ERROR IN mccaskill_mea\n" ); + exit( 1 ); + } + + sprintf( com, "%s/_mccaskillout", dirname ); + infp = fopen( com, "r" ); + readrawmccaskill( infp, pairprob[i], nlenmax ); + fclose( infp ); + + sprintf( com, "rm -rf %s > /dev/null 2>&1", dirname ); + if( system( com ) ) + { + fprintf( stderr, "retrying to rmdir\n" ); +// nanosleep( 100000 ); + sleep( 1 ); + system( com ); + } + } + free( dirname ); + free( com ); +} +#endif + +void arguments( int argc, char *argv[] ) +{ + int c; + nthread = 1; + inputfile = NULL; + dorp = NOTSPECIFIED; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + whereismccaskillmea = NULL; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'd': + whereismccaskillmea = *++argv; + fprintf( stderr, "whereismccaskillmea = %s\n", whereismccaskillmea ); + --argc; + goto nextoption; + case 'C': + nthread = atoi( *++argv ); + fprintf( stderr, "nthread = %d\n", nthread ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + + +int main( int argc, char *argv[] ) +{ + static char com[10000]; + static int *nlen; + int left, right; + int res; + static char **name, **seq, **nogap; + static int **gapmap; + static int *order; + int i, j; + FILE *infp; + RNApair ***pairprob; + RNApair **alnpairprob; + RNApair *pairprobpt; + RNApair *pt; + int *alnpairnum; + float prob; + int adpos; + + arguments( argc, argv ); +#ifndef enablemultithread + nthread = 0; +#endif + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + if( !whereismccaskillmea ) + whereismccaskillmea = ""; + + getnumlen( infp ); + rewind( infp ); + + if( dorp != 'd' ) + { + fprintf( stderr, "nuc only\n" ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*2+1 ); + nogap = AllocateCharMtx( njob, nlenmax*2+1 ); + gapmap = AllocateIntMtx( njob, nlenmax*2+1 ); + order = AllocateIntVec( njob ); + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + pairprob = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + alnpairprob = (RNApair **)calloc( nlenmax, sizeof( RNApair * ) ); + alnpairnum = AllocateIntVec( nlenmax ); + + for( i=0; i 0 ) + { + int jobpos; + pthread_t *handle; + pthread_mutex_t mutex; + thread_arg_t *targ; + jobpos = 0; + + targ = calloc( nthread, sizeof( thread_arg_t ) ); + handle = calloc( nthread, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex, NULL ); + + for( i=0; i%d\n", i ); + outmccaskill( stdout, pairprob[i], nlenmax ); + } + } + else +#endif + { + for( i=0; iin\n%s\n", nogap[i] ); + fprintf( infp, ">in\n" ); + write1seq( infp, nogap[i] ); + fclose( infp ); + + system( "tr -d '\\r' < _mccaskillinorg > _mccaskillin" ); // for cygwin, wakaran + sprintf( com, "env PATH=%s mxscarnamod -m -writebpp _mccaskillin > _mccaskillout 2>_dum", whereismccaskillmea ); + res = system( com ); + + if( res ) + { + fprintf( stderr, "ERROR IN mccaskill_mea\n" ); + exit( 1 ); + } + + infp = fopen( "_mccaskillout", "r" ); + readrawmccaskill( infp, pairprob[i], nlenmax ); + fclose( infp ); + fprintf( stdout, ">%d\n", i ); + outmccaskill( stdout, pairprob[i], nlenmax ); + } + } + + for( i=0; ibestpos!=-1; pairprobpt++ ) + { + left = gapmap[i][j]; + right = gapmap[i][pairprobpt->bestpos]; + prob = pairprobpt->bestscore; + + for( pt=alnpairprob[left]; pt->bestpos!=-1; pt++ ) + if( pt->bestpos == right ) break; + + if( pt->bestpos == -1 ) + { + alnpairprob[left] = (RNApair *)realloc( alnpairprob[left], (alnpairnum[left]+2) * sizeof( RNApair ) ); + adpos = alnpairnum[left]; + alnpairnum[left]++; + alnpairprob[left][adpos].bestscore = 0.0; + alnpairprob[left][adpos].bestpos = right; + alnpairprob[left][adpos+1].bestscore = -1.0; + alnpairprob[left][adpos+1].bestpos = -1; + pt = alnpairprob[left]+adpos; + } + else + adpos = pt-alnpairprob[left]; + + pt->bestscore += prob; + if( pt->bestpos != right ) + { + fprintf( stderr, "okashii!\n" ); + exit( 1 ); + } +// fprintf( stderr, "adding %d-%d, %f\n", left, right, prob ); + } + } + + for( i=0; ibestpos!=-1; pairprobpt++ ) + { + pairprobpt->bestscore /= (float)njob; + left = i; + right = pairprobpt->bestpos; + prob = pairprobpt->bestscore; + fprintf( stdout, "%d-%d, %f\n", left, right, prob ); + } + + return( 0 ); +#endif +} diff --git a/binaries/src/mafft/core/mingw64mingw32 b/binaries/src/mafft/core/mingw64mingw32 new file mode 100644 index 0000000..6c8110a --- /dev/null +++ b/binaries/src/mafft/core/mingw64mingw32 @@ -0,0 +1,15 @@ +#!/usr/bin/env bash +make clean +make +rm -rf binaries32 +mkdir binaries32 +mv ../binaries/* binaries32/ + +export PATH=/MinGW64/mingw-w64-1.0-bin_i686-mingw_20100702/bin:$PATH +export C_INCLUDE_PATH=/MinGW64/mingw-w64-1.0-bin_i686-mingw_20100702/include +export LIBRARY_PATH=/MinGW64/mingw-w64-1.0-bin_i686-mingw_20100702/lib +make clean +make +rm -rf binaries64 +mkdir binaries64 +mv ../binaries/* binaries64/ diff --git a/binaries/src/mafft/core/miyata.h b/binaries/src/mafft/core/miyata.h new file mode 100644 index 0000000..cddb624 --- /dev/null +++ b/binaries/src/mafft/core/miyata.h @@ -0,0 +1,47 @@ +double polarity_[] = +{ + 8.1, /* A */ + 10.5, /* R */ + 11.6, /* N */ + 13.0, /* D */ + 5.5, /* C */ + 10.5, /* Q */ + 12.3, /* E */ + 9.0, /* G */ + 10.4, /* H */ + 5.2, /* I */ + 4.9, /* L */ + 11.3, /* K */ + 5.7, /* M */ + 5.2, /* F */ + 8.0, /* P */ + 9.2, /* S */ + 8.6, /* T */ + 5.4, /* W */ + 6.2, /* Y */ + 5.9, /* V */ +}; + +double volume_[] = +{ + 31.0, /* A */ + 124.0, /* R */ + 56.0, /* N */ + 54.0, /* D */ + 55.0, /* C */ + 85.0, /* Q */ + 83.0, /* E */ + 3.0, /* G */ + 96.0, /* H */ + 111.0, /* I */ + 111.0, /* L */ + 119.0, /* K */ + 105.0, /* M */ + 132.0, /* F */ + 32.5, /* P */ + 32.0, /* S */ + 61.0, /* T */ + 170.0, /* W */ + 136.0, /* Y */ + 84.0, /* V */ +}; diff --git a/binaries/src/mafft/core/miyata5.h b/binaries/src/mafft/core/miyata5.h new file mode 100644 index 0000000..3ddf2c0 --- /dev/null +++ b/binaries/src/mafft/core/miyata5.h @@ -0,0 +1,166 @@ +int locpenaltym = -1440; +int exgpm = +0; /* != 0 nisuruto kowareru. exgp ha constants.c de kurikomu */ +char locaminom[] = "ARNDCQEGHILKMFPSTWYVBZX.-J"; +char locgrpm[] = +{ + 0, 3, 2, 2, 5, 2, 2, 0, 3, 1, 1, 3, 1, 4, 0, 0, 0, 4, 4, 1, 2, 2, + 6, 6, 6, 1, +}; +int locn_dism[26][26] = + { + { + 600, -235, 91, -78, 202, 51, -103, 340, -21, -169, + -189, -246, -92, -323, 582, 454, 342, -400, -309, 71, + 7, -26, -15, -400, 0,-1400, + }, + + { + -235, 600, 17, -69, -275, 277, 185, -400, 365, -112, + -149, 485, -55, -106, -229, -183, 20, -178, 22, -95, + -26, 231, -15, -400, 0,-1400, + }, + + { + 91, 17, 600, 414, -209, 317, 357, 39, 231, -363, + -398, 74, -280, -400, 85, 225, 200, -400, -378, -189, + 507, 337, -15, -400, 0,-1400, + }, + + { + -78, -69, 414, 600, -395, 179, 342, -78, 108, -400, + -400, 14, -400, -400, -86, 65, 14, -400, -400, -372, + 507, 261, -15, -400, 0,-1400, + }, + + { + 202, -275, -209, -395, 600, -109, -332, -35, -132, 134, + 128, -335, 182, -40, 220, 74, 185, -355, -81, 354, + -302, -220, -15, -400, 0,-1400, + }, + + { + 51, 277, 317, 179, -109, 600, 360, -109, 508, -135, + -172, 297, -58, -203, 51, 128, 280, -378, -109, -9, + 248, 480, -15, -400, 0,-1400, + }, + + { + -103, 185, 357, 342, -332, 360, 600, -195, 325, -369, + -400, 274, -295, -400, -109, 11, 77, -400, -321, -249, + 350, 480, -15, -400, 0,-1400, + }, + + { + 340, -400, 39, -78, -35, -109, -195, 600, -195, -400, + -400, -400, -355, -400, 322, 357, 114, -400, -400, -189, + -19, -152, -15, -400, 0,-1400, + }, + + { + -21, 365, 231, 108, -132, 508, 325, -195, 600, -100, + -141, 374, -26, -152, -15, 45, 222, -303, -49, -3, + 169, 417, -15, -400, 0,-1400, + }, + + { + -169, -112, -363, -400, 134, -135, -369, -400, -100, 600, + 560, -212, 517, 425, -149, -243, -12, 108, 354, 357, + -400, -252, -15, -400, 0,-1400, + }, + + { + -189, -149, -398, -400, 128, -172, -400, -400, -141, 560, + 600, -252, 482, 420, -172, -269, -43, 105, 331, 340, + -400, -290, -15, -400, 0,-1400, + }, + + { + -246, 485, 74, 14, -335, 297, 274, -400, 374, -212, + -252, 600, -152, -215, -240, -175, -1, -289, -92, -172, + 44, 285, -15, -400, 0,-1400, + }, + + { + -92, -55, -280, -400, 182, -58, -295, -355, -26, 517, + 482, -152, 600, 365, -75, -163, 68, 59, 334, 422, + -368, -176, -15, -400, 0,-1400, + }, + + { + -323, -106, -400, -400, -40, -203, -400, -400, -152, 425, + 420, -215, 365, 600, -306, -386, -143, 282, 462, 191, + -400, -315, -15, -400, 0,-1400, + }, + + { + 582, -229, 85, -86, 220, 51, -109, 322, -15, -149, + -172, -240, -75, -306, 600, 440, 351, -400, -292, 88, + 0, -29, -15, -400, 0,-1400, + }, + + { + 454, -183, 225, 65, 74, 128, 11, 357, 45, -243, + -269, -175, -163, -386, 440, 600, 345, -400, -352, -15, + 145, 70, -15, -400, 0,-1400, + }, + + { + 342, 20, 200, 14, 185, 280, 77, 114, 222, -12, + -43, -1, 68, -143, 351, 345, 600, -400, -100, 194, + 107, 178, -15, -400, 0,-1400, + }, + + { + -400, -178, -400, -400, -355, -378, -400, -400, -303, 108, + 105, -289, 59, 282, -400, -400, -400, 600, 297, -118, + -400, -400, -15, -400, 0,-1400, + }, + + { + -309, 22, -378, -400, -81, -109, -321, -400, -49, 354, + 331, -92, 334, 462, -292, -352, -100, 297, 600, 165, + -400, -215, -15, -400, 0,-1400, + }, + + { + 71, -95, -189, -372, 354, -9, -249, -189, -3, 357, + 340, -172, 422, 191, 88, -15, 194, -118, 165, 600, + -280, -129, -15, -400, 0,-1400, + }, + + { + 7, -26, 507, 507, -302, 248, 350, -19, 169, -400, + -400, 44, -368, -400, 0, 145, 107, -400, -400, -280, + 507, 299, -400, -400, 0,-1400, + }, + + { + -26, 231, 337, 261, -220, 480, 480, -152, 417, -252, + -290, 285, -176, -315, -29, 70, 178, -400, -215, -129, + 299, 480, -400, -400, 0,-1400, + }, + + { + -15, -15, -15, -15, -15, -15, -15, -15, -15, -15, + -15, -15, -15, -15, -15, -15, -15, -15, -15, -15, + -400, -400, -400, -400, 0,-1400, + }, + + { + -400, -400, -400, -400, -400, -400, -400, -400, -400, -400, + -400, -400, -400, -400, -400, -400, -400, -400, -400, -400, + -400, -400, -400, -400, 0,-1400, + }, + + { + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, + 0, 0, 0, 0, 0, 0, + }, + + { +-1400,-1400,-1400,-1400,-1400,-1400,-1400,-1400,-1400,-1400, +-1400,-1400,-1400,-1400,-1400,-1400,-1400,-1400,-1400,-1400, +-1400,-1400,-1400,-1400, 0, 1600, + }, + }; diff --git a/binaries/src/mafft/core/mltaln.h b/binaries/src/mafft/core/mltaln.h new file mode 100644 index 0000000..459b917 --- /dev/null +++ b/binaries/src/mafft/core/mltaln.h @@ -0,0 +1,302 @@ +#define USE_XCED 0 + +#if USE_XCED +#include "config.h" +#include "share.h" +#else +#endif + +#include +#include +#include +#include +#include +#include +#include +#include +#include "mtxutl.h" +#include +#ifdef enablemultithread +#include +#endif + +#define VERSION "6.857b" +#define SHOWVERSION fprintf( stderr, "%s (%s) Version " VERSION " alg=%c, model=%s\n%d thread(s)\n", progName( argv[0] ), (dorp=='d')?"nuc":"aa", alg, modelname, nthread ) + +#define FFT_THRESHOLD 80 +#define FFT_WINSIZE_P 20 +#define FFT_WINSIZE_D 100 +#define DISPSEQF 60 +#define DISPSITEI 0 +#define MAXITERATION 500 +#define M 50000 /* njob no saidaiti */ +#define N 5000000 /* nlen no saidaiti */ +#define MAXSEG 100000 +#define B 256 +#define C 60 /* 1 gyou no mojisuu */ +#define D 6 +#define rnd() ( ( 1.0 / ( RAND_MAX + 1.0 ) ) * rand() ) +#define MAX(X,Y) ( ((X)>(Y))?(X):(Y) ) +#define MIN(X,Y) ( ((X)<(Y))?(X):(Y) ) +#define G(X) ( ((X)>(0))?(X):(0) ) +#define BEFF 1.0 /* 0.6 ni suruto zureru */ +#define WIN 3 +#define SGAPP -1000 +#define GETA2 0.001 +#define GETA3 0.001 +#define NOTSPECIFIED 100009 +#define SUEFF 0.1 /* upg/(spg+upg) -> sueff.sed */ +#define DIVLOCAL 0 +#define INTMTXSCALE 1000000.0 +#define JTT 201 +#define TM 202 + +extern char modelname[100]; +extern int njob, nlenmax; +extern int amino_n[0x80]; +extern char amino_grp[0x80]; +extern int amino_dis[0x80][0x80]; +extern int amino_disLN[0x80][0x80]; +extern double amino_dis_consweight_multi[0x80][0x80]; +extern int n_dis[26][26]; +extern int n_disFFT[26][26]; +extern float n_dis_consweight_multi[26][26]; +extern char amino[26]; +extern double polarity[20]; +extern double volume[20]; +extern int ribosumdis[37][37]; + +extern int ppid; +extern double thrinter; +extern double fastathreshold; +extern int pslocal, ppslocal; +extern int constraint; +extern int divpairscore; +extern int fmodel; // 1-> fmodel 0->default -1->raw +extern int nblosum; // 45, 50, 62, 80 +extern int kobetsubunkatsu; +extern int bunkatsu; +extern int dorp; +extern int niter; +extern int contin; +extern int calledByXced; +extern int devide; +extern int scmtd; +extern int weight; +extern int utree; +extern int tbutree; +extern int refine; +extern int check; +extern double cut; +extern int cooling; +extern int penalty, ppenalty, penaltyLN; +extern int RNApenalty, RNAppenalty; +extern int RNApenalty_ex, RNAppenalty_ex; +extern int penalty_ex, ppenalty_ex, penalty_exLN; +extern int penalty_EX, ppenalty_EX; +extern int penalty_OP, ppenalty_OP; +extern int offset, poffset, offsetLN, offsetFFT; +extern int RNAthr, RNApthr; +extern int scoremtx; +extern int TMorJTT; +extern char use_fft; +extern char force_fft; +extern int nevermemsave; +extern int fftscore; +extern int fftWinSize; +extern int fftThreshold; +extern int fftRepeatStop; +extern int fftNoAnchStop; +extern int divWinSize; +extern int divThreshold; +extern int disp; +extern int outgap; +extern char alg; +extern int cnst; +extern int mix; +extern int tbitr; +extern int tbweight; +extern int tbrweight; +extern int disopt; +extern int pamN; +extern int checkC; +extern float geta2; +extern int treemethod; +extern int kimuraR; +extern char *swopt; +extern int fftkeika; +extern int score_check; +extern char *inputfile; +extern char *addfile; +extern int addprofile; +extern float consweight_multi; +extern float consweight_rna; +extern char RNAscoremtx; + +extern char *signalSM; +extern FILE *prep_g; +extern FILE *trap_g; +extern char **seq_g; +extern char **res_g; +extern int rnakozo; +extern char rnaprediction; + +/* sengen no ichi ha koko dake de ha nai */ +extern void constants(); +extern char **Calignm1(); +extern char **Dalignm1(); +extern char **align0(); +extern double Cscore_m_1( char **, int, int, double ** ); +extern double score_m_1( char **, int, int, double ** ); +extern double score_calc0( char **, int, double **, int ); +extern char seqcheck( char ** ); +extern float substitution( char *, char * ); +extern float substitution_score( char *, char * ); +extern float substitution_nid( char *, char * ); +extern float substitution_hosei( char *, char * ); +extern double ipower( double, int ); +extern float translate_and_Calign(); +extern float A__align(); +extern float A__align11(); +extern float A__align_gapmap(); +extern float partA__align(); +extern float L__align11(); +extern float G__align11(); +extern float Falign(); +extern float Falign_localhom(); +extern float Conalign(); +extern float Aalign(); +extern float imp_match_out_sc( int, int ); +extern float part_imp_match_out_sc( int, int ); +extern void ErrorExit(); +extern void cpmx_calc(); +extern void intergroup_score( char **, char **, double *, double *, int, int, int, double * ); +extern int conjuctionfortbfast(); +extern int fastconjuction(); +extern char seqcheck( char ** ); + +typedef struct _LocalHom +{ + int nokori; + struct _LocalHom *next; + struct _LocalHom *last; + int start1; + int end1; + int start2; + int end2; + double opt; + int overlapaa; + int extended; + double importance; + float fimportance; + double wimportance; + char korh; +} LocalHom; + +typedef struct _NodeInCub +{ + int step; + int LorR; +} NodeInCub; + +typedef struct _Node +{ + struct _Node *children[3]; + int tmpChildren[3]; + double length[3]; + double *weightptr[3]; + int top[3]; + int *members[3]; +} Node; + +typedef struct _Segment +{ + int start; + int end; + int center; + double score; + int skipForeward; + int skipBackward; + struct _Segment *pair; + int number; +} Segment; + +typedef struct _Segments +{ + Segment group1; + Segment group2; + int number1; + int number2; +} Segments; + +typedef struct _Bchain +{ + struct _Bchain *next; + struct _Bchain *prev; + int pos; +} Bchain; + +typedef struct _Achain +{ + int next; + int prev; +// int curr; +} Achain; + + +typedef struct _Fukusosuu +{ + double R; + double I; +} Fukusosuu; + +typedef struct _Gappattern +{ + int len; + float freq; +} Gappat; + +typedef struct _RNApair +{ + int uppos; + float upscore; + int downpos; + float downscore; + int bestpos; + float bestscore; +} RNApair; + +typedef struct _Treedep +{ + int child0; + int child1; + int done; +} Treedep; + + +#include "fft.h" +#include "dp.h" +#include "functions.h" + +#ifdef enablemultithread +#define TLS __thread +#else +#define TLS +#endif + +extern TLS int commonAlloc1; +extern TLS int commonAlloc2; +extern TLS int **commonIP; +extern TLS int **commonJP; +extern int nthread; +extern int randomseed; +extern int parallelizationstrategy; +#define BESTFIRST 0 +#define BAATARI0 1 +#define BAATARI1 2 +#define BAATARI2 3 + +extern int scoreout; +extern int outnumber; + +extern char *newgapstr; diff --git a/binaries/src/mafft/core/mltaln9.c b/binaries/src/mafft/core/mltaln9.c new file mode 100644 index 0000000..5e736f2 --- /dev/null +++ b/binaries/src/mafft/core/mltaln9.c @@ -0,0 +1,7281 @@ +#include "mltaln.h" + +#define DEBUG 0 + +#if 0 +int seqlen( char *seq ) +{ + int val = 0; + while( *seq ) + if( *seq++ != '-' ) val++; + return( val ); +} +#else +int seqlen( char *seq ) +{ + int val = 0; + if( *newgapstr == '-' ) + { + while( *seq ) + if( *seq++ != '-' ) val++; + } + else + { + while( *seq ) + { + if( *seq != '-' && *seq != *newgapstr ) val++; + seq++; + } + } + return( val ); +} +#endif + +int intlen( int *num ) +{ + int value = 0; + while( *num++ != -1 ) value++; + return( value ); +} + +char seqcheck( char **seq ) +{ + int i, len; + char **seqbk = seq; + while( *seq ) + { + len = strlen( *seq ); + for( i=0; i output\n" ); + fprintf( stderr, "=== \n" ); + fprintf( stderr, "========================================================================= \n" ); + fprintf( stderr, "========================================================================= \n" ); + return( (int)(*seq)[i] ); + } + } + seq++; + } + return( 0 ); +} + +void scmx_calc( int icyc, char **aseq, double *effarr, float **scmx ) +{ + int i, j, lgth; + + lgth = strlen( aseq[0] ); + for( j=0; j DISPSEQF ) imax = DISPSEQF; + else imax = nseq; + fprintf( stderr, " ....,....+....,....+....,....+....,....+....,....+....,....+....,....+....,....+....,....+....,....+....,....+....,....+\n" ); + for( i=0; i<+imax; i++ ) + { + strncpy( b, seq[i]+DISPSITEI, 120 ); + b[120] = 0; + fprintf( stderr, "%3d %s\n", i+1, b ); + } +} +#if 0 +double intergroup_score( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len ) +{ + int i, j, k; + double score; + double tmpscore; + char *mseq1, *mseq2; + double efficient; + char xxx[100]; + +// totaleff1 = 0.0; for( i=0; ilen-2 ) break; + continue; + } + if( mseq2[k] == '-' ) + { + tmpscore += penalty; + tmpscore += amino_dis[(int)mseq1[k]][(int)mseq2[k]]; + while( mseq2[++k] == '-' ) + tmpscore += amino_dis[(int)mseq1[k]][(int)mseq2[k]]; + k--; + if( k > len-2 ) break; + continue; + } + } + score += (double)tmpscore * efficient; +#if 1 + sprintf( xxx, "%f", score ); +// fprintf( stderr, "## score in intergroup_score = %f\n", score ); +#endif + } +#if 0 + fprintf( stderr, "###score = %f\n", score ); +#endif +#if 0 + fprintf( stderr, "## score in intergroup_score = %f\n", score ); +#endif + return( score ); +} +#endif + +void intergroup_score_consweight( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len, double *value ) +{ + int i, j, k; + int len2 = len - 2; + int ms1, ms2; + double tmpscore; + char *mseq1, *mseq2; + double efficient; + +// totaleff1 = 0.0; for( i=0; ilen2 ) break; + continue; + } + if( ms2 == (int)'-' ) + { + tmpscore += (double)penalty; + tmpscore += (double)amino_dis_consweight_multi[ms1][ms2]; + while( (ms2=(int)mseq2[++k]) == (int)'-' ) + ; +// tmpscore += (double)amino_dis_consweight_multi[ms1][ms2]; + k--; + if( k > len2 ) break; + continue; + } + } + *value += (double)tmpscore * (double)efficient; +// fprintf( stderr, "val in _gapnomi = %f\n", *value ); + } + } +#if 0 + fprintf( stdout, "###score = %f\n", score ); +#endif +#if DEBUG + fprintf( stderr, "score in intergroup_score = %f\n", score ); +#endif +// return( score ); +} +void intergroup_score_gapnomi( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len, double *value ) +{ + int i, j, k; + int len2 = len - 2; + int ms1, ms2; + double tmpscore; + char *mseq1, *mseq2; + double efficient; + +// totaleff1 = 0.0; for( i=0; ilen2 ) break; + continue; + } + if( ms2 == (int)'-' ) + { + tmpscore += (double)penalty; +// tmpscore += (double)amino_dis[ms1][ms2]; + while( (ms2=(int)mseq2[++k]) == (int)'-' ) + ; +// tmpscore += (double)amino_dis[ms1][ms2]; + k--; + if( k > len2 ) break; + continue; + } + } + *value += (double)tmpscore * (double)efficient; +// fprintf( stderr, "val in _gapnomi = %f\n", *value ); + } + } +#if 0 + fprintf( stdout, "###score = %f\n", score ); +#endif +#if DEBUG + fprintf( stderr, "score in intergroup_score = %f\n", score ); +#endif +// return( score ); +} + +void intergroup_score( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len, double *value ) +{ + int i, j, k; + int len2 = len - 2; + int ms1, ms2; + double tmpscore; + char *mseq1, *mseq2; + double efficient; + + double gaptmpscore; + double gapscore = 0.0; + +// fprintf( stderr, "#### in intergroup_score\n" ); + +// totaleff1 = 0.0; for( i=0; ilen2 ) break; + continue; + } + if( ms2 == (int)'-' ) + { + tmpscore += (double)penalty; + gaptmpscore += (double)penalty; +// tmpscore += (double)amino_dis[ms1][ms2]; + tmpscore += (double)amino_dis_consweight_multi[ms1][ms2]; + while( (ms2=(int)mseq2[++k]) == (int)'-' ) +// tmpscore += (double)amino_dis[ms1][ms2]; + tmpscore += (double)amino_dis_consweight_multi[ms1][ms2]; + k--; + if( k > len2 ) break; + continue; + } + } + *value += (double)tmpscore * (double)efficient; + gapscore += (double)gaptmpscore * (double)efficient; + } + } +#if 0 + fprintf( stderr, "###gapscore = %f\n", gapscore ); +#endif +#if DEBUG + fprintf( stderr, "score in intergroup_score = %f\n", score ); +#endif +// return( score ); +} +void intergroup_score_new( char **seq1, char **seq2, double *eff1, double *eff2, int clus1, int clus2, int len, double *value ) +{ + int i, j, k; + int len2 = len - 2; + int ms1, ms2; + double tmpscore; + char *mseq1, *mseq2; + static double efficient[1]; + +// totaleff1 = 0.0; for( i=0; ilen2 ) break; + continue; + } + if( ms2 == (int)'-' ) + { + tmpscore += (double)penalty; + tmpscore += (double)amino_dis[ms1][ms2]; + while( (ms2=(int)mseq2[++k]) == (int)'-' ) + tmpscore += (double)amino_dis[ms1][ms2]; + k--; + if( k > len2 ) break; + continue; + } + } + *value += (double)tmpscore * (double)*efficient; + } + } +#if 0 + fprintf( stdout, "###score = %f\n", score ); +#endif +#if DEBUG + fprintf( stderr, "score in intergroup_score = %f\n", score ); +#endif +// return( score ); +} + + +double score_calc5( char **seq, int s, double **eff, int ex ) /* method 3 deha nai */ +{ + int i, j, k; + double c; + int len = strlen( seq[0] ); + double score; + double tmpscore; + char *mseq1, *mseq2; + double efficient; +#if DEBUG + FILE *fp; +#endif + + score = 0.0; + c = 0.0; + + for( i=0; i len-2 ) break; + continue; + } + if( mseq2[k] == '-' ) + { + tmpscore += penalty; + while( mseq2[++k] == '-' ) + tmpscore += amino_dis[(int)mseq1[k]][(int)mseq2[k]]; + k--; + if( k > len-2 ) break; + continue; + } + } + score += (double)tmpscore * efficient; +/* + fprintf( stdout, "%d-%d tmpscore = %f, eff = %f, tmpscore*eff = %f\n", i, ex, tmpscore, efficient, tmpscore*efficient ); +*/ + } + /* + fprintf( stdout, "total score = %f\n", score ); + */ + + for( i=0; i len-2 ) break; + continue; + } + if( mseq2[k] == '-' ) + { + tmpscore += penalty; + while( mseq2[++k] == '-' ) + tmpscore += amino_dis[(int)mseq1[k]][(int)mseq2[k]]; + k--; + if( k > len-2 ) break; + continue; + } + } + score += (double)tmpscore * efficient; + } + } +/* + fprintf( stderr, "score in score_calc5 = %f\n", score ); +*/ + return( (double)score ); +/* + +fprintf( trap_g, "score by fast = %f\n", (float)score ); + +tmpscore = score = 0.0; + for( i=0; i len-2 ) break; + continue; + } + if( mseq2[k] == '-' ) + { + tmpscore += penalty - n_dis[24][0]; + while( mseq2[++k] == '-' ) + ; + k--; + if( k > len-2 ) break; + continue; + } + } + /* + if( x == 65 ) printf( "i=%d j=%d tmpscore=%d l=%d\n", i, j, tmpscore, len ); + */ + score += (double)tmpscore * efficient; + } + } + score /= c; + return( (double)score ); +} + + + +void upg2( int nseq, double **eff, int ***topol, double **len ) +{ + int i, j, k; + double tmplen[M]; + + static char **pair = NULL; + + if( !pair ) + { + pair = AllocateCharMtx( njob, njob ); + } + + for( i=0; i 0 ) + { + topol[k][0][count] = i; + count++; + } + topol[k][0][count] = -1; + for( i=0, count=0; i 0 ) + { + topol[k][1][count] = i; + count++; + } + topol[k][1][count] = -1; + + len[k][0] = minscore / 2.0 - tmplen[im]; + len[k][1] = minscore / 2.0 - tmplen[jm]; + + tmplen[im] = minscore / 2.0; + + for( i=0; i 0 ); + for( i=0; i-1; i++ ) printf( " %03d", topol[k][0][i] ); + printf( "\n" ); + printf( "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) printf( " %03d", topol[k][1][i] ); + printf( "\n" ); +#endif + } +} + +static void setnearest( int nseq, Bchain *acpt, float **eff, float *mindisfrompt, int *nearestpt, int pos ) +{ + int j; + float tmpfloat; + float **effptpt; + Bchain *acptj; + + *mindisfrompt = 999.9; + *nearestpt = -1; + +// if( (acpt+pos)->next ) effpt = eff[pos]+(acpt+pos)->next->pos-pos; + +// for( j=pos+1; jnext; acptj!=NULL; acptj=acptj->next ) + { + j = acptj->pos; +// if( (tmpfloat=*effpt++) < *mindisfrompt ) + if( (tmpfloat=eff[pos][j-pos]) < *mindisfrompt ) + { + *mindisfrompt = tmpfloat; + *nearestpt = j; + } + } + effptpt = eff; +// for( j=0; jpos!=pos); acptj=acptj->next ) + { + j = acptj->pos; +// if( (tmpfloat=(*effptpt++)[pos-j]) < *mindisfrompt ) + if( (tmpfloat=eff[j][pos-j]) < *mindisfrompt ) + { + *mindisfrompt = tmpfloat; + *nearestpt = j; + } + } +} + +static void setnearest_double_fullmtx( int nseq, Bchain *acpt, double **eff, double *mindisfrompt, int *nearestpt, int pos ) +{ + int j; + double tmpfloat; + double **effptpt; + Bchain *acptj; + + *mindisfrompt = 999.9; + *nearestpt = -1; + +// if( (acpt+pos)->next ) effpt = eff[pos]+(acpt+pos)->next->pos-pos; + +// for( j=pos+1; jnext; acptj!=NULL; acptj=acptj->next ) + { + j = acptj->pos; +// if( (tmpfloat=*effpt++) < *mindisfrompt ) + if( (tmpfloat=eff[pos][j]) < *mindisfrompt ) + { + *mindisfrompt = tmpfloat; + *nearestpt = j; + } + } + effptpt = eff; +// for( j=0; jpos!=pos); acptj=acptj->next ) + { + j = acptj->pos; +// if( (tmpfloat=(*effptpt++)[pos-j]) < *mindisfrompt ) + if( (tmpfloat=eff[j][pos]) < *mindisfrompt ) + { + *mindisfrompt = tmpfloat; + *nearestpt = j; + } + } +} + + + +static void loadtreeoneline( int *ar, float *len, FILE *fp ) +{ + static char gett[1000]; + + fgets( gett, 999, fp ); + +// fprintf( stderr, "gett=%s\n", gett ); + + + sscanf( gett, "%d %d %f %f", ar, ar+1, len, len+1 ); + + ar[0]--; + ar[1]--; + + if( ar[0] >= ar[1] ) + { + fprintf( stderr, "Incorrect guide tree\n" ); + exit( 1 ); + } + + +// fprintf( stderr, "ar[0] = %d, ar[1] = %d\n", ar[0], ar[1] ); +// fprintf( stderr, "len[0] = %f, len[1] = %f\n", len[0], len[1] ); +} + +void loadtree( int nseq, int ***topol, float **len, char **name, int *nlen, Treedep *dep ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + static int *hist = NULL; + static Bchain *ac = NULL; + int im = -1, jm = -1; + Bchain *acjmnext, *acjmprev; + int prevnode; + Bchain *acpti; + int *pt1, *pt2, *pt11, *pt22; + static int *nmemar; + int nmemim, nmemjm; + float minscore; + int *nearest = NULL; // by D.Mathog, a guess + float *mindisfrom = NULL; // by D.Mathog, a guess + static char **tree; + static char *treetmp; + static char *nametmp; + FILE *fp; + int node[2]; + + fp = fopen( "_guidetree", "r" ); + if( !fp ) + { + fprintf( stderr, "cannot open _guidetree\n" ); + exit( 1 ); + } + + if( !hist ) + { + hist = AllocateIntVec( njob ); + ac = (Bchain *)malloc( njob * sizeof( Bchain ) ); + nmemar = AllocateIntVec( njob ); + mindisfrom = AllocateFloatVec( njob ); + nearest = AllocateIntVec( njob ); + treetmp = AllocateCharVec( njob*50 ); + nametmp = AllocateCharVec( 31 ); + tree = AllocateCharMtx( njob, njob*50 ); + } + + + for( i=0; inext!=NULL; acpti=acpti->next ) + { + i = acpti->pos; +// fprintf( stderr, "k=%d i=%d\n", k, i ); + if( mindisfrom[i] < minscore ) // muscle + { + im = i; + minscore = mindisfrom[i]; + } + } + jm = nearest[im]; + if( jm < im ) + { + j=jm; jm=im; im=j; + } +#else + minscore = 0.0; + len[k][0] = len[k][1] = -1.0; + loadtreeoneline( node, len[k], fp ); + im = node[0]; + jm = node[1]; + + if( len[k][0] == -1.0 || len[k][1] == -1.0 ) + { + fprintf( stderr, "\n\nERROR: Branch length is not given.\n" ); + exit( 1 ); + } + + if( len[k][0] < 0.0 ) len[k][0] = 0.0; + if( len[k][1] < 0.0 ) len[k][1] = 0.0; + +#endif + + prevnode = hist[im]; + if( dep ) dep[k].child0 = prevnode; + nmemim = nmemar[im]; + +// fprintf( stderr, "prevnode = %d, nmemim = %d\n", prevnode, nmemim ); + + intpt = topol[k][0] = (int *)realloc( topol[k][0], ( nmemim + 1 ) * sizeof( int ) ); + if( prevnode == -1 ) + { + *intpt++ = im; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + + nmemjm = nmemar[jm]; + prevnode = hist[jm]; + if( dep ) dep[k].child1 = prevnode; + +// fprintf( stderr, "prevnode = %d, nmemjm = %d\n", prevnode, nmemjm ); + + intpt = topol[k][1] = (int *)realloc( topol[k][1], ( nmemjm + 1 ) * sizeof( int ) ); + if( !intpt ) + { + fprintf( stderr, "Cannot reallocate topol\n" ); + exit( 1 ); + } + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + +// len[k][0] = ( minscore - tmptmplen[im] ); +// len[k][1] = ( minscore - tmptmplen[jm] ); +// len[k][0] = -1; +// len[k][1] = -1; + + + hist[im] = k; + nmemar[im] = nmemim + nmemjm; + + mindisfrom[im] = 999.9; + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + } + } + + sprintf( treetmp, "(%s:%7.5f,%s:%7.5f)", tree[im], len[k][0], tree[jm], len[k][1] ); + strcpy( tree[im], treetmp ); + +// fprintf( stderr, "im,jm=%d,%d\n", im, jm ); + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + acjmprev->next = acjmnext; + if( acjmnext != NULL ) + acjmnext->prev = acjmprev; +// free( (void *)eff[jm] ); eff[jm] = NULL; + +#if 0 // muscle seems to miss this. + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( nearest[i] == im ) + { +// fprintf( stderr, "calling setnearest\n" ); +// setnearest( nseq, ac, eff, mindisfrom+i, nearest+i, i ); + } + } +#endif + + +#if 0 + fprintf( stdout, "vSTEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i]+1 ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i]+1 ); + fprintf( stdout, "\n" ); +#endif + } + fclose( fp ); + fp = fopen( "infile.tree", "w" ); + fprintf( fp, "%s\n", treetmp ); + fprintf( fp, "#by loadtree\n" ); + fclose( fp ); + + FreeCharMtx( tree ); + free( treetmp ); + free( nametmp ); + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + free( (void *)nmemar ); nmemar = NULL; + free( mindisfrom ); + free( nearest ); + + +} + +static float sueff1, sueff05; +static double sueff1_double, sueff05_double; + +static float cluster_mix_float( float d1, float d2 ) +{ + return( MIN( d1, d2 ) * sueff1 + ( d1 + d2 ) * sueff05 ); +} +static float cluster_average_float( float d1, float d2 ) +{ + return( ( d1 + d2 ) * 0.5 ); +} +static float cluster_minimum_float( float d1, float d2 ) +{ + return( MIN( d1, d2 ) ); +} +static double cluster_mix_double( double d1, double d2 ) +{ + return( MIN( d1, d2 ) * sueff1_double + ( d1 + d2 ) * sueff05_double ); +} +static double cluster_average_double( double d1, double d2 ) +{ + return( ( d1 + d2 ) * 0.5 ); +} +static double cluster_minimum_double( double d1, double d2 ) +{ + return( MIN( d1, d2 ) ); +} + +void loadtop( int nseq, float **eff, int ***topol, float **len ) // computes branch length BUG!! +{ + int i, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + static Bchain *ac = NULL; + float eff1, eff0; + static float *tmptmplen = NULL; + static int *hist = NULL; + int im = -1, jm = -1; + Bchain *acjmnext, *acjmprev; + int prevnode; + Bchain *acpti; + int *pt1, *pt2, *pt11, *pt22; + static int *nmemar; + int nmemim, nmemjm; + float minscore; + static char **tree; + static char *treetmp; + FILE *fp; + int node[2]; + float dumfl[2]; + float (*clusterfuncpt[1])(float,float); + + + sueff1 = 1 - SUEFF; + sueff05 = SUEFF * 0.5; + if ( treemethod == 'X' ) + clusterfuncpt[0] = cluster_mix_float; + else if ( treemethod == 'E' ) + clusterfuncpt[0] = cluster_average_float; + else if ( treemethod == 'q' ) + clusterfuncpt[0] = cluster_minimum_float; + else + { + fprintf( stderr, "Unknown treemethod, %c\n", treemethod ); + exit( 1 ); + } + + fp = fopen( "_guidetree", "r" ); + if( !fp ) + { + fprintf( stderr, "cannot open _guidetree\n" ); + exit( 1 ); + } + + if( !hist ) + { + treetmp = AllocateCharVec( njob*50 ); + tree = AllocateCharMtx( njob, njob*50 ); + hist = AllocateIntVec( njob ); + tmptmplen = AllocateFloatVec( njob ); + ac = (Bchain *)malloc( njob * sizeof( Bchain ) ); + nmemar = AllocateIntVec( njob ); + } + + for( i=0; inext!=NULL; acpti=acpti->next ) + { + effpt = eff[i=acpti->pos]; +// i = acpti->pos; + for( acptj=acpti->next; acptj!=NULL; acptj=acptj->next ) + { +// j=acptj->pos; +// tmpfloat = eff[i][j-i]; +// if( tmpfloat < minscore ) + if( (tmpfloat= effpt[(j=acptj->pos)-i]) < minscore ) + { + minscore = tmpfloat; + im = i; jm = j; + } + } + } + +// fprintf( stderr, "im=%d, jm=%d, minscore = %f\n", im, jm, minscore ); +#else + dumfl[0] = dumfl[1] = -1.0; + loadtreeoneline( node, dumfl, fp ); + im = node[0]; + jm = node[1]; + minscore = eff[im][jm-im]; + +// fprintf( stderr, "im=%d, jm=%d, minscore = %f\n", im, jm, minscore ); + + + if( dumfl[0] != -1.0 || dumfl[1] != -1.0 ) + { + fprintf( stderr, "\n\nERROR: Branch length should not be given.\n" ); + exit( 1 ); + } + +#endif + + + prevnode = hist[im]; + nmemim = nmemar[im]; + intpt = topol[k][0] = (int *)realloc( topol[k][0], ( nmemim + 1 ) * sizeof( int ) ); + if( prevnode == -1 ) + { + *intpt++ = im; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + prevnode = hist[jm]; + nmemjm = nmemar[jm]; + intpt = topol[k][1] = (int *)realloc( topol[k][1], ( nmemjm + 1 ) * sizeof( int ) ); + if( !intpt ) + { + fprintf( stderr, "Cannot reallocate topol\n" ); + exit( 1 ); + } + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = ( minscore - tmptmplen[im] ); + len[k][1] = ( minscore - tmptmplen[jm] ); + + if( len[k][0] < 0.0 ) len[k][0] = 0.0; + if( len[k][1] < 0.0 ) len[k][1] = 0.0; + + tmptmplen[im] = minscore; + + hist[im] = k; + nmemar[im] = nmemim + nmemjm; + + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim-miniim]; + eff1 = eff[minijm][maxijm-minijm]; +#if 0 + eff[miniim][maxiim-miniim] = + MIN( eff0, eff1 ) * sueff1 + ( eff0 + eff1 ) * sueff05; +#else + eff[miniim][maxiim-miniim] = + (clusterfuncpt[0])( eff0, eff1 ); +#endif + } + } +// sprintf( treetmp, "(%s,%s)", tree[im], tree[jm] ); + sprintf( treetmp, "(%s:%7.5f,%s:%7.5f)", tree[im], len[k][0], tree[jm], len[k][1] ); + strcpy( tree[im], treetmp ); + + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + acjmprev->next = acjmnext; + if( acjmnext != NULL ) + acjmnext->prev = acjmprev; + free( (void *)eff[jm] ); eff[jm] = NULL; +#if 0 + fprintf( stdout, "vSTEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i]+1 ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i]+1 ); + fprintf( stdout, "\n" ); +#endif + } +#if 1 + fclose( fp ); + fp = fopen( "infile.tree", "w" ); + fprintf( fp, "%s\n", treetmp ); + fprintf( fp, "by loadtop\n" ); + fclose( fp ); +#endif + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + free( (void *)nmemar ); nmemar = NULL; + +} + + +void fixed_musclesupg_float_realloc_nobk_halfmtx_treeout( int nseq, float **eff, int ***topol, float **len, char **name, int *nlen, Treedep *dep ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + float tmpfloat; + float eff1, eff0; + static float *tmptmplen = NULL; + static int *hist = NULL; + static Bchain *ac = NULL; + int im = -1, jm = -1; + Bchain *acjmnext, *acjmprev; + int prevnode; + Bchain *acpti; + int *pt1, *pt2, *pt11, *pt22; + static int *nmemar; + int nmemim, nmemjm; + float minscore; + int *nearest = NULL; // by D.Mathog, a guess + float *mindisfrom = NULL; // by D.Mathog, a guess + static char **tree; + static char *treetmp; + static char *nametmp, *nameptr, *tmpptr; + FILE *fp; + float (*clusterfuncpt[1])(float,float); + + + sueff1 = 1 - SUEFF; + sueff05 = SUEFF * 0.5; + if ( treemethod == 'X' ) + clusterfuncpt[0] = cluster_mix_float; + else if ( treemethod == 'E' ) + clusterfuncpt[0] = cluster_average_float; + else if ( treemethod == 'q' ) + clusterfuncpt[0] = cluster_minimum_float; + else + { + fprintf( stderr, "Unknown treemethod, %c\n", treemethod ); + exit( 1 ); + } + + if( !hist ) + { + hist = AllocateIntVec( njob ); + tmptmplen = AllocateFloatVec( njob ); + ac = (Bchain *)malloc( njob * sizeof( Bchain ) ); + nmemar = AllocateIntVec( njob ); + mindisfrom = AllocateFloatVec( njob ); + nearest = AllocateIntVec( njob ); + treetmp = AllocateCharVec( njob*150 ); + nametmp = AllocateCharVec( 130 ); + tree = AllocateCharMtx( njob, njob*150 ); + } + + + for( i=0; i _ no tame + + sprintf( tree[i], "%d_%.60s", i+1, nameptr ); + } + for( i=0; inext!=NULL; acpti=acpti->next ) + { + i = acpti->pos; +// fprintf( stderr, "k=%d i=%d\n", k, i ); + if( mindisfrom[i] < minscore ) // muscle + { + im = i; + minscore = mindisfrom[i]; + } + } + jm = nearest[im]; + if( jm < im ) + { + j=jm; jm=im; im=j; + } + + + prevnode = hist[im]; + if( dep ) dep[k].child0 = prevnode; + nmemim = nmemar[im]; + intpt = topol[k][0] = (int *)realloc( topol[k][0], ( nmemim + 1 ) * sizeof( int ) ); + if( prevnode == -1 ) + { + *intpt++ = im; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + prevnode = hist[jm]; + if( dep ) dep[k].child1 = prevnode; + nmemjm = nmemar[jm]; + intpt = topol[k][1] = (int *)realloc( topol[k][1], ( nmemjm + 1 ) * sizeof( int ) ); + if( !intpt ) + { + fprintf( stderr, "Cannot reallocate topol\n" ); + exit( 1 ); + } + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = ( minscore - tmptmplen[im] ); + len[k][1] = ( minscore - tmptmplen[jm] ); + + tmptmplen[im] = minscore; + + hist[im] = k; + nmemar[im] = nmemim + nmemjm; + + mindisfrom[im] = 999.9; + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim-miniim]; + eff1 = eff[minijm][maxijm-minijm]; +#if 0 + tmpfloat = eff[miniim][maxiim-miniim] = + MIN( eff0, eff1 ) * sueff1 + ( eff0 + eff1 ) * sueff05; +#else + tmpfloat = eff[miniim][maxiim-miniim] = + (clusterfuncpt[0])( eff0, eff1 ); +#endif + if( tmpfloat < mindisfrom[i] ) + { + mindisfrom[i] = tmpfloat; + nearest[i] = im; + } + if( tmpfloat < mindisfrom[im] ) + { + mindisfrom[im] = tmpfloat; + nearest[im] = i; + } + if( nearest[i] == jm ) + { + nearest[i] = im; + } + } + } + + sprintf( treetmp, "(%s:%7.5f,%s:%7.5f)", tree[im], len[k][0], tree[jm], len[k][1] ); + strcpy( tree[im], treetmp ); + + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + acjmprev->next = acjmnext; + if( acjmnext != NULL ) + acjmnext->prev = acjmprev; + free( (void *)eff[jm] ); eff[jm] = NULL; + +#if 1 // muscle seems to miss this. + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( nearest[i] == im ) + { +// fprintf( stderr, "calling setnearest\n" ); + setnearest( nseq, ac, eff, mindisfrom+i, nearest+i, i ); + } + } +#endif + + +#if 0 + fprintf( stdout, "vSTEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i]+1 ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i]+1 ); + fprintf( stdout, "\n" ); +#endif + } + fp = fopen( "infile.tree", "w" ); + fprintf( fp, "%s\n", treetmp ); + fclose( fp ); + + FreeCharMtx( tree ); + free( treetmp ); + free( nametmp ); + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + free( (void *)nmemar ); nmemar = NULL; + free( mindisfrom ); + free( nearest ); + +} + +//void veryfastsupg_double_outtree( int nseq, double **eff, int ***topol, double **len, char **name ) +void fixed_musclesupg_double_treeout( int nseq, double **eff, int ***topol, double **len, char **name ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + double tmpfloat; + double eff1, eff0; + static double *tmptmplen = NULL; + static int *hist = NULL; + static Bchain *ac = NULL; + int im = -1, jm = -1; + Bchain *acjmnext, *acjmprev; + int prevnode; + Bchain *acpti; + int *pt1, *pt2, *pt11, *pt22; + static int *nmemar; + int nmemim, nmemjm; + double minscore; + int *nearest = NULL; // by D.Mathog, a guess + double *mindisfrom = NULL; // by D.Mathog, a guess + static char **tree; + static char *treetmp; + static char *nametmp, *nameptr, *tmpptr; + FILE *fp; + double (*clusterfuncpt[1])(double,double); + + + sueff1_double = 1 - SUEFF; + sueff05_double = SUEFF * 0.5; + if ( treemethod == 'X' ) + clusterfuncpt[0] = cluster_mix_double; + else if ( treemethod == 'E' ) + clusterfuncpt[0] = cluster_average_double; + else if ( treemethod == 'q' ) + clusterfuncpt[0] = cluster_minimum_double; + else + { + fprintf( stderr, "Unknown treemethod, %c\n", treemethod ); + exit( 1 ); + } + + if( !hist ) + { + hist = AllocateIntVec( njob ); + tmptmplen = AllocateDoubleVec( njob ); + ac = (Bchain *)malloc( njob * sizeof( Bchain ) ); + nmemar = AllocateIntVec( njob ); + mindisfrom = AllocateDoubleVec( njob ); + nearest = AllocateIntVec( njob ); + treetmp = AllocateCharVec( njob*150 ); + nametmp = AllocateCharVec( 91 ); + tree = AllocateCharMtx( njob, njob*150 ); + } + + + for( i=0; i _ no tame + + sprintf( tree[i], "%d_%.60s", i+1, nameptr ); + } + for( i=0; inext!=NULL; acpti=acpti->next ) + { + i = acpti->pos; +// fprintf( stderr, "k=%d i=%d\n", k, i ); + if( mindisfrom[i] < minscore ) // muscle + { + im = i; + minscore = mindisfrom[i]; + } + } + jm = nearest[im]; + if( jm < im ) + { + j=jm; jm=im; im=j; + } + + + prevnode = hist[im]; + nmemim = nmemar[im]; +// intpt = topol[k][0] = (int *)realloc( topol[k][0], ( nmemim + 1 ) * sizeof( int ) ); + intpt = topol[k][0]; + if( prevnode == -1 ) + { + *intpt++ = im; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + prevnode = hist[jm]; + nmemjm = nmemar[jm]; +// intpt = topol[k][1] = (int *)realloc( topol[k][1], ( nmemjm + 1 ) * sizeof( int ) ); + intpt = topol[k][1]; + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = ( minscore - tmptmplen[im] ); + len[k][1] = ( minscore - tmptmplen[jm] ); + + + tmptmplen[im] = minscore; + + hist[im] = k; + nmemar[im] = nmemim + nmemjm; + + mindisfrom[im] = 999.9; + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim]; + eff1 = eff[minijm][maxijm]; +#if 0 + tmpfloat = eff[miniim][maxiim] = + MIN( eff0, eff1 ) * sueff1 + ( eff0 + eff1 ) * sueff05; +#else + tmpfloat = eff[miniim][maxiim] = + (clusterfuncpt[0])( eff0, eff1 ); +#endif + if( tmpfloat < mindisfrom[i] ) + { + mindisfrom[i] = tmpfloat; + nearest[i] = im; + } + if( tmpfloat < mindisfrom[im] ) + { + mindisfrom[im] = tmpfloat; + nearest[im] = i; + } + if( nearest[i] == jm ) + { + nearest[i] = im; + } + } + } + + sprintf( treetmp, "(%s:%7.5f,%s:%7.5f)", tree[im], len[k][0], tree[jm], len[k][1] ); + strcpy( tree[im], treetmp ); + + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + acjmprev->next = acjmnext; + if( acjmnext != NULL ) + acjmnext->prev = acjmprev; +// free( (void *)eff[jm] ); eff[jm] = NULL; + +#if 1 // muscle seems to miss this. + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( nearest[i] == im ) + { +// fprintf( stderr, "calling setnearest\n" ); + setnearest_double_fullmtx( nseq, ac, eff, mindisfrom+i, nearest+i, i ); + } + } +#endif + + +#if 0 + fprintf( stdout, "vSTEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i]+1 ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i]+1 ); + fprintf( stdout, "\n" ); +#endif + } + fp = fopen( "infile.tree", "w" ); + fprintf( fp, "%s\n", treetmp ); + fclose( fp ); + + FreeCharMtx( tree ); + free( treetmp ); + free( nametmp ); + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + free( (void *)nmemar ); nmemar = NULL; + free( mindisfrom ); + free( nearest ); +} + + +void fixed_musclesupg_float_realloc_nobk_halfmtx( int nseq, float **eff, int ***topol, float **len, Treedep *dep ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + float tmpfloat; + float eff1, eff0; + static float *tmptmplen = NULL; + static int *hist = NULL; + static Bchain *ac = NULL; + int im = -1, jm = -1; + Bchain *acjmnext, *acjmprev; + int prevnode; + Bchain *acpti; + int *pt1, *pt2, *pt11, *pt22; + static int *nmemar; + int nmemim, nmemjm; + float minscore; +// float sueff1 = 1 - SUEFF; +// float sueff05 = SUEFF * 0.5; + int *nearest = NULL; // by Mathog, a guess + float *mindisfrom = NULL; // by Mathog, a guess + float (*clusterfuncpt[1])(float,float); + + + sueff1 = 1 - SUEFF; + sueff05 = SUEFF * 0.5; + if ( treemethod == 'X' ) + clusterfuncpt[0] = cluster_mix_float; + else if ( treemethod == 'E' ) + clusterfuncpt[0] = cluster_average_float; + else if ( treemethod == 'q' ) + clusterfuncpt[0] = cluster_minimum_float; + else + { + fprintf( stderr, "Unknown treemethod, %c\n", treemethod ); + exit( 1 ); + } + + if( !hist ) + { + hist = AllocateIntVec( njob ); + tmptmplen = AllocateFloatVec( njob ); + ac = (Bchain *)malloc( njob * sizeof( Bchain ) ); + nmemar = AllocateIntVec( njob ); + mindisfrom = AllocateFloatVec( njob ); + nearest = AllocateIntVec( njob ); + } + + + for( i=0; inext!=NULL; acpti=acpti->next ) + { + i = acpti->pos; +// fprintf( stderr, "k=%d i=%d\n", k, i ); + if( mindisfrom[i] < minscore ) // muscle + { + im = i; + minscore = mindisfrom[i]; + } + } + jm = nearest[im]; + if( jm < im ) + { + j=jm; jm=im; im=j; + } + + + prevnode = hist[im]; + if( dep ) dep[k].child0 = prevnode; + nmemim = nmemar[im]; + intpt = topol[k][0] = (int *)realloc( topol[k][0], ( nmemim + 1 ) * sizeof( int ) ); + if( prevnode == -1 ) + { + *intpt++ = im; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + prevnode = hist[jm]; + if( dep ) dep[k].child1 = prevnode; + nmemjm = nmemar[jm]; + intpt = topol[k][1] = (int *)realloc( topol[k][1], ( nmemjm + 1 ) * sizeof( int ) ); + if( !intpt ) + { + fprintf( stderr, "Cannot reallocate topol\n" ); + exit( 1 ); + } + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = ( minscore - tmptmplen[im] ); + len[k][1] = ( minscore - tmptmplen[jm] ); + + tmptmplen[im] = minscore; + + hist[im] = k; + nmemar[im] = nmemim + nmemjm; + + mindisfrom[im] = 999.9; + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim-miniim]; + eff1 = eff[minijm][maxijm-minijm]; + tmpfloat = eff[miniim][maxiim-miniim] = +#if 0 + MIN( eff0, eff1 ) * sueff1 + ( eff0 + eff1 ) * sueff05; +#else + (clusterfuncpt[0])( eff0, eff1 ); +#endif + if( tmpfloat < mindisfrom[i] ) + { + mindisfrom[i] = tmpfloat; + nearest[i] = im; + } + if( tmpfloat < mindisfrom[im] ) + { + mindisfrom[im] = tmpfloat; + nearest[im] = i; + } + if( nearest[i] == jm ) + { + nearest[i] = im; + } + } + } + +// fprintf( stderr, "im,jm=%d,%d\n", im, jm ); + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + acjmprev->next = acjmnext; + if( acjmnext != NULL ) + acjmnext->prev = acjmprev; + free( (void *)eff[jm] ); eff[jm] = NULL; + +#if 1 // muscle seems to miss this. + for( acpti=ac; acpti!=NULL; acpti=acpti->next ) + { + i = acpti->pos; + if( nearest[i] == im ) + { +// fprintf( stderr, "calling setnearest\n" ); + setnearest( nseq, ac, eff, mindisfrom+i, nearest+i, i ); + } + } +#endif + + +#if 0 + fprintf( stdout, "vSTEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i]+1 ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i]+1 ); + fprintf( stdout, "\n" ); +#endif + } + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + free( (void *)nmemar ); nmemar = NULL; + free( mindisfrom ); + free( nearest ); +} + + + + + + + + +void veryfastsupg_double_loadtop( int nseq, double **eff, int ***topol, double **len ) // BUG!!! +{ + int i, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + double eff1, eff0; + static double *tmptmplen = NULL; + static int *hist = NULL; + static Achain *ac = NULL; + double minscore; + static char **tree; + static char *treetmp; + int im = -1, jm = -1; + int prevnode, acjmnext, acjmprev; + int *pt1, *pt2, *pt11, *pt22; + FILE *fp; + int node[2]; + float dumfl[2]; + + fp = fopen( "_guidetree", "r" ); + if( !fp ) + { + fprintf( stderr, "cannot open _guidetree\n" ); + exit( 1 ); + } + + if( !hist ) + { + treetmp = AllocateCharVec( njob*50 ); + tree = AllocateCharMtx( njob, njob*50 ); + hist = AllocateIntVec( njob ); + tmptmplen = (double *)malloc( njob * sizeof( double ) ); + ac = (Achain *)malloc( njob * sizeof( Achain ) ); + } + for( i=0; i *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + intpt = topol[k][1]; + prevnode = hist[jm]; + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = minscore - tmptmplen[im]; + len[k][1] = minscore - tmptmplen[jm]; + + if( len[k][0] < 0.0 ) len[k][0] = 0.0; + if( len[k][1] < 0.0 ) len[k][1] = 0.0; + + tmptmplen[im] = minscore; + + hist[im] = k; + + for( i=0; i!=-1; i=ac[i].next ) + { + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim]; + eff1 = eff[minijm][maxijm]; + eff[miniim][maxiim] = + MIN( eff0, eff1 ) * ( 1.0 - SUEFF ) + + ( eff0 + eff1 ) * 0.5 * SUEFF; + } + } + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + ac[acjmprev].next = acjmnext; + if( acjmnext != -1 ) + ac[acjmnext].prev = acjmprev; + + sprintf( treetmp, "(%s:%7.5f,%s:%7.5f)", tree[im], len[k][0], tree[jm], len[k][1] ); + strcpy( tree[im], treetmp ); +#if 0 + fprintf( stdout, "STEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i] ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i] ); + fprintf( stdout, "\n" ); +#endif + } + fclose( fp ); + + fp = fopen( "infile.tree", "w" ); + fprintf( fp, "%s\n", treetmp ); +// fprintf( fp, "by veryfastsupg_double_loadtop\n" ); + fclose( fp ); + +#if 1 + fprintf( stderr, "\n" ); + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + FreeCharMtx( tree ); + free( treetmp ); +#endif +} + +void veryfastsupg_double_loadtree( int nseq, double **eff, int ***topol, double **len ) +{ + int i, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + double eff1, eff0; + static double *tmptmplen = NULL; + static int *hist = NULL; + static Achain *ac = NULL; + double minscore; + static char **tree; + static char *treetmp; + int im = -1, jm = -1; + int prevnode, acjmnext, acjmprev; + int *pt1, *pt2, *pt11, *pt22; + FILE *fp; + int node[2]; + float lenfl[2]; + + fp = fopen( "_guidetree", "r" ); + if( !fp ) + { + fprintf( stderr, "cannot open _guidetree\n" ); + exit( 1 ); + } + + if( !hist ) + { + treetmp = AllocateCharVec( njob*50 ); + tree = AllocateCharMtx( njob, njob*50 ); + hist = AllocateIntVec( njob ); + tmptmplen = (double *)malloc( njob * sizeof( double ) ); + ac = (Achain *)malloc( njob * sizeof( Achain ) ); + } + + for( i=0; i *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + intpt = topol[k][1]; + prevnode = hist[jm]; + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + +#if 0 + len[k][0] = minscore - tmptmplen[im]; + len[k][1] = minscore - tmptmplen[jm]; +#else + len[k][0] = lenfl[0]; + len[k][1] = lenfl[1]; +#endif + + tmptmplen[im] = minscore; + + hist[im] = k; + + for( i=0; i!=-1; i=ac[i].next ) + { + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim]; + eff1 = eff[minijm][maxijm]; + eff[miniim][maxiim] = + MIN( eff0, eff1 ) * ( 1.0 - SUEFF ) + + ( eff0 + eff1 ) * 0.5 * SUEFF; + } + } + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + ac[acjmprev].next = acjmnext; + if( acjmnext != -1 ) + ac[acjmnext].prev = acjmprev; + + sprintf( treetmp, "(%s:%7.5f,%s:%7.5f)", tree[im], len[k][0], tree[jm], len[k][1] ); + strcpy( tree[im], treetmp ); + +#if 0 + fprintf( stdout, "STEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i] ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i] ); + fprintf( stdout, "\n" ); +#endif + } + fclose( fp ); + + + fp = fopen( "infile.tree", "w" ); + fprintf( fp, "%s\n", treetmp ); +// fprintf( fp, "by veryfastsupg_double_loadtree\n" ); + fclose( fp ); + +#if 1 + fprintf( stderr, "\n" ); + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + FreeCharMtx( tree ); + free( treetmp ); +#endif + + +} + +#if 0 +void veryfastsupg_double( int nseq, double **eff, int ***topol, double **len ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + double tmpdouble; + double eff1, eff0; + static double *tmptmplen = NULL; + static int *hist = NULL; + static Achain *ac = NULL; + double minscore; + int im = -1, jm = -1; + int prevnode, acjmnext, acjmprev; + int *pt1, *pt2, *pt11, *pt22; + if( !hist ) + { + hist = AllocateIntVec( njob ); + tmptmplen = (double *)malloc( njob * sizeof( double ) ); + ac = (Achain *)malloc( njob * sizeof( Achain ) ); + } + + for( i=0; i *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + intpt = topol[k][1]; + prevnode = hist[jm]; + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = minscore - tmptmplen[im]; + len[k][1] = minscore - tmptmplen[jm]; + + tmptmplen[im] = minscore; + + hist[im] = k; + + for( i=0; i!=-1; i=ac[i].next ) + { + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim]; + eff1 = eff[minijm][maxijm]; + eff[miniim][maxiim] = + MIN( eff0, eff1 ) * ( 1.0 - SUEFF ) + + ( eff0 + eff1 ) * 0.5 * SUEFF; + } + } + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + ac[acjmprev].next = acjmnext; + if( acjmnext != -1 ) + ac[acjmnext].prev = acjmprev; +#if 0 + fprintf( stdout, "STEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i] ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i] ); + fprintf( stdout, "\n" ); +#endif + } +#if 1 + fprintf( stderr, "\n" ); + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; +#endif +} +#endif + +void veryfastsupg_double_outtree( int nseq, double **eff, int ***topol, double **len, char **name ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + double tmpdouble; + double eff1, eff0; + static double *tmptmplen = NULL; + static int *hist = NULL; + static Achain *ac = NULL; + double minscore; + static char **tree; + static char *treetmp; + static char *nametmp; + FILE *fpout; + int im = -1, jm = -1; + int prevnode, acjmnext, acjmprev; + int *pt1, *pt2, *pt11, *pt22; + double (*clusterfuncpt[1])(double,double); + + + sueff1_double = 1 - SUEFF; + sueff05_double = SUEFF * 0.5; + if ( treemethod == 'X' ) + clusterfuncpt[0] = cluster_mix_double; + else if ( treemethod == 'E' ) + clusterfuncpt[0] = cluster_average_double; + else if ( treemethod == 'q' ) + clusterfuncpt[0] = cluster_minimum_double; + else + { + fprintf( stderr, "Unknown treemethod, %c\n", treemethod ); + exit( 1 ); + } + + if( !hist ) + { + treetmp = AllocateCharVec( njob*50 ); + tree = AllocateCharMtx( njob, njob*50 ); + hist = AllocateIntVec( njob ); + tmptmplen = (double *)malloc( njob * sizeof( double ) ); + ac = (Achain *)malloc( njob * sizeof( Achain ) ); + nametmp = AllocateCharVec( 31 ); + } + +// for( i=0; i *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + intpt = topol[k][1]; + prevnode = hist[jm]; + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = minscore - tmptmplen[im]; + len[k][1] = minscore - tmptmplen[jm]; + + tmptmplen[im] = minscore; + + hist[im] = k; + + for( i=0; i!=-1; i=ac[i].next ) + { + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim]; + eff1 = eff[minijm][maxijm]; +#if 0 + eff[miniim][maxiim] = + MIN( eff0, eff1 ) * ( 1.0 - SUEFF ) + + ( eff0 + eff1 ) * 0.5 * SUEFF; +#else + eff[miniim][maxiim] = + (clusterfuncpt[0])( eff0, eff1 ); +#endif + } + } + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + ac[acjmprev].next = acjmnext; + if( acjmnext != -1 ) + ac[acjmnext].prev = acjmprev; + + sprintf( treetmp, "(%s:%7.5f,%s:%7.5f)", tree[im], len[k][0], tree[jm], len[k][1] ); + strcpy( tree[im], treetmp ); +#if 0 + fprintf( stdout, "STEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i] ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i] ); + fprintf( stdout, "\n" ); +#endif + } + fpout = fopen( "infile.tree", "w" ); + fprintf( fpout, "%s\n", treetmp ); +// fprintf( fpout, "by veryfastsupg_double_outtree\n" ); + fclose( fpout ); +#if 1 + fprintf( stderr, "\n" ); + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; + FreeCharMtx( tree ); + free( treetmp ); + free( nametmp ); +#endif +} + +void veryfastsupg( int nseq, double **oeff, int ***topol, double **len ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; + int *intpt, *intpt2; + int tmpint; + int eff1, eff0; + static double *tmptmplen = NULL; + static int **eff = NULL; + static int *hist = NULL; + static Achain *ac = NULL; + int minscore; + double minscoref; + int im = -1, jm = -1; + int prevnode, acjmnext, acjmprev; + int *pt1, *pt2, *pt11, *pt22; + if( !eff ) + { + eff = AllocateIntMtx( njob, njob ); + hist = AllocateIntVec( njob ); + tmptmplen = (double *)malloc( njob * sizeof( double ) ); + ac = (Achain *)malloc( njob * sizeof( Achain ) ); + } + + for( i=0; i *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + intpt = topol[k][1]; + prevnode = hist[jm]; + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } +#else + intpt = topol[k][0]; + for( i=0; i -2 ) + *intpt++ = i; + *intpt = -1; + + intpt = topol[k][1]; + for( i=0; i -2 ) + *intpt++ = i; + *intpt = -1; +#endif + + len[k][0] = minscoref - tmptmplen[im]; + len[k][1] = minscoref - tmptmplen[jm]; + + tmptmplen[im] = minscoref; + + hist[im] = k; + + for( i=0; i!=-1; i=ac[i].next ) + { + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim]; + eff1 = eff[minijm][maxijm]; + eff[miniim][maxiim] = + MIN( eff0, eff1 ) * ( 1.0 - SUEFF ) + + ( eff0 + eff1 ) * 0.5 * SUEFF; + } + } + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + ac[acjmprev].next = acjmnext; + if( acjmnext != -1 ) + ac[acjmnext].prev = acjmprev; +#if 0 + fprintf( stdout, "STEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i] ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i] ); + fprintf( stdout, "\n" ); +#endif + } +#if 1 + FreeIntMtx( eff ); eff = NULL; + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; +#endif +} +void veryfastsupg_int( int nseq, int **oeff, int ***topol, double **len ) +/* len$B$O!"(B oeff$B$,@0?t!#(Blen$B$b *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + intpt = topol[k][1]; + prevnode = hist[jm]; + if( prevnode == -1 ) + { + *intpt++ = jm; + *intpt = -1; + } + else + { + pt1 = topol[prevnode][0]; + pt2 = topol[prevnode][1]; + if( *pt1 > *pt2 ) + { + pt11 = pt2; + pt22 = pt1; + } + else + { + pt11 = pt1; + pt22 = pt2; + } + for( intpt2=pt11; *intpt2!=-1; ) + *intpt++ = *intpt2++; + for( intpt2=pt22; *intpt2!=-1; ) + *intpt++ = *intpt2++; + *intpt = -1; + } + + minscore *= 0.5; + + len[k][0] = (double)( minscore - tmptmplen[im] ); + len[k][1] = (double)( minscore - tmptmplen[jm] ); + + tmptmplen[im] = minscore; + +#if 0 + free( tmptmplen ); + tmptmplen = AllocateIntVec( nseq ); +#endif + + + hist[im] = k; + + for( i=0; i!=-1; i=ac[i].next ) + { + if( i != im && i != jm ) + { + if( i < im ) + { + miniim = i; + maxiim = im; + minijm = i; + maxijm = jm; + } + else if( i < jm ) + { + miniim = im; + maxiim = i; + minijm = i; + maxijm = jm; + } + else + { + miniim = im; + maxiim = i; + minijm = jm; + maxijm = i; + } + eff0 = eff[miniim][maxiim]; + eff1 = eff[minijm][maxijm]; + eff[miniim][maxiim] = + (int) ( (float)MIN( eff0, eff1 ) * ( 1.0 - SUEFF ) + (float)( eff0 + eff1 ) * 0.5 * SUEFF ); + } + } + acjmprev = ac[jm].prev; + acjmnext = ac[jm].next; + ac[acjmprev].next = acjmnext; + if( acjmnext != -1 ) + ac[acjmnext].prev = acjmprev; +#if 0 + fprintf( stdout, "STEP-%03d:\n", k+1 ); + fprintf( stdout, "len0 = %f\n", len[k][0] ); + for( i=0; topol[k][0][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][0][i] ); + fprintf( stdout, "\n" ); + fprintf( stdout, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stdout, " %03d", topol[k][1][i] ); + fprintf( stdout, "\n" ); +#endif + } + FreeIntMtx( eff ); eff = NULL; + free( (void *)tmptmplen ); tmptmplen = NULL; + free( hist ); hist = NULL; + free( (char *)ac ); ac = NULL; +} +void fastsupg( int nseq, double **oeff, int ***topol, double **len ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; +#if 0 + double eff[nseq][nseq]; + char pair[njob][njob]; +#else + static float *tmplen; + int *intpt; + float tmpfloat; + float eff1, eff0; + static float **eff = NULL; + static char **pair = NULL; + static Achain *ac; + float minscore; + int im = -1, jm = -1; + if( !eff ) + { + eff = AllocateFloatMtx( njob, njob ); + pair = AllocateCharMtx( njob, njob ); + tmplen = AllocateFloatVec( njob ); + ac = (Achain *)calloc( njob, sizeof( Achain ) ); + } +#endif + + for( i=0; i 0 ) + *intpt++ = i; + *intpt = -1; + + intpt = topol[k][1]; + for( i=0; i 0 ) + *intpt++ = i; + *intpt = -1; + + minscore /= 2.0; + + len[k][0] = (double)minscore - tmplen[im]; + len[k][1] = (double)minscore - tmplen[jm]; + + tmplen[im] = (double)minscore; + + for( i=0; i 0 ); + for( i=0; i-1; i++ ) fprintf( stderr, " %03d", topol[k][0][i] ); + fprintf( stderr, "\n" ); + fprintf( stderr, "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) fprintf( stderr, " %03d", topol[k][1][i] ); + fprintf( stderr, "\n" ); +#endif + } + fprintf( stderr, "\n" ); + +// FreeFloatMtx( eff ); +// FreeCharMtx( pair ); +// FreeFloatVec( tmplen ); +// free( ac ); +} +void supg( int nseq, double **oeff, int ***topol, double **len ) +{ + int i, j, k, miniim, maxiim, minijm, maxijm; +#if 0 + double eff[nseq][nseq]; + char pair[njob][njob]; +#else + static float *tmplen; + int *intpt; + float **floatptpt; + float *floatpt; + float tmpfloat; + float eff1, eff0; + static float **eff = NULL; + static char **pair = NULL; + if( !eff ) + { + eff = AllocateFloatMtx( njob, njob ); + pair = AllocateCharMtx( njob, njob ); + tmplen = AllocateFloatVec( njob ); + } +#endif + + + for( i=0; i 0 ) + *intpt++ = i; + *intpt = -1; + + intpt = topol[k][1]; + for( i=0; i 0 ) + *intpt++ = i; + *intpt = -1; + + len[k][0] = (double)minscore / 2.0 - tmplen[im]; + len[k][1] = (double)minscore / 2.0 - tmplen[jm]; + + tmplen[im] = (double)minscore / 2.0; + + for( i=0; i 0 ); + for( i=0; i-1; i++ ) printf( " %03d", topol[k][0][i] ); + printf( "\n" ); + printf( "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) printf( " %03d", topol[k][1][i] ); + printf( "\n" ); +#endif + } +} + +void spg( int nseq, double **oeff, int ***topol, double **len ) +{ + int i, j, k; + double tmplen[M]; +#if 0 + double eff[nseq][nseq]; + char pair[njob][njob]; +#else + double **eff = NULL; + char **pair = NULL; + if( !eff ) + { + eff = AllocateDoubleMtx( njob, njob ); + pair = AllocateCharMtx( njob, njob ); + } +#endif + + for( i=0; i 0 ) + { + topol[k][0][count] = i; + count++; + } + topol[k][0][count] = -1; + for( i=0, count=0; i 0 ) + { + topol[k][1][count] = i; + count++; + } + topol[k][1][count] = -1; + + len[k][0] = minscore / 2.0 - tmplen[im]; + len[k][1] = minscore / 2.0 - tmplen[jm]; + + tmplen[im] = minscore / 2.0; + + for( i=0; i 0 ); + for( i=0; i-1; i++ ) printf( " %03d", topol[k][0][i] ); + printf( "\n" ); + printf( "len1 = %f\n", len[k][1] ); + for( i=0; topol[k][1][i]>-1; i++ ) printf( " %03d", topol[k][1][i] ); + printf( "\n" ); +#endif + } +} + +double ipower( double x, int n ) /* n > 0 */ +{ + double r; + + r = 1; + while( n != 0 ) + { + if( n & 1 ) r *= x; + x *= x; n >>= 1; + } + return( r ); +} + +void countnode( int nseq, int ***topol, double **node ) /* node[j][i] != node[i][j] */ +{ + int i, j, k, s1, s2; + static double rootnode[M]; + + if( nseq-2 < 0 ) + { + fprintf( stderr, "Too few sequence for countnode: nseq = %d\n", nseq ); + exit( 1 ); + } + + for( i=0; i-1; j++ ) + rootnode[topol[i][0][j]]++; + for( j=0; topol[i][1][j]>-1; j++ ) + rootnode[topol[i][1][j]]++; + for( j=0; topol[i][0][j]>-1; j++ ) + { + s1 = topol[i][0][j]; + for( k=0; topol[i][1][k]>-1; k++ ) + { + s2 = topol[i][1][k]; + node[MIN(s1,s2)][MAX(s1,s2)] = rootnode[s1] + rootnode[s2] - 1; + } + } + } + for( j=0; topol[nseq-2][0][j]>-1; j++ ) + { + s1 = topol[nseq-2][0][j]; + for( k=0; topol[nseq-2][1][k]>-1; k++ ) + { + s2 = topol[nseq-2][1][k]; + node[MIN(s1,s2)][MAX(s1,s2)] = rootnode[s1] + rootnode[s2]; + } + } +} + +void countnode_int( int nseq, int ***topol, int **node ) /* node[i][j] == node[j][i] */ +{ + int i, j, k, s1, s2; + int rootnode[M]; + + for( i=0; i-1; j++ ) + rootnode[topol[i][0][j]]++; + for( j=0; topol[i][1][j]>-1; j++ ) + rootnode[topol[i][1][j]]++; + for( j=0; topol[i][0][j]>-1; j++ ) + { + s1 = topol[i][0][j]; + for( k=0; topol[i][1][k]>-1; k++ ) + { + s2 = topol[i][1][k]; + node[MIN(s1,s2)][MAX(s1,s2)] = rootnode[s1] + rootnode[s2] - 1; + } + } + } + for( j=0; topol[nseq-2][0][j]>-1; j++ ) + { + s1 = topol[nseq-2][0][j]; + for( k=0; topol[nseq-2][1][k]>-1; k++ ) + { + s2 = topol[nseq-2][1][k]; + node[MIN(s1,s2)][MAX(s1,s2)] = rootnode[s1] + rootnode[s2]; + } + } + for( i=0; i -1; j++ ) + { + rootnode[s1] += (double)len[i][0] * eff[s1]; + eff[s1] *= 0.5; +/* + rootnode[s1] *= 0.5; +*/ + + } + for( j=0; (s2=topol[i][1][j]) > -1; j++ ) + { + rootnode[s2] += (double)len[i][1] * eff[s2]; + eff[s2] *= 0.5; +/* + rootnode[s2] *= 0.5; +*/ + + } + } + for( i=0; i -1; j++ ) + { + rootnode[s1] += len[i][0] * eff[s1]; + eff[s1] *= 0.5; +/* + rootnode[s1] *= 0.5; +*/ + + } + for( j=0; (s2=topol[i][1][j]) > -1; j++ ) + { + rootnode[s2] += len[i][1] * eff[s2]; + eff[s2] *= 0.5; +/* + rootnode[s2] *= 0.5; +*/ + + } + } + for( i=0; i-1; j++ ) + rootnode[topol[i][0][j]]++; + for( j=0; topol[i][1][j]>-1; j++ ) + rootnode[topol[i][1][j]]++; + for( j=0; topol[i][0][j]>-1; j++ ) + { + s1 = topol[i][0][j]; + for( k=0; topol[i][1][k]>-1; k++ ) + { + s2 = topol[i][1][k]; + node[MIN(s1,s2)][MAX(s1,s2)] = rootnode[s1] + rootnode[s2] - 1; + } + } + } + for( j=0; topol[nseq-2][0][j]>-1; j++ ) + { + s1 = topol[nseq-2][0][j]; + for( k=0; topol[nseq-2][1][k]>-1; k++ ) + { + s2 = topol[nseq-2][1][k]; + node[MIN(s1,s2)][MAX(s1,s2)] = rootnode[s1] + rootnode[s2]; + } + } + for( i=0; i -1; j++ ) + { + rootnode[s1] += len[i][0] * eff[s1]; + eff[s1] *= 0.5; +/* + rootnode[s1] *= 0.5; +*/ + + } + for( j=0; (s2=topol[i][1][j]) > -1; j++ ) + { + rootnode[s2] += len[i][1] * eff[s2]; + eff[s2] *= 0.5; +/* + rootnode[s2] *= 0.5; +*/ + + } + } + for( i=0; ilen2 ) break; + continue; + } + if( ms2 == (int)'-' ) + { + tmpscore += (float)penalty; + tmpscore += (float)amino_dis[ms1][ms2]; + while( (ms2=(int)seq2[++k]) == (int)'-' ) + tmpscore += (float)amino_dis[ms1][ms2]; + k--; + if( k > len2 ) break; + continue; + } + } + return( tmpscore ); +} + +float score_calc1( char *seq1, char *seq2 ) /* method 1 */ +{ + int k; + float score = 0.0; + int count = 0; + int len = strlen( seq1 ); + + for( k=0; k 1 ) + { + if( utree == 0 ) + { + for( i=0; i 0.0 ) tmp /= count; + else( tmp = 0.0 ); + ch = (int)( tmp/100.0 - 0.000001 ); + sprintf( sco1+i, "%c", ch+0x61 ); + } + sco1[len] = 0; + + for( i=0; i 0.0 ) tmp /= count; + else( tmp = 0.0 ); + tmp = ( tmp - 400 * !scoremtx ) * 2; + if( tmp < 0 ) tmp = 0; + ch = (int)( tmp/100.0 - 0.000001 ); + sprintf( sco2+i, "%c", ch+0x61 ); + sco[i] = tmp; + } + sco2[len] = 0; + + for( i=WIN; i= bk+len1 ) { *str2 = *(str2-len1); str2--;} // by D.Mathog + while( str2 >= bk ) { *str2-- = *str1--; } +} + +int isaligned( int nseq, char **seq ) +{ + int i; + int len = strlen( seq[0] ); + for( i=1; i len-2 ) break; + continue; + } + if( mseq2[k] == '-' ) + { + tmpscore += penalty - n_dis[0][24]; + while( mseq2[++k] == '-' ) + ; + k--; + if( k > len-2 ) break; + continue; + } + } + score += (double)tmpscore / (double)c; +#if DEBUG + printf( "tmpscore in mltaln9.c = %f\n", tmpscore ); + printf( "tmpscore / c = %f\n", tmpscore/(double)c ); +#endif + } + } + fprintf( stderr, "raw score = %f\n", score ); + score /= (double)nseq * ( nseq-1.0 ) / 2.0; + score += 400.0; +#if DEBUG + printf( "score in mltaln9.c = %f\n", score ); +#endif + return( (double)score ); +} + +void floatncpy( float *vec1, float *vec2, int len ) +{ + while( len-- ) + *vec1++ = *vec2++; +} + +float score_calc_a( char **seq, int s, double **eff ) /* algorithm A+ */ +{ + int i, j, k; + int gb1, gb2, gc1, gc2; + int cob; + int nglen; + int len = strlen( seq[0] ); + float score; + + score = 0; + nglen = 0; + for( i=0; i len-2 ) break; + continue; + } + if( mseq2[k] == '-' ) + { + tmpscore += penalty; + while( mseq2[++k] == '-' ) + tmpscore += amino_dis[(int)mseq1[k]][(int)mseq2[k]]; + k--; + if( k > len-2 ) break; + continue; + } + } + score += (double)tmpscore; + } + } + + return( score ); +} + + +#define SEGMENTSIZE 150 + +int searchAnchors( int nseq, char **seq, Segment *seg ) +{ + int i, j, k, kcyc; + int status; + double score; + int value = 0; + int len; + int length; + static double *stra = NULL; + static int alloclen = 0; + double cumscore; + static double threshold; + + len = strlen( seq[0] ); + if( alloclen < len ) + { + if( alloclen ) + { + FreeDoubleVec( stra ); + } + else + { + threshold = (int)divThreshold / 100.0 * 600.0 * divWinSize; + } + stra = AllocateDoubleVec( len ); + alloclen = len; + } + + for( i=0; i=0; j-- ) + { + if( prf[j] ) + { + hat[pre] = j; + pre = j; + } + } + hat[pre] = -1; + + /* make site score */ + stra[i] = 0.0; + for( k=hat[26]; k!=-1; k=hat[k] ) + for( j=hat[26]; j!=-1; j=hat[j] ) + stra[i] += n_dis[k][j] * prf[k] * prf[j]; +#else + stra[i] = 0.0; + kcyc = nseq-1; + for( k=0; kskipForeward = 0; + (seg+1)->skipBackward = 0; + status = 0; + cumscore = 0.0; + score = 0.0; + length = 0; /* modified at 01/09/11 */ + for( j=0; j threshold ) fprintf( stderr, "YES\n" ); + else fprintf( stderr, "NO\n" ); +#endif + + if( score > threshold ) + { + if( !status ) + { + status = 1; + seg->start = i; + length = 0; + cumscore = 0.0; + } + length++; + cumscore += score; + } + if( score <= threshold || length > SEGMENTSIZE ) + { + if( status ) + { + seg->end = i; + seg->center = ( seg->start + seg->end + divWinSize ) / 2 ; + seg->score = cumscore; +#if DEBUG + fprintf( stderr, "%d-%d length = %d\n", seg->start, seg->end, length ); +#endif + if( length > SEGMENTSIZE ) + { + (seg+0)->skipForeward = 1; + (seg+1)->skipBackward = 1; + } + else + { + (seg+0)->skipForeward = 0; + (seg+1)->skipBackward = 0; + } + length = 0; + cumscore = 0.0; + status = 0; + value++; + seg++; + if( value > MAXSEG - 3 ) ErrorExit( "TOO MANY SEGMENTS!"); + } + } + } + if( status ) + { + seg->end = i; + seg->center = ( seg->start + seg->end + divWinSize ) / 2 ; + seg->score = cumscore; +#if DEBUG +fprintf( stderr, "%d-%d length = %d\n", seg->start, seg->end, length ); +#endif + value++; + } + return( value ); +} + +void dontcalcimportance( int nseq, double *eff, char **seq, LocalHom **localhom ) +{ + int i, j; + LocalHom *ptr; + static int *nogaplen = NULL; + + if( nogaplen == NULL ) + { + nogaplen = AllocateIntVec( nseq ); + } + + for( i=0; inext ) + { +// fprintf( stderr, "i,j=%d,%d,ptr=%p\n", i, j, ptr ); +#if 1 + ptr->importance = ptr->opt / ptr->overlapaa; + ptr->fimportance = (float)ptr->importance; +#else + ptr->importance = ptr->opt / MIN( nogaplen[i], nogaplen[j] ); +#endif + } + } + } +} + +void calcimportance( int nseq, double *eff, char **seq, LocalHom **localhom ) +{ + int i, j, pos, len; + static double *importance; + double tmpdouble; + static int *nogaplen = NULL; + LocalHom *tmpptr; + + if( importance == NULL ) + { + importance = AllocateDoubleVec( nlenmax ); + nogaplen = AllocateIntVec( nseq ); + } + + + for( i=0; istart1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->opt ); + } while( tmpptr=tmpptr->next ); + } +#endif + + + for( i=0; inext ) + { + if( tmpptr->opt == -1 ) continue; + for( pos=tmpptr->start1; pos<=tmpptr->end1; pos++ ) +#if 1 + importance[pos] += eff[j]; +#else + importance[pos] += eff[j] * tmpptr->opt / MIN( nogaplen[i], nogaplen[j] ); + importance[pos] += eff[j] * tmpptr->opt / tmpptr->overlapaa; +#endif + } + } +#if 0 + fprintf( stderr, "position specific importance of seq %d:\n", i ); + for( pos=0; posnext ) + { + if( tmpptr->opt == -1.0 ) continue; + tmpdouble = 0.0; + len = 0; + for( pos=tmpptr->start1; pos<=tmpptr->end1; pos++ ) + { + tmpdouble += importance[pos]; + len++; + } + tmpdouble /= (double)len; + + tmpptr->importance = tmpdouble * tmpptr->opt; + tmpptr->fimportance = (float)tmpptr->importance; + } +#else + tmpdouble = 0.0; + len = 0; + for( tmpptr = localhom[i]+j; tmpptr; tmpptr=tmpptr->next ) + { + if( tmpptr->opt == -1.0 ) continue; + for( pos=tmpptr->start1; pos<=tmpptr->end1; pos++ ) + { + tmpdouble += importance[pos]; + len++; + } + } + + tmpdouble /= (double)len; + + for( tmpptr = localhom[i]+j; tmpptr; tmpptr=tmpptr->next ) + { + if( tmpptr->opt == -1.0 ) continue; + tmpptr->importance = tmpdouble * tmpptr->opt; +// tmpptr->importance = tmpptr->opt / tmpptr->overlapaa; //$B$J$+$C$?$3$H$K$9$k(B + } +#endif + +// fprintf( stderr, "importance of match between %d - %d = %f\n", i, j, tmpdouble ); + } + } + +#if 0 + fprintf( stderr, "before averaging:\n" ); + + for( i=0; inext ) + { + fprintf( stderr, "reg1=%d-%d, reg2=%d-%d, imp=%f -> %f opt=%f\n", tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->opt / tmpptr->overlapaa, eff[i] * tmpptr->importance, tmpptr->opt ); + } + } +#endif + +#if 1 +// fprintf( stderr, "average?\n" ); + for( i=0; inext, tmpptr2 = tmpptr2->next) + { + if( tmpptr1->opt == -1.0 || tmpptr2->opt == -1.0 ) + { +// fprintf( stderr, "WARNING: i=%d, j=%d, tmpptr1->opt=%f, tmpptr2->opt=%f\n", i, j, tmpptr1->opt, tmpptr2->opt ); + continue; + } +// fprintf( stderr, "## importances = %f, %f\n", tmpptr1->importance, tmpptr2->importance ); + imp = 0.5 * ( tmpptr1->importance + tmpptr2->importance ); + tmpptr1->importance = tmpptr2->importance = imp; + tmpptr1->fimportance = tmpptr2->fimportance = (float)imp; + +// fprintf( stderr, "## importance = %f\n", tmpptr1->importance ); + + } + +#if 1 + if( ( tmpptr1 && !tmpptr2 ) || ( !tmpptr1 && tmpptr2 ) ) + { + fprintf( stderr, "ERROR: i=%d, j=%d\n", i, j ); + exit( 1 ); + } +#endif + } +#endif +#if 0 + fprintf( stderr, "after averaging:\n" ); + + for( i=0; inext ) + { + fprintf( stderr, "reg1=%d-%d, reg2=%d-%d, imp=%f -> %f opt=%f\n", tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->opt / tmpptr->overlapaa, tmpptr->importance, tmpptr->opt ); + } + } +#endif +} + + +#if 0 +void weightimportance( int nseq, double **eff, LocalHom **localhom ) +{ + int i, j, pos, len; + static double *importance; + double tmpdouble; + LocalHom *tmpptr, *tmpptr1, *tmpptr2; + if( importance == NULL ) + importance = AllocateDoubleVec( nlenmax ); + + + fprintf( stderr, "effmtx = :\n" ); + for( i=0; istart1; pos<=tmpptr->end1; pos++ ) +// importance[pos] += eff[i][j] * tmpptr->importance; + importance[pos] += eff[i][j] / (double)nseq * tmpptr->importance / 1.0; + fprintf( stderr, "eff[][] = %f, localhom[i][j].importance = %f \n", eff[i][j], tmpptr->importance ); + tmpptr = tmpptr->next; + if( tmpptr == NULL ) break; + } + + } +#if 0 + fprintf( stderr, "position specific importance of seq %d:\n", i ); + for( pos=0; posstart1; pos<=tmpptr->end1; pos++ ) + { + tmpdouble += importance[pos]; + len++; + } + tmpdouble /= (double)len; + tmpptr->importance = tmpdouble; + fprintf( stderr, "importance of match between %d - %d = %f\n", i, j, tmpdouble ); + tmpptr = tmpptr->next; + } while( tmpptr ); + } + } +#if 1 + for( i=0; iimportance += tmpptr2->importance; + tmpptr1->importance *= 0.5; + tmpptr2->importance *= tmpptr1->importance; + fprintf( stderr, "%d-%d: s1=%d, e1=%d, s2=%d, e2=%d, importance=%f\n", i, j, tmpptr1->start1, tmpptr1->end1, tmpptr1->start2, tmpptr1->end2, tmpptr1->importance ); + tmpptr1 = tmpptr1->next; + tmpptr2 = tmpptr2->next; + fprintf( stderr, "tmpptr1 = %p, tmpptr2 = %p\n", tmpptr1, tmpptr2 ); + } + } +#endif +} + +void weightimportance2( int nseq, double *eff, LocalHom **localhom ) +{ + int i, j, pos, len; + static double *wimportance; + double tmpdouble; + if( wimportance == NULL ) + wimportance = AllocateDoubleVec( nlenmax ); + + + fprintf( stderr, "effmtx = :\n" ); + for( i=0; iwimportance = tmpptr->importance * eff1[i] * eff2[j]; + tmpptr = tmpptr->next; + } while( tmpptr ); + } + } +} + +static void addlocalhom_e( LocalHom *localhom, int start1, int start2, int end1, int end2, double opt ) +{ + LocalHom *tmpptr; + tmpptr = localhom; + + fprintf( stderr, "adding localhom\n" ); + while( tmpptr->next ) + tmpptr = tmpptr->next; + fprintf( stderr, "allocating localhom\n" ); + tmpptr->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + fprintf( stderr, "done\n" ); + tmpptr = tmpptr->next; + + tmpptr->start1 = start1; + tmpptr->start2 = start2; + tmpptr->end1 = end1; + tmpptr->end2 = end2; + tmpptr->opt = opt; + + fprintf( stderr, "start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); +} + +#if 0 +#endif + + + +void extendlocalhom( int nseq, LocalHom **localhom ) +{ + int i, j, k, pos0, pos1, pos2, st; + int start1, start2, end1, end2; + static int *tmpint1 = NULL; + static int *tmpint2 = NULL; + static int *tmpdouble1 = NULL; + static int *tmpdouble2 = NULL; + double opt; + LocalHom *tmpptr; + if( tmpint1 == NULL ) + { + tmpint1 = AllocateIntVec( nlenmax ); + tmpint2 = AllocateIntVec( nlenmax ); + tmpdouble1 = AllocateIntVec( nlenmax ); + tmpdouble2 = AllocateIntVec( nlenmax ); + } + + + for( k=0; kstart1; + pos1 = tmpptr->start2; + while( pos0<=tmpptr->end1 ) + { + tmpint1[pos0] = pos1++; + tmpdouble1[pos0] = tmpptr->opt; + pos0++; + } + } while( tmpptr = tmpptr->next ); + + + for( j=i+1; jstart1; + pos2 = tmpptr->start2; + while( pos0<=tmpptr->end1 ) + { + tmpint2[pos0] = pos2++; + tmpdouble2[pos0++] = tmpptr->opt; + } + } while( tmpptr = tmpptr->next ); + +#if 0 + + fprintf( stderr, "i,j=%d,%d\n", i, j ); + + for( pos0=0; pos0= 0 && tmpint2[pos0] >= 0 ) + { + if( st == 0 ) + { + st = 1; + start1 = tmpint1[pos0]; + start2 = tmpint2[pos0]; + opt = MIN( tmpdouble1[pos0], tmpdouble2[pos0] ); + } + else if( tmpint1[pos0-1] != tmpint1[pos0]-1 || tmpint2[pos0-1] != tmpint2[pos0]-1 ) + { + addlocalhom_e( localhom[i]+j, start1, start2, tmpint1[pos0-1], tmpint2[pos0-1], opt ); + addlocalhom_e( localhom[j]+i, start2, start1, tmpint2[pos0-1], tmpint1[pos0-1], opt ); + start1 = tmpint1[pos0]; + start2 = tmpint2[pos0]; + opt = MIN( tmpdouble1[pos0], tmpdouble2[pos0] ); + } + } + if( tmpint1[pos0] == -1 || tmpint2[pos0] == -1 ) + { + if( st == 1 ) + { + st = 0; + addlocalhom_e( localhom[i]+j, start1, start2, tmpint1[pos0-1], tmpint2[pos0-1], opt ); + addlocalhom_e( localhom[j]+i, start2, start1, tmpint2[pos0-1], tmpint1[pos0-1], opt ); + } + } + } + } + } + } +} +#endif + +static void addlocalhom2_e( LocalHom *pt, LocalHom *lh, int sti, int stj, int eni, int enj, double opt, int overlp, int interm ) +{ +// dokka machigatteru + if( pt != lh ) // susumeru + { + pt->next = (LocalHom *)calloc( 1, sizeof( LocalHom ) ); + pt = pt->next; + pt->next = NULL; + lh->last = pt; + } + else // sonomamatsukau + { + lh->last = pt; + } + lh->nokori++; +// fprintf( stderr, "in addlocalhom2_e, pt = %p, pt->next = %p, interm=%d, sti-eni-stj-enj=%d %d %d %d\n", pt, pt->next, interm, sti, eni, stj, enj ); + + pt->start1 = sti; + pt->start2 = stj; + pt->end1 = eni; + pt->end2 = enj; + pt->opt = opt; + pt->extended = interm; + pt->overlapaa = overlp; +#if 0 + fprintf( stderr, "i: %d-%d\n", sti, eni ); + fprintf( stderr, "j: %d-%d\n", stj, enj ); + fprintf( stderr, "opt=%f\n", opt ); + fprintf( stderr, "overlp=%d\n", overlp ); +#endif +} + +void extendlocalhom2( int nseq, LocalHom **localhom, double **dist ) +{ + int overlp, plim; + int i, j, k; + int pi, pj, pk, len; + int status, sti, stj; + int *ipt; + int co; + static int *ini = NULL; + static int *inj = NULL; + LocalHom *pt; + + sti = 0; // by D.Mathog, a guess + stj = 0; // by D.Mathog, a guess + + if( ini == NULL ) + { + ini = AllocateIntVec( nlenmax+1 ); + inj = AllocateIntVec( nlenmax+1 ); + } + + + for( i=0; i dist[i][j] * thrinter || dist[MIN(j,k)][MAX(j,k)] > dist[i][j] * thrinter ) continue; + ipt = ini; co = nlenmax+1; + while( co-- ) *ipt++ = -1; + ipt = inj; co = nlenmax+1; + while( co-- ) *ipt++ = -1; + overlp = 0; + + { + for( pt=localhom[i]+k; pt; pt=pt->next ) + { +// fprintf( stderr, "i=%d,k=%d,st1:st2=%d:%d,pt=%p,extended=%p\n", i, k, pt->start1, pt->start2, pt, pt->extended ); + if( pt->opt == -1 ) + { + fprintf( stderr, "opt kainaide tbfast.c = %f\n", pt->opt ); + } + if( pt->extended > -1 ) break; + pi = pt->start1; + pk = pt->start2; + len = pt->end1 - pt->start1 + 1; + ipt = ini + pk; + while( len-- ) *ipt++ = pi++; + } + } + + { + for( pt=localhom[j]+k; pt; pt=pt->next ) + { + if( pt->opt == -1 ) + { + fprintf( stderr, "opt kainaide tbfast.c = %f\n", pt->opt ); + } + if( pt->extended > -1 ) break; + pj = pt->start1; + pk = pt->start2; + len = pt->end1 - pt->start1 + 1; + ipt = inj + pk; + while( len-- ) *ipt++ = pj++; + } + } +#if 0 + fprintf( stderr, "i=%d,j=%d,k=%d\n", i, j, k ); + overlp = 0; + for( pk = 0; pk < nlenmax; pk++ ) + { + if( ini[pk] != -1 && inj[pk] != -1 ) overlp++; + fprintf( stderr, " %d", inj[pk] ); + } + fprintf( stderr, "\n" ); + + fprintf( stderr, "i=%d,j=%d,k=%d\n", i, j, k ); + overlp = 0; + for( pk = 0; pk < nlenmax; pk++ ) + { + if( ini[pk] != -1 && inj[pk] != -1 ) overlp++; + fprintf( stderr, " %d", ini[pk] ); + } + fprintf( stderr, "\n" ); +#endif + overlp = 0; + plim = nlenmax+1; + for( pk = 0; pk < plim; pk++ ) + if( ini[pk] != -1 && inj[pk] != -1 ) overlp++; + + + status = 0; + plim = nlenmax+1; + for( pk=0; pknext = %p, pt->next->next = %p\n", pt, pt->next, pt->next->next ); + + pt = localhom[j][i].last; +// fprintf( stderr, "in ex (ba), pt = %p, pt->next = %p\n", pt, pt->next ); +// fprintf( stderr, "in ex (ba), pt = %p, pt->next = %p, k=%d\n", pt, pt->next, k ); + addlocalhom2_e( pt, localhom[j]+i, stj, sti, inj[pk-1], ini[pk-1], MIN( localhom[i][k].opt, localhom[j][k].opt ) * 1.0, overlp, k ); +// fprintf( stderr, "in ex, pt = %p, pt->next = %p, pt->next->next = %p\n", pt, pt->next, pt->next->next ); + } + } + if( !status ) // else deha arimasenn. + { + if( ini[pk] == -1 || inj[pk] == -1 ) continue; + sti = ini[pk]; + stj = inj[pk]; +// fprintf( stderr, "start here!\n" ); + status = 1; + } + } +// if( status ) fprintf( stderr, "end here\n" ); + +// exit( 1 ); +// fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->next ); + } +#if 0 + for( pt=localhomtable[i]+j; pt; pt=pt->next ) + { + if( tmpptr->opt == -1.0 ) continue; + fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->next ); + } +#endif + } + } +} + +int makelocal( char *s1, char *s2, int thr ) +{ + int start, maxstart, maxend; + char *pt1, *pt2; + double score; + double maxscore; + + pt1 = s1; + pt2 = s2; + + maxend = 0; // by D.Mathog, a guess + +// fprintf( stderr, "thr = %d, \ns1 = %s\ns2 = %s\n", thr, s1, s2 ); + maxscore = 0.0; + score = 0.0; + start = 0; + maxstart = 0; + while( *pt1 ) + { +// fprintf( stderr, "*pt1 = %c*pt2 = %c\n", *pt1, *pt2 ); + if( *pt1 == '-' || *pt2 == '-' ) + { +// fprintf( stderr, "penalty = %d\n", penalty ); + score += penalty; + while( *pt1 == '-' || *pt2 == '-' ) + { + pt1++; pt2++; + } + continue; + } + + score += ( amino_dis[(int)*pt1++][(int)*pt2++] - thr ); +// score += ( amino_dis[(int)*pt1++][(int)*pt2++] ); + if( score > maxscore ) + { +// fprintf( stderr, "score = %f\n", score ); + maxscore = score; + maxstart = start; +// fprintf( stderr, "## max! maxstart = %d, start = %d\n", maxstart, start ); + } + if( score < 0.0 ) + { +// fprintf( stderr, "## resetting, start = %d, maxstart = %d\n", start, maxstart ); + if( start == maxstart ) + { + maxend = pt1 - s1; +// fprintf( stderr, "maxend = %d\n", maxend ); + } + score = 0.0; + start = pt1 - s1; + } + } + if( start == maxstart ) + maxend = pt1 - s1 - 1; + +// fprintf( stderr, "maxstart = %d, maxend = %d, maxscore = %f\n", maxstart, maxend, maxscore ); + s1[maxend+1] = 0; + s2[maxend+1] = 0; + return( maxstart ); +} + +void resetlocalhom( int nseq, LocalHom **lh ) +{ + int i, j; + LocalHom *pt; + + for( i=0; inext ) + pt->opt = 1.0; + } + +} + +void gapireru( char *res, char *ori, char *gt ) +{ + char g; + while( (g = *gt++) ) + { + if( g == '-' ) + { + *res++ = *newgapstr; + } + else + { + *res++ = *ori++; + } + } + *res = 0; +} + +void getkyokaigap( char *g, char **s, int pos, int n ) +{ +// char *bk = g; +// while( n-- ) *g++ = '-'; + while( n-- ) *g++ = (*s++)[pos]; + +// fprintf( stderr, "bk = %s\n", bk ); +} + +void new_OpeningGapCount( float *ogcp, int clus, char **seq, double *eff, int len, char *sgappat ) +#if 0 +{ + int i, j, gc, gb; + float feff; + + + for( i=0; i", i, gaplen, k, (*fpt)[k].freq ); + (*fpt)[k].freq += feff; +// fprintf( stderr, "%f\n", (*fpt)[k].freq ); + gaplen = 0; + } + } + fpt++; + } + } +#if 1 + for( j=0; j +#include +#include +#include +#include "mtxutl.h" + +void MtxuntDouble( double **mtx, int n ) +{ + int i, j; + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "seed = %s\n", inputfile ); + --argc; + goto nextoption; + case 't': + nhomologs = atoi( *++argv ); + fprintf( stderr, "nhomologs = %d\n", nhomologs ); + --argc; + goto nextoption; + case 'o': + seedoffset = atoi( *++argv ); + fprintf( stderr, "seedoffset = %d\n", seedoffset ); + --argc; + goto nextoption; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +int countamino( char *s, int end ) +{ + int val = 0; + while( end-- ) + if( *s++ != '-' ) val++; + return( val ); +} + +static void pairalign( char name[M][B], int nlen[M], char **seq, double *effarr, int alloclen ) +{ + int i, j; + FILE *hat3p; + float pscore = 0.0; // by D.Mathog + static double *effarr1 = NULL; + static double *effarr2 = NULL; + char *aseq; + static char **pseq; + LocalHom **localhomtable, *tmpptr; + double tsuyosa; + + if( nhomologs < 1 ) nhomologs = 1; // tsuyosa=0.0 wo sakeru + tsuyosa = (double)nhomologs * nhomologs * TSUYOSAFACTOR; + fprintf( stderr, "tsuyosa = %f\n", tsuyosa ); + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; inext ) + { + if( tmpptr->opt == -1.0 ) continue; + if( tmpptr->start1 == -1 ) continue; + fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d k\n", i+seedoffset, j+seedoffset, tmpptr->overlapaa, tmpptr->opt * tsuyosa, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2 ); + } + } + } + fprintf( stderr, "\n" ); + fclose( hat3p ); + +#if DEBUG + fprintf( stderr, "calling FreeLocalHomTable\n" ); +#endif + FreeLocalHomTable( localhomtable, njob ); +#if DEBUG + fprintf( stderr, "done. FreeLocalHomTable\n" ); +#endif +} + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else if( alg == 'S' ) + fprintf( fp, "Apgorithm S\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( treemethod == 'x' ) + fprintf( fp, "Tree = UPGMA (3).\n" ); + else if( treemethod == 's' ) + fprintf( fp, "Tree = UPGMA (2).\n" ); + else if( treemethod == 'p' ) + fprintf( fp, "Tree = UPGMA (1).\n" ); + else + fprintf( fp, "Unknown tree.\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int nlen[M]; + static char name[M][B], **seq; + static char **bseq; + static double *eff; + int i; + char c; + int alloclen; + FILE *infp; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + getnumlen( infp ); + rewind( infp ); + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*9+1 ); + bseq = AllocateCharMtx( njob, nlenmax*9+1 ); + alloclen = nlenmax*9; + + eff = AllocateDoubleVec( njob ); + +#if 0 + Read( name, nlen, seq ); +#else + readData( infp, name, nlen, seq ); +#endif + fclose( infp ); + + constants( njob, seq ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illeagal character %c\n", c ); + exit( 1 ); + } + +// writePre( njob, name, nlen, seq, 0 ); + + for( i=0; i_seed_%s\n%s\n", name[i]+1, bseq[i] ); + + pairalign( name, nlen, seq, eff, alloclen ); + + fprintf( trap_g, "done.\n" ); +#if DEBUG + fprintf( stderr, "closing trap_g\n" ); +#endif + fclose( trap_g ); + +#if IODEBUG + fprintf( stderr, "OSHIMAI\n" ); +#endif + SHOWVERSION; + return( 0 ); +} diff --git a/binaries/src/mafft/core/newick2mafft.rb b/binaries/src/mafft/core/newick2mafft.rb new file mode 100644 index 0000000..b74ba36 --- /dev/null +++ b/binaries/src/mafft/core/newick2mafft.rb @@ -0,0 +1,132 @@ +#! /usr/bin/env ruby + +#version 2, 2009/01/24 + + +if ARGV.length == 1 + scale = 1.0 +elsif ARGV.length == 2 + scale = ARGV.shift.to_f +else + STDERR.puts "USAGE: newick2mafft.rb scale input_tree > output" + exit +end + +if scale <= 0.0 then + STDERR.puts "Inappropriate scale, #{scale.to_s}" + exit +end + +STDERR.puts "scale = " + scale.to_s + +infp = File.open( ARGV.shift, "r" ) + +tree = "" +while line = infp.gets + tree += line.strip + break if tree =~ /;$/ +end +infp.close + + +#tree = tree.gsub( /_.*?:/, ":" ).gsub(/[0-9]\.[0-9]*e-[0-9][0-9]/, "0").gsub(/\[.*?\]/,"").gsub(/ /, "").gsub(/:\-[0-9\.]+/, ":0.0" ) +tree = tree.gsub( /_.*?:/, ":" ).gsub(/[0-9]\.[0-9]*e-[0-9][0-9]/, "0").gsub(/\[.*?\]/,"").gsub(/ /, "") + + +STDERR.puts "Initial tree = " + tree + +def resolve( tree ) + + +while 1 +# p tree + tree.sub!( /\,([0-9]+):(\-?[0-9\.]+)\,([0-9]+):(\-?[0-9\.]+)/, ",XXX" ) + hit1 = $1 + hit2 = $2 + hit3 = $3 + hit4 = $4 + +# p hit1 +# p hit2 +# p hit3 +# p hit4 + +# puts "introduce XXX" +# p tree + + break unless tree.index(/XXX/) + + poshit = tree.index(/XXX/) +# puts "poshit=" + poshit.to_s + + i = poshit + height = 0 + while i >= 0 + break if height == 0 && tree[i..i] == '(' + if tree[i..i] == ')' then + height += 1 + elsif tree[i..i] == '(' then + height -= 1 + end + i -= 1 + end + + poskakko = i +# puts "poskakko = " + poskakko.to_s + zenhan = tree[0..poskakko] + zenhan = "" if poskakko == -1 +# puts "zenhan = " + zenhan + + treelen = tree.length + tree = zenhan + "(" + tree[poskakko+1..treelen] +# puts "add (" +# p tree + tree.sub!( /XXX/, "#{hit1}:#{hit2}):0,#{hit3}:#{hit4}" ) + +# p tree +end + + +return tree + +end + +memi = [-1,-1] +leni = [-1,-1] + +while tree.index( /\(/ ) + + tree = resolve( tree ) + + tree.sub!( /\(([0-9]+):(\-?[0-9\.]+),([0-9]+):(\-?[0-9\.]+)\)/, "XXX" ) + memi[0] = $1.to_i + leni[0] = $2.to_f * scale + memi[1] = $3.to_i + leni[1] = $4.to_f * scale + + if leni[0] > 10 || leni[1] > 10 then + STDERR.puts "" + STDERR.puts "Please check the scale of branch length!" + STDERR.puts "The unit of branch lengths must be 'substitution/site'" + STDERR.puts "If the unit is 'substition' in your tree, please" + STDERR.puts "use the scale argument," + STDERR.puts "% newick2mafft scale in > out" + STDERR.puts "where scale = 1/(alignment length)" + STDERR.puts "" + exit 1 + end + +# STDERR.puts "subtree = " + $& + + if memi[1] < memi[0] then + memi.reverse! + leni.reverse! + end + + tree.sub!( /XXX/, memi[0].to_s ) + + STDERR.puts "Tree = " + tree + + printf( "%5d %5d %10.5f %10.5f\n", memi[0], memi[1], leni[0], leni[1] ) + +end diff --git a/binaries/src/mafft/core/nj.c b/binaries/src/mafft/core/nj.c new file mode 100644 index 0000000..0adf4e5 --- /dev/null +++ b/binaries/src/mafft/core/nj.c @@ -0,0 +1,195 @@ +#include "mltaln.h" +#define DEBUG 0 + + +void topolcpy( int s1[], int s2[], int *mpt1, int *mpt2 ) +{ + int i; + + *mpt1 = *mpt2; + for( i=0; i<*mpt2; i++ ) + { + s1[i] = s2[i]; + } +} + +void topolcat( int s1[], int s2[], int *mpt1, int *mpt2 ) +{ + int i; + + for( i=*mpt1; i<*mpt1+*mpt2; i++ ) + { + s1[i] = s2[i-*mpt1]; + } + *mpt1 += *mpt2; +} + +void topolsort( int m, int s[] ) +{ + int i, j, im; + int sm; + + for( j=0; j2; n--, m=nseq-n ) + { + t = 0.0; + for( i=0; i 0 ) + { + topol[m][0][count] = l; + count++; + } + mem[m][0] = count; + for( l=0, count=0; l 0 ) + { + topol[m][1][count] = l; + count++; + } + mem[m][1] = count; + for( l=0; l 0 ); + if( n > 3 ) reduc( mtx, nseq, im, jm ); + } + for( i=0; i 0 ) + { + topol[m][0][count] = l; + count++; + } + mem[m][0] = count; + /* + printf( " total length == %f\n", totallen ); + */ + + topolcpy( topol[nseq-2][1], topol[nseq-3][0], mem[nseq-2]+1, mem[nseq-3] ); + topolcat( topol[nseq-2][1], topol[nseq-3][1], mem[nseq-2]+1, mem[nseq-3]+1 ); + topolsort( mem[nseq-2][1], topol[nseq-2][1] ); + + if( topol[nseq-2][0][0] > topol[nseq-2][1][0] ) + topolswap( topol[nseq-2][0], topol[nseq-2][1], mem[nseq-2], mem[nseq-2]+1 ); + +} diff --git a/binaries/src/mafft/core/pair2hat3s.c b/binaries/src/mafft/core/pair2hat3s.c new file mode 100644 index 0000000..e6e76f5 --- /dev/null +++ b/binaries/src/mafft/core/pair2hat3s.c @@ -0,0 +1,467 @@ +#include "mltaln.h" + +#define DEBUG 0 +#define IODEBUG 0 +#define SCOREOUT 1 +#define TSUYOSAFACTOR 100 + + +static char *pairfile; +static int nhomologs; + +void strip( char *s ) +{ + char *pt = s; + while( *++pt ) + if( *pt == '\n' ) *pt = 0; +} + +int searchused( char *q, char **keys, int n ) +{ + int i; + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'p': + pairfile = *++argv; + fprintf( stderr, "pairfile = %s\n", pairfile ); + --argc; + goto nextoption; + case 't': + nhomologs = atoi( *++argv ); + fprintf( stderr, "nhomologs = %d\n", nhomologs ); + --argc; + goto nextoption; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +int countamino( char *s, int end ) +{ + int val = 0; + while( end-- ) + if( *s++ != '-' ) val++; + return( val ); +} + +static void pairalign( char name[M][B], int nlen[M], char **seq, double *effarr, int alloclen ) +{ + FILE *tmpfp; + static char dumm1[B], dumm0[B]; + int i, j; + char *res; + FILE *hat3p; + static double *effarr1 = NULL; + static double *effarr2 = NULL; + static char **pseq; + LocalHom **localhomtable, *tmpptr; + float pscore = 0.0; // by D.Mathog, aguess + char *aseq = NULL; // by D.Mathog + char **usedseqs = NULL; // by D.Mathog + char **usednames = NULL; // by D.Mathog + int nused; + double tsuyosa; + + tsuyosa = (double)nhomologs * (nhomologs-1) / njob * TSUYOSAFACTOR; + fprintf( stderr, "tsuyosa = %f\n", tsuyosa ); + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; inext ) + { + if( tmpptr->opt == -1.0 ) continue; + fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt * tsuyosa, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, (void *)tmpptr->next ); + } + } + fclose( tmpfp ); + fclose( hat3p ); + + for( i=0; i%s\n%s\n", usednames[i], usedseqs[i] ); + + +#if 0 + fprintf( stderr, "##### writing hat3\n" ); + hat3p = fopen( "hat3", "w" ); + if( !hat3p ) ErrorExit( "Cannot open hat3." ); + ilim = njob-1; + for( i=0; inext ) + { + if( tmpptr->opt == -1.0 ) continue; + fprintf( hat3p, "%d %d %d %6.3f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt * tsuyosa, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, tmpptr->next ); + } + } + } + fclose( hat3p ); +#endif +#if DEBUG + fprintf( stderr, "calling FreeLocalHomTable\n" ); +#endif + FreeLocalHomTable( localhomtable, njob ); +#if DEBUG + fprintf( stderr, "done. FreeLocalHomTable\n" ); +#endif +} + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else if( alg == 'S' ) + fprintf( fp, "Apgorithm S\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( treemethod == 'x' ) + fprintf( fp, "Tree = UPGMA (3).\n" ); + else if( treemethod == 's' ) + fprintf( fp, "Tree = UPGMA (2).\n" ); + else if( treemethod == 'p' ) + fprintf( fp, "Tree = UPGMA (1).\n" ); + else + fprintf( fp, "Unknown tree.\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int nlen[M]; + static char name[M][B], **seq; + static char **bseq; + static double *eff; + int i; + char c; + int alloclen; + FILE *infp; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + if( !pairfile ) + { + fprintf( stderr, "Usage: %s -p pairfile -i inputfile \n", argv[0] ); + exit( 1 ); + } + + getnumlen( infp ); + rewind( infp ); + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*9+1 ); + bseq = AllocateCharMtx( njob, nlenmax*9+1 ); + alloclen = nlenmax*9; + + eff = AllocateDoubleVec( njob ); + +#if 0 + Read( name, nlen, seq ); +#else + readData( infp, name, nlen, seq ); +#endif + fclose( infp ); + + constants( njob, seq ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illeagal character %c\n", c ); + exit( 1 ); + } + +// writePre( njob, name, nlen, seq, 0 ); + + for( i=0; i= s ) + { + if( *pos == '/' ) break; + } + + strcpy( s, pos+1 ); +} + +static char getchainid( char *s ) +{ + s += strlen( s ) - 2; + if( isspace( s[0] ) && isalnum( s[1] ) ) + return( s[1] ); + else + return( 'A' ); +} + +static void extractfirstword( char *s ) +{ + while( *s ) + { + if( isspace( *s ) ) break; + s++; + } + *s = 0; +} + +static char *strip( char *s ) +{ + char *v; + + while( *s ) + { + if( !isspace( *s ) ) break; + s++; + } + v = s; + + s += strlen( v ) - 1; + while( s>=v ) + { + if( !isspace( *s ) ) + { + *(s+1) = 0; + break; + } + s--; + } + + return( v ); +} + +#if 0 +static void makeequivdouble( double *d, char *c ) +{ + while( *c ) + { + *d++ = (double)( *c++ - '0' ); + } +} + +static void maskequiv( double *d, int n ) +{ + int halfwin; + int ok; + int i, j; + + halfwin = (int)( equivwinsize / 2 ); + + for( i=0; i 0.0 ) + { + len += 1; + d[i] = 0.0; + } + else + { + d[i] = 0.0; + if( len >= equivshortestlen ) + { + len++; + while( len-- ) d[i-len] = dbk[i-len]; + } + len = 0; + } + } + + if( len >= equivshortestlen ) + { + len++; + while( len-- ) d[n-len] = dbk[n-len]; + } + + free( dbk ); +} +#endif + +static void makeequivdouble_tmalign( double *d, char *c, int n ) +{ + double tmpd; + double *dbk; + int tmpi; + char s; + dbk = d; + while( *c ) + { + if( ( s=*c++ ) == ':' ) + tmpi = 9; + else if( s == '.' ) + tmpi = 4; + else + tmpi = 0; +// tmpd = (double)( tmpi + 1 - equivthreshold ) / ( 10 - equivthreshold ) * 9.0; +// if( tmpd < 0.0 ) tmpd = 0.0; + tmpd = (double)( tmpi ); +// *d++ = (int)tmpd; + *d++ = tmpd; + } + + d = dbk; +// maskequiv( d, n ); +} + +static void makeequivdouble_threshold( double *d, char *c, int n ) +{ + double tmpd; + double *dbk; + int tmpi; + dbk = d; + while( *c ) + { + tmpi = (int)( *c++ - '0' ); + tmpd = (double)( tmpi + 1 - equivthreshold ) / ( 10 - equivthreshold ) * 9.0; + if( tmpd < 0.0 ) tmpd = 0.0; +// *d++ = (int)tmpd; + *d++ = tmpd; + } + + d = dbk; + maskequiv( d, n ); +} + +static void readtmalign( FILE *fp, char *seq1, char *seq2, double *equiv ) +{ + static char *line = NULL; + static char *equivchar = NULL; + int n; + + + if( equivchar == NULL ) + { + equivchar = calloc( nlenmax * 2 + 1, sizeof( char ) ); + line = calloc( nlenmax * 2 + 1, sizeof( char ) ); + } + seq1[0] = 0; + seq2[0] = 0; + equivchar[0] = 0; + + +// system( "vi _tmalignout" ); + while( 1 ) + { + if( feof( fp ) ) + { + fprintf( stderr, "Error in TMalign\n" ); + exit( 1 ); + } + fgets( line, 999, fp ); +// fprintf( stdout, "line = :%s:\n", line ); + if( !strncmp( line+5, "denotes the residue pairs", 20 ) ) break; + } + fgets( line, nlenmax*2, fp ); + strcat( seq1, strip( line ) ); + + fgets( line, nlenmax*2, fp ); + strcat( equivchar, strip( line ) ); + + fgets( line, nlenmax*2, fp ); + strcat( seq2, strip( line ) ); + +#if 0 + printf( "seq1=%s\n", seq1 ); + printf( "seq2=%s\n", seq2 ); + printf( "equi=%s\n", equivchar ); +exit( 1 ); +#endif + n = strlen( seq1 ); + makeequivdouble_tmalign( equiv, equivchar, n ); + +#if 0 + fprintf( stdout, "\n" ); + for( i=0; i_dum", fname1, fname1 ); + res = system( com ); + sprintf( com, "ln -s %s %s.pdb 2>_dum", fname2, fname2 ); + res = system( com ); +#endif + sprintf( com, "\"%s/TMalign\" %s.pdb %s.pdb > _tmalignout 2>_dum", whereispairalign, fname1, fname2 ); + fprintf( stderr, "command = %s\n", com ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in TMalign\n" ); + exit( 1 ); + } + + } + else + { + fprintf( stderr, "Cache is not supported!\n" ); + exit( 1 ); + } + + fp = fopen( "_tmalignout", "r" ); + if( !fp ) + { + fprintf( stderr, "Cannot open _tmalignout\n" ); + exit( 1 ); + } + + readtmalign( fp, *mseq1, *mseq2, equiv ); + + fclose( fp ); + +// fprintf( stderr, "*mseq1 = %s\n", *mseq1 ); +// fprintf( stderr, "*mseq2 = %s\n", *mseq2 ); + + value = (float)naivepairscore11( *mseq1, *mseq2, penalty ); + + return( value ); +} + +static float callrash( int mem1, int mem2, char **mseq1, char **mseq2, double *equiv, char *fname1, char *chain1, char *fname2, char *chain2, int alloclen ) +{ + FILE *fp; + int res; + static char com[10000]; + float value; + char cachedir[10000]; + char cachefile[10000]; + int runnow; + char pairid[1000]; + + sprintf( pairid, "%d-%d", mem1, mem2 ); +// fprintf( stderr, "pairid = %s\n", pairid ); + + if( usecache ) + { + sprintf( cachedir, "%s/.rashoutcache", getenv( "HOME" ) ); + sprintf( com, "mkdir -p %s", cachedir ); + system( com ); + + sprintf( cachefile, "%s/%s%s-%s%s", cachedir, fname1, chain1, fname2, chain2 ); + + runnow = 0; + fp = fopen( cachefile, "r" ); + if( fp == NULL ) runnow = 1; + else + { + fgets( com, 100, fp ); + if( strncmp( com, "successful", 10 ) ) runnow = 1; + fclose( fp ); + } + } + else + { + runnow = 1; + } + + if( runnow ) + { +#if 0 + sprintf( com, "ln -s %s %s.pdb 2>_dum", fname1, fname1 ); + res = system( com ); + sprintf( com, "ln -s %s %s.pdb 2>_dum", fname2, fname2 ); + res = system( com ); +#endif +#if 0 // 091127, pdp nai! + sprintf( com, "env PATH=%s PDP_ASH.pl --qf %s.pdb --qc %s --tf %s.pdb --tc %s > _rashout 2>_dum", whereispairalign, fname1, chain1, fname2, chain2 ); +#else + sprintf( com, "\"%s/rash\" --qf %s.pdb --qc %s --tf %s.pdb --tc %s --of %s.pdbpair > %s.rashout 2>%s.dum", whereispairalign, fname1, chain1, fname2, chain2, pairid, pairid, pairid ); +#endif + fprintf( stderr, "command = %s\n", com ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in structural alignment\n" ); + exit( 1 ); + } + sprintf( com, "awk '/^REMARK/,/^TER/' %s.pdbpair > %s.%s-x-%s.%s.pdbpair", pairid, fname1, chain1, fname2, chain2 ); + res = system( com ); + + sprintf( com, "awk '/^REMARK/,/^TER/{next} 1' %s.pdbpair > %s.%s-x-%s.%s.pdbpair", pairid, fname2, chain2, fname1, chain1 ); + res = system( com ); + + sprintf( com, "rm %s.pdbpair", pairid ); + res = system( com ); + + + } + else + { + fprintf( stderr, "Use cache!\n" ); + sprintf( com, "grep -v successful %s > %s.rashout", cachefile, pairid ); + system( com ); + } + + if( usecache && runnow ) + { + sprintf( com, "echo successful > %s", cachefile ); + system( com ); + sprintf( com, "cat %s.rashout >> %s", pairid, cachefile ); + system( com ); + } + + sprintf( com, "%s.rashout", pairid ); + fp = fopen( com, "r" ); + if( !fp ) + { + fprintf( stderr, "Cannot open %s\n", com ); + exit( 1 ); + } + + readrash( fp, *mseq1, *mseq2, equiv ); + + fclose( fp ); + +// fprintf( stderr, "*mseq1 = %s\n", *mseq1 ); +// fprintf( stderr, "*mseq2 = %s\n", *mseq2 ); + + + value = (float)naivepairscore11( *mseq1, *mseq2, penalty ); + + return( value ); +} + +static void preparetmalign( FILE *fp, char ***strfiles, char ***chainids, char ***seqpt, char ***mseq1pt, char ***mseq2pt, double **equivpt, int *alloclenpt ) +{ + int i, res; + char *dumseq; + char line[1000]; + char fname[1000]; + char command[1000]; + int linenum, istr, nstr; + FILE *checkfp; + char *sline; + int use[1000]; + linenum = 0; + nstr = 0; + while( 1 ) + { + fgets( line, 999, fp ); + if( feof( fp ) ) break; + sline = strip( line ); + use[linenum] = 1; + if( sline[0] == '#' || strlen( sline ) < 2 ) + { + use[linenum] = 0; + linenum++; + continue; + } + extractfirstword( sline ); + checkfp = fopen( sline, "r" ); + if( checkfp == NULL ) + { + fprintf( stderr, "Cannot open %s.\n", sline ); + exit( 1 ); + } +#if 0 + fgets( linec, 999, checkfp ); + if( strncmp( "HEADER ", linec, 7 ) ) + { + fprintf( stderr, "Check the format of %s.\n", sline ); + exit( 1 ); + } +#endif + if( checkcbeta( checkfp ) ) + { + fprintf( stderr, "%s has no C-beta atoms.\n", sline ); + exit( 1 ); + } + else + nstr++; + fclose( checkfp ); + linenum++; + } + njob = nstr; + fprintf( stderr, "nstr = %d\n", nstr ); + + *strfiles = AllocateCharMtx( nstr, 1000 ); + *chainids = AllocateCharMtx( nstr, 2 ); + + rewind( fp ); + istr = 0; + linenum = 0; + while( 1 ) + { + fgets( line, 999, fp ); + if( feof( fp ) ) break; + sline = strip( line ); + if( use[linenum++] ) + { + (*chainids)[istr][0] = getchainid( sline ); + (*chainids)[istr][1] = 0; + extractfirstword( sline ); + sprintf( fname, "%s", sline ); + cutpath( fname ); + sprintf( command, "cp %s %s.pdb", sline, fname ); + system( command ); + sprintf( command, "perl \"%s/clean.pl\" %s.pdb", whereispairalign, fname ); + res = system( command ); + if( res ) + { + fprintf( stderr, "error: Install clean.pl\n" ); + exit( 1 ); + } + strcpy( (*strfiles)[istr++], fname ); + } + } + + *seqpt = AllocateCharMtx( njob, nlenmax*2+1 ); + *mseq1pt = AllocateCharMtx( njob, 0 ); + *mseq2pt = AllocateCharMtx( njob, 0 ); + *equivpt = AllocateDoubleVec( nlenmax*2+1 ); + *alloclenpt = nlenmax*2; + dumseq = AllocateCharVec( nlenmax*2+1 ); + alreadyoutput = AllocateIntVec( njob ); + for( i=0; i%d_%s-%s\n%s\n", i+1, (*strfiles)[i], (*chainids)[i], (*seqpt)[i] ); + alreadyoutput[i] = 1; + } +} + +static void prepareash( FILE *fp, char ***strfiles, char ***chainids, char ***seqpt, char ***mseq1pt, char ***mseq2pt, double **equivpt, int *alloclenpt ) +{ + int i, res; + char *dumseq; + char line[1000]; + char fname[1000]; + char command[1000]; + int linenum, istr, nstr; + FILE *checkfp; + char *sline; + int use[1000]; + linenum = 0; + nstr = 0; + while( 1 ) + { + fgets( line, 999, fp ); + if( feof( fp ) ) break; + sline = strip( line ); + use[linenum] = 1; + if( sline[0] == '#' || strlen( sline ) < 2 ) + { + use[linenum] = 0; + linenum++; + continue; + } + extractfirstword( sline ); + checkfp = fopen( sline, "r" ); + if( checkfp == NULL ) + { + fprintf( stderr, "Cannot open %s.\n", sline ); + exit( 1 ); + } +#if 0 + fgets( linec, 999, checkfp ); + if( strncmp( "HEADER ", linec, 7 ) ) + { + fprintf( stderr, "Check the format of %s.\n", sline ); + exit( 1 ); + } +#endif + if( checkcbeta( checkfp ) ) + { + fprintf( stderr, "%s has no C-beta atoms.\n", sline ); + exit( 1 ); + } + else + nstr++; + fclose( checkfp ); + linenum++; + } + njob = nstr; + fprintf( stderr, "nstr = %d\n", nstr ); + + *strfiles = AllocateCharMtx( nstr, 1000 ); + *chainids = AllocateCharMtx( nstr, 2 ); + + rewind( fp ); + istr = 0; + linenum = 0; + while( 1 ) + { + fgets( line, 999, fp ); + if( feof( fp ) ) break; + sline = strip( line ); + if( use[linenum++] ) + { + (*chainids)[istr][0] = getchainid( sline ); + (*chainids)[istr][1] = 0; + extractfirstword( sline ); + sprintf( fname, "%s", sline ); + cutpath( fname ); + sprintf( command, "cp %s %s.pdb", sline, fname ); + system( command ); + sprintf( command, "perl \"%s/clean.pl\" %s.pdb", whereispairalign, fname ); + res = system( command ); + if( res ) + { + fprintf( stderr, "error: Install clean.pl\n" ); + exit( 1 ); + } + strcpy( (*strfiles)[istr++], fname ); + } + } + + *seqpt = AllocateCharMtx( njob, nlenmax*2+1 ); + *mseq1pt = AllocateCharMtx( njob, 0 ); + *mseq2pt = AllocateCharMtx( njob, 0 ); + *equivpt = AllocateDoubleVec( nlenmax*2+1 ); + *alloclenpt = nlenmax*2; + dumseq = AllocateCharVec( nlenmax*2+1 ); + alreadyoutput = AllocateIntVec( njob ); + for( i=0; i%d_%s-%s\n%s\n", i+1, (*strfiles)[i], (*chainids)[i], (*seqpt)[i] ); + alreadyoutput[i] = 1; + } +} + +void arguments( int argc, char *argv[] ) +{ + int c; + + usecache = 0; + scale = 1.0; + equivthreshold = 5; + equivwinsize = 5; + equivshortestlen = 1; + inputfile = NULL; + fftkeika = 0; + pslocal = -1000.0; + constraint = 0; + nblosum = 62; + fmodel = 0; + calledByXced = 0; + devide = 0; + use_fft = 0; + fftscore = 1; + fftRepeatStop = 0; + fftNoAnchStop = 0; + weight = 3; + utree = 1; + tbutree = 1; + refine = 0; + check = 1; + cut = 0.0; + disp = 0; + outgap = 1; + alg = 'R'; + mix = 0; + tbitr = 0; + scmtd = 5; + tbweight = 0; + tbrweight = 3; + checkC = 0; + treemethod = 'x'; + contin = 0; + scoremtx = 1; + kobetsubunkatsu = 0; + divpairscore = 0; + dorp = NOTSPECIFIED; + ppenalty = NOTSPECIFIED; + ppenalty_OP = NOTSPECIFIED; + ppenalty_ex = NOTSPECIFIED; + ppenalty_EX = NOTSPECIFIED; + poffset = NOTSPECIFIED; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + geta2 = GETA2; + fftWinSize = NOTSPECIFIED; + fftThreshold = NOTSPECIFIED; + RNAppenalty = NOTSPECIFIED; + RNApthr = NOTSPECIFIED; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'O': + ppenalty_OP = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'E': + ppenalty_EX = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); +// fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; +// fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "TM %d\n", pamN ); + --argc; + goto nextoption; + case 'd': + whereispairalign = *++argv; + fprintf( stderr, "whereispairalign = %s\n", whereispairalign ); + --argc; + goto nextoption; + case 't': + equivthreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + equivwinsize = atoi( *++argv ); + --argc; + goto nextoption; + case 'l': + equivshortestlen = atoi( *++argv ); + --argc; + goto nextoption; + case 's': + scale = atof( *++argv ); + --argc; + goto nextoption; + case 'c': + usecache = 1; + break; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'e': + fftscore = 0; + break; +#if 0 + case 'O': + fftNoAnchStop = 1; + break; +#endif + case 'Q': + calledByXced = 1; + break; + case 'x': + disp = 1; + break; +#if 0 + case 'a': + alg = 'a'; + break; +#endif + case 'S': + alg = 'S'; + break; + case 'L': + alg = 'L'; + break; + case 'B': + alg = 'B'; + break; + case 'T': + alg = 'T'; + break; + case 'H': + alg = 'H'; + break; + case 'M': + alg = 'M'; + break; + case 'R': + alg = 'R'; + break; + case 'N': + alg = 'N'; + break; + case 'K': + alg = 'K'; + break; + case 'A': + alg = 'A'; + break; + case 'V': + alg = 'V'; + break; + case 'C': + alg = 'C'; + break; + case 'F': + use_fft = 1; + break; + case 'v': + tbrweight = 3; + break; + case 'y': + divpairscore = 1; + break; +/* Modified 01/08/27, default: user tree */ + case 'J': + tbutree = 0; + break; +/* modification end. */ +#if 0 + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; +#endif + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +int countamino( char *s, int end ) +{ + int val = 0; + while( end-- ) + if( *s++ != '-' ) val++; + return( val ); +} + +static void pairalign( char name[M][B], int nlen[M], char **seq, char **aseq, char **mseq1, char **mseq2, double *equiv, double *effarr, char **strfiles, char **chainids, int alloclen ) +{ + int i, j, ilim; + int clus1, clus2; + int off1, off2; + float pscore = 0.0; // by D.Mathog + static char *indication1, *indication2; + FILE *hat2p, *hat3p; + static double **distancemtx; + static double *effarr1 = NULL; + static double *effarr2 = NULL; + char *pt; + char *hat2file = "hat2"; + LocalHom **localhomtable, *tmpptr; + static char **pair; +// int intdum; + double bunbo; + char **checkseq; + + + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; i%d_%s-%s\n%s\n", i+1, strfiles[i], chainids[i], seq[i] ); + strcpy( checkseq[i], seq[i] ); + } + else + { + gappick0( seq[i], mseq1[0] ); + fprintf( stderr, "checking seq%d\n", i ); + +// fprintf( stderr, " seq=%s\n", seq[i] ); +// fprintf( stderr, "checkseq=%s\n", checkseq[i] ); + + if( strcmp( checkseq[i], seq[i] ) ) + { + fprintf( stderr, "\n\nWARNING: Sequence changed!!\n" ); + fprintf( stderr, "i=%d\n", i ); + fprintf( stderr, " seq=%s\n", seq[i] ); + fprintf( stderr, "checkseq=%s\n", checkseq[i] ); + exit( 1 ); + } + } + if( alreadyoutput[j] == 0 ) + { + alreadyoutput[j] = 1; + gappick0( seq[j], mseq2[0] ); + fprintf( stdout, ">%d_%s-%s\n%s\n", j+1, strfiles[j], chainids[j], seq[j] ); + strcpy( checkseq[j], seq[j] ); + } + else + { + gappick0( seq[j], mseq2[0] ); + fprintf( stderr, "checking seq%d\n", j ); + if( strcmp( checkseq[j], seq[j] ) ) + { + fprintf( stderr, "\n\nWARNING: Sequence changed!!\n" ); + fprintf( stderr, "j=%d\n", j ); + fprintf( stderr, " seq=%s\n", seq[j] ); + fprintf( stderr, "checkseq=%s\n", checkseq[j] ); + exit( 1 ); + } + } +#endif + } + } + for( i=0; inext ) + { + if( tmpptr->opt == -1.0 ) continue; + fprintf( hat3p, "%d %d %d %7.5f %d %d %d %d k\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2 ); + } + } + } + fclose( hat3p ); +#if DEBUG + fprintf( stderr, "calling FreeLocalHomTable\n" ); +#endif + FreeLocalHomTable( localhomtable, njob ); +#if DEBUG + fprintf( stderr, "done. FreeLocalHomTable\n" ); +#endif +} + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else if( alg == 'S' ) + fprintf( fp, "Apgorithm S\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int nlen[M]; + static char name[M][B], **seq; + static char **mseq1, **mseq2; + static char **aseq; + static char **bseq; + static double *eff; + static double *equiv; + char **strfiles; + char **chainids; + int i; + FILE *infp; + char c; + int alloclen; + + arguments( argc, argv ); + + if( equivthreshold < 1 || 9 < equivthreshold ) + { + fprintf( stderr, "-t n, n must be 1..9\n" ); + exit( 1 ); + } + + if( ( equivwinsize + 1 ) % 2 != 0 ) + { + fprintf( stderr, "equivwinsize = %d\n", equivwinsize ); + fprintf( stderr, "It must be an odd number.\n" ); + exit( 1 ); + } + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + nlenmax = 10000; // tekitou + + if( alg == 'R' ) + prepareash( infp, &strfiles, &chainids, &seq, &mseq1, &mseq2, &equiv, &alloclen ); + else if( alg == 'T' ) + preparetmalign( infp, &strfiles, &chainids, &seq, &mseq1, &mseq2, &equiv, &alloclen ); + + fclose( infp ); + + aseq = AllocateCharMtx( njob, nlenmax*2+1 ); + bseq = AllocateCharMtx( njob, nlenmax*2+1 ); + eff = AllocateDoubleVec( njob ); + + for( i=0; i M ) + { + fprintf( stderr, "The number of structures must be < %d\n", M ); + fprintf( stderr, "Please try sequence-based methods for such large data.\n" ); + exit( 1 ); + } + + + +#if 0 + readData( infp, name, nlen, seq ); +#endif + + constants( njob, seq ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illegal character %c\n", c ); + exit( 1 ); + } + +// writePre( njob, name, nlen, seq, 0 ); + + for( i=0; i%d\n", i+1 ); + fprintf( fp, "%s\n", mseq[i] ); + } + fclose( fp ); + + sprintf( com, "env PATH=%s foldalign210 %s _foldalignin > _foldalignout ", whereispairalign, foldalignopt ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in foldalign\n" ); + exit( 1 ); + } + +} + +static void calllara( int nseq, char **mseq, char *laraarg ) +{ + FILE *fp; + int i; + int res; + static char com[10000]; + + for( i=0; i%d\n", i+1 ); + fprintf( fp, "%s\n", mseq[i] ); + } + fclose( fp ); + + +// fprintf( stderr, "calling LaRA\n" ); + sprintf( com, "env PATH=%s:/bin:/usr/bin mafft_lara -i _larain -w _laraout -o _lara.params %s", whereispairalign, laraarg ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in lara\n" ); + exit( 1 ); + } +} + +static float recalllara( char **mseq1, char **mseq2, int alloclen ) +{ + static FILE *fp = NULL; + static char *ungap1; + static char *ungap2; + static char *ori1; + static char *ori2; + int res; + static char com[10000]; + float value; + + + if( fp == NULL ) + { + fp = fopen( "_laraout", "r" ); + if( fp == NULL ) + { + fprintf( stderr, "Cannot open _laraout\n" ); + exit( 1 ); + } + ungap1 = AllocateCharVec( alloclen ); + ungap2 = AllocateCharVec( alloclen ); + ori1 = AllocateCharVec( alloclen ); + ori2 = AllocateCharVec( alloclen ); + } + + + strcpy( ori1, *mseq1 ); + strcpy( ori2, *mseq2 ); + + fgets( com, 999, fp ); + myfgets( com, 9999, fp ); + strcpy( *mseq1, com ); + myfgets( com, 9999, fp ); + strcpy( *mseq2, com ); + + gappick0( ungap1, *mseq1 ); + gappick0( ungap2, *mseq2 ); + t2u( ungap1 ); + t2u( ungap2 ); + + if( strcmp( ungap1, ori1 ) || strcmp( ungap2, ori2 ) ) + { + fprintf( stderr, "SEQUENCE CHANGED!!\n" ); + fprintf( stderr, "*mseq1 = %s\n", *mseq1 ); + fprintf( stderr, "ungap1 = %s\n", ungap1 ); + fprintf( stderr, "ori1 = %s\n", ori1 ); + fprintf( stderr, "*mseq2 = %s\n", *mseq2 ); + fprintf( stderr, "ungap2 = %s\n", ungap2 ); + fprintf( stderr, "ori2 = %s\n", ori2 ); + exit( 1 ); + } + + value = (float)naivepairscore11( *mseq1, *mseq2, penalty ); + +// fclose( fp ); // saigo dake yatta houga yoi. + + return( value ); +} + +static float callmxscarna( char **mseq1, char **mseq2, int alloclen ) +{ + FILE *fp; + int res; + static char com[10000]; + float value; + + + t2u( *mseq1 ); + t2u( *mseq2 ); + fp = fopen( "_mxscarnain", "w" ); + if( !fp ) + { + fprintf( stderr, "Cannot open _mxscarnain\n" ); + exit( 1 ); + } + fprintf( fp, ">1\n" ); + fprintf( fp, "%s\n", *mseq1 ); + fprintf( fp, ">2\n" ); + fprintf( fp, "%s\n", *mseq2 ); + fclose( fp ); + + sprintf( com, "env PATH=%s mxscarna _mxscarnain > _mxscarnaout 2>/dev/null", whereispairalign ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in mxscarna\n" ); + exit( 1 ); + } + + fp = fopen( "_mxscarnaout", "r" ); + if( !fp ) + { + fprintf( stderr, "Cannot open _mxscarnaout\n" ); + exit( 1 ); + } + + fgets( com, 999, fp ); + load1SeqWithoutName_new( fp, *mseq1 ); + fgets( com, 999, fp ); + load1SeqWithoutName_new( fp, *mseq2 ); + + fclose( fp ); + +// fprintf( stderr, "*mseq1 = %s\n", *mseq1 ); +// fprintf( stderr, "*mseq2 = %s\n", *mseq2 ); + + value = (float)naivepairscore11( *mseq1, *mseq2, penalty ); + + return( value ); +} + + +void arguments( int argc, char *argv[] ) +{ + int c; + + foldalignopt[0] = 0; + laraparams = NULL; + inputfile = NULL; + fftkeika = 0; + pslocal = -1000.0; + constraint = 0; + nblosum = 62; + fmodel = 0; + calledByXced = 0; + devide = 0; + use_fft = 0; + fftscore = 1; + fftRepeatStop = 0; + fftNoAnchStop = 0; + weight = 3; + utree = 1; + tbutree = 1; + refine = 0; + check = 1; + cut = 0.0; + disp = 0; + outgap = 1; + alg = 'A'; + mix = 0; + tbitr = 0; + scmtd = 5; + tbweight = 0; + tbrweight = 3; + checkC = 0; + treemethod = 'x'; + contin = 0; + scoremtx = 1; + kobetsubunkatsu = 0; + divpairscore = 0; + dorp = NOTSPECIFIED; + ppenalty = NOTSPECIFIED; + ppenalty_OP = NOTSPECIFIED; + ppenalty_ex = NOTSPECIFIED; + ppenalty_EX = NOTSPECIFIED; + poffset = NOTSPECIFIED; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + geta2 = GETA2; + fftWinSize = NOTSPECIFIED; + fftThreshold = NOTSPECIFIED; + RNAppenalty = NOTSPECIFIED; + RNApthr = NOTSPECIFIED; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'O': + ppenalty_OP = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'E': + ppenalty_EX = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); +// fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; +// fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "TM %d\n", pamN ); + --argc; + goto nextoption; + case 'l': + ppslocal = (int)( atof( *++argv ) * 1000 + 0.5 ); + pslocal = (int)( 600.0 / 1000.0 * ppslocal + 0.5); +// fprintf( stderr, "ppslocal = %d\n", ppslocal ); +// fprintf( stderr, "pslocal = %d\n", pslocal ); + --argc; + goto nextoption; + case 'd': + whereispairalign = *++argv; + fprintf( stderr, "whereispairalign = %s\n", whereispairalign ); + --argc; + goto nextoption; + case 'p': + laraparams = *++argv; + fprintf( stderr, "laraparams = %s\n", laraparams ); + --argc; + goto nextoption; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'e': + fftscore = 0; + break; +#if 0 + case 'O': + fftNoAnchStop = 1; + break; +#endif + case 'Q': + calledByXced = 1; + break; + case 'x': + disp = 1; + break; +#if 0 + case 'a': + alg = 'a'; + break; +#endif + case 'S': + alg = 'S'; + break; + case 'L': + alg = 'L'; + break; + case 's': + alg = 's'; + break; + case 'B': + alg = 'B'; + break; + case 'T': + alg = 'T'; + break; + case 'H': + alg = 'H'; + break; + case 'M': + alg = 'M'; + break; + case 'R': + alg = 'R'; + break; + case 'N': + alg = 'N'; + break; + case 'A': + alg = 'A'; + break; + case 'V': + alg = 'V'; + break; + case 'C': + alg = 'C'; + break; + case 'F': + use_fft = 1; + break; + case 'v': + tbrweight = 3; + break; + case 'y': + divpairscore = 1; + break; +/* Modified 01/08/27, default: user tree */ + case 'J': + tbutree = 0; + break; +/* modification end. */ + case 'o': +// foldalignopt = *++argv; + strcat( foldalignopt, " " ); + strcat( foldalignopt, *++argv ); + fprintf( stderr, "foldalignopt = %s\n", foldalignopt ); + --argc; + goto nextoption; + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +int countamino( char *s, int end ) +{ + int val = 0; + while( end-- ) + if( *s++ != '-' ) val++; + return( val ); +} + +static void pairalign( char name[M][B], int nlen[M], char **seq, char **aseq, char **mseq1, char **mseq2, double *effarr, int alloclen ) +{ + int i, j, ilim; + int clus1, clus2; + int off1, off2; + float pscore = 0.0; // by D.Mathog + static char *indication1, *indication2; + FILE *hat2p, *hat3p; + static double **distancemtx; + static double *effarr1 = NULL; + static double *effarr2 = NULL; + char *pt; + char *hat2file = "hat2"; + LocalHom **localhomtable, *tmpptr; + static char **pair; + int intdum; + double bunbo; + + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; i%d\n%s\n>%d\n%s\n>\n", i, mseq1[0], j, mseq2[0] ); +#endif + +// putlocalhom2( mseq1[0], mseq2[0], localhomtable[i]+j, countamino( *mseq1, off1 ), countamino( *mseq2, off2 ), pscore, strlen( mseq1[0] ) ); +// fprintf( stderr, "pscore = %f\n", pscore ); + if( alg == 'H' ) +// if( alg == 'H' || alg == 's' || alg == 'B' ) // next version + putlocalhom_ext( mseq1[0], mseq2[0], localhomtable[i]+j, off1, off2, (int)pscore, strlen( mseq1[0] ) ); + else if( alg != 'S' && alg != 'V' ) + putlocalhom2( mseq1[0], mseq2[0], localhomtable[i]+j, off1, off2, (int)pscore, strlen( mseq1[0] ) ); + } + } + for( i=0; inext ) + { + if( tmpptr->opt == -1.0 ) continue; + fprintf( hat3p, "%d %d %d %7.5f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, (void *)tmpptr->next ); + } + } + } + fclose( hat3p ); +#if DEBUG + fprintf( stderr, "calling FreeLocalHomTable\n" ); +#endif + FreeLocalHomTable( localhomtable, njob ); +#if DEBUG + fprintf( stderr, "done. FreeLocalHomTable\n" ); +#endif +} + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else if( alg == 'S' ) + fprintf( fp, "Apgorithm S\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int nlen[M]; + static char name[M][B], **seq; + static char **mseq1, **mseq2; + static char **aseq; + static char **bseq; + static double *eff; + int i; + FILE *infp; + char c; + int alloclen; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + getnumlen( infp ); + rewind( infp ); + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + if( njob > M ) + { + fprintf( stderr, "The number of sequences must be < %d\n", M ); + fprintf( stderr, "Please try the splittbfast program for such large data.\n" ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*9+1 ); + aseq = AllocateCharMtx( njob, nlenmax*9+1 ); + bseq = AllocateCharMtx( njob, nlenmax*9+1 ); + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + alloclen = nlenmax*9; + + eff = AllocateDoubleVec( njob ); + +#if 0 + Read( name, nlen, seq ); +#else + readData( infp, name, nlen, seq ); +#endif + fclose( infp ); + + constants( njob, seq ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illegal character %c\n", c ); + exit( 1 ); + } + +// writePre( njob, name, nlen, seq, 0 ); + + for( i=0; i%d\n", i+1 ); + fprintf( fp, "%s\n", mseq[i] ); + } + fclose( fp ); + + sprintf( com, "env PATH=%s foldalign210 %s _foldalignin > _foldalignout ", whereispairalign, foldalignopt ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in foldalign\n" ); + exit( 1 ); + } + +} + +static void calllara( int nseq, char **mseq, char *laraarg ) +{ + FILE *fp; + int i; + int res; + static char com[10000]; + +// for( i=0; i%d\n", i+1 ); + fprintf( fp, "%s\n", mseq[i] ); + } + fclose( fp ); + + +// fprintf( stderr, "calling LaRA\n" ); + sprintf( com, "env PATH=%s:/bin:/usr/bin mafft_lara -i _larain -w _laraout -o _lara.params %s", whereispairalign, laraarg ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in lara\n" ); + exit( 1 ); + } +} + +static float recalllara( char **mseq1, char **mseq2, int alloclen ) +{ + static FILE *fp = NULL; + static char *ungap1; + static char *ungap2; + static char *ori1; + static char *ori2; +// int res; + static char com[10000]; + float value; + + + if( fp == NULL ) + { + fp = fopen( "_laraout", "r" ); + if( fp == NULL ) + { + fprintf( stderr, "Cannot open _laraout\n" ); + exit( 1 ); + } + ungap1 = AllocateCharVec( alloclen ); + ungap2 = AllocateCharVec( alloclen ); + ori1 = AllocateCharVec( alloclen ); + ori2 = AllocateCharVec( alloclen ); + } + + + strcpy( ori1, *mseq1 ); + strcpy( ori2, *mseq2 ); + + fgets( com, 999, fp ); + myfgets( com, 9999, fp ); + strcpy( *mseq1, com ); + myfgets( com, 9999, fp ); + strcpy( *mseq2, com ); + + gappick0( ungap1, *mseq1 ); + gappick0( ungap2, *mseq2 ); + t2u( ungap1 ); + t2u( ungap2 ); + t2u( ori1 ); + t2u( ori2 ); + + if( strcmp( ungap1, ori1 ) || strcmp( ungap2, ori2 ) ) + { + fprintf( stderr, "SEQUENCE CHANGED!!\n" ); + fprintf( stderr, "*mseq1 = %s\n", *mseq1 ); + fprintf( stderr, "ungap1 = %s\n", ungap1 ); + fprintf( stderr, "ori1 = %s\n", ori1 ); + fprintf( stderr, "*mseq2 = %s\n", *mseq2 ); + fprintf( stderr, "ungap2 = %s\n", ungap2 ); + fprintf( stderr, "ori2 = %s\n", ori2 ); + exit( 1 ); + } + + value = (float)naivepairscore11( *mseq1, *mseq2, penalty ); + +// fclose( fp ); // saigo dake yatta houga yoi. + + return( value ); +} + + +static float callmxscarna_giving_bpp( char **mseq1, char **mseq2, char **bpp1, char **bpp2, int alloclen, int i, int j ) +{ + FILE *fp; + int res; + char *com; + float value; + char *dirname; + + + dirname = calloc( 100, sizeof( char ) ); + com = calloc( 1000, sizeof( char ) ); + sprintf( dirname, "_%d-%d", i, j ); + sprintf( com, "rm -rf %s", dirname ); + system( com ); + sprintf( com, "mkdir %s", dirname ); + system( com ); + + + sprintf( com, "%s/_bpporg", dirname ); + fp = fopen( com, "w" ); + if( !fp ) + { + fprintf( stderr, "Cannot write to %s/_bpporg\n", dirname ); + exit( 1 ); + } + fprintf( fp, ">a\n" ); + while( *bpp1 ) + fprintf( fp, "%s", *bpp1++ ); + + fprintf( fp, ">b\n" ); + while( *bpp2 ) + fprintf( fp, "%s", *bpp2++ ); + fclose( fp ); + + sprintf( com, "tr -d '\\r' < %s/_bpporg > %s/_bpp", dirname, dirname ); + system( com ); // for cygwin, wakaran + + t2u( *mseq1 ); + t2u( *mseq2 ); + + sprintf( com, "%s/_mxscarnainorg", dirname ); + fp = fopen( com, "w" ); + if( !fp ) + { + fprintf( stderr, "Cannot open %s/_mxscarnainorg\n", dirname ); + exit( 1 ); + } + fprintf( fp, ">1\n" ); +// fprintf( fp, "%s\n", *mseq1 ); + write1seq( fp, *mseq1 ); + fprintf( fp, ">2\n" ); +// fprintf( fp, "%s\n", *mseq2 ); + write1seq( fp, *mseq2 ); + fclose( fp ); + + sprintf( com, "tr -d '\\r' < %s/_mxscarnainorg > %s/_mxscarnain", dirname, dirname ); + system( com ); // for cygwin, wakaran + +#if 0 + sprintf( com, "cd %s; %s/mxscarnamod -readbpp _mxscarnain > _mxscarnaout 2>_dum", dirname, whereispairalign ); +#else + sprintf( com, "_mxscarnash%s", dirname ); + fp = fopen( com, "w" ); + fprintf( fp, "cd %s\n", dirname ); + fprintf( fp, "%s/mxscarnamod -readbpp _mxscarnain > _mxscarnaout 2>_dum\n", whereispairalign ); + fprintf( fp, "exit $tatus\n" ); + fclose( fp ); + + sprintf( com, "tr -d '\\r' < _mxscarnash%s > _mxscarnash%s.unix", dirname, dirname ); + system( com ); // for cygwin, wakaran + + sprintf( com, "sh _mxscarnash%s.unix 2>_dum%s", dirname, dirname ); +#endif + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in mxscarna\n" ); + exit( 1 ); + } + + sprintf( com, "%s/_mxscarnaout", dirname ); + + fp = fopen( com, "r" ); + if( !fp ) + { + fprintf( stderr, "Cannot open %s/_mxscarnaout\n", dirname ); + exit( 1 ); + } + + fgets( com, 999, fp ); + load1SeqWithoutName_new( fp, *mseq1 ); + fgets( com, 999, fp ); + load1SeqWithoutName_new( fp, *mseq2 ); + + fclose( fp ); + +// fprintf( stderr, "*mseq1 = %s\n", *mseq1 ); +// fprintf( stderr, "*mseq2 = %s\n", *mseq2 ); + + value = (float)naivepairscore11( *mseq1, *mseq2, penalty ); + +#if 0 + sprintf( com, "rm -rf %s > /dev/null 2>&1", dirname ); + if( system( com ) ) + { + fprintf( stderr, "retrying to rmdir\n" ); + usleep( 2000 ); + system( com ); + } +#endif + + free( dirname ); + free( com ); + + + return( value ); +} + +#if 0 +static float callmxscarna_slow( char **mseq1, char **mseq2, int alloclen ) +{ + FILE *fp; + int res; + static char com[10000]; + float value; + + + t2u( *mseq1 ); + t2u( *mseq2 ); + fp = fopen( "_mxscarnain", "w" ); + if( !fp ) + { + fprintf( stderr, "Cannot open _mxscarnain\n" ); + exit( 1 ); + } + fprintf( fp, ">1\n" ); + fprintf( fp, "%s\n", *mseq1 ); + fprintf( fp, ">2\n" ); + fprintf( fp, "%s\n", *mseq2 ); + fclose( fp ); + + sprintf( com, "env PATH=%s mxscarnamod _mxscarnain > _mxscarnaout 2>_dum", whereispairalign ); + res = system( com ); + if( res ) + { + fprintf( stderr, "Error in mxscarna\n" ); + exit( 1 ); + } + + fp = fopen( "_mxscarnaout", "r" ); + if( !fp ) + { + fprintf( stderr, "Cannot open _mxscarnaout\n" ); + exit( 1 ); + } + + fgets( com, 999, fp ); + load1SeqWithoutName_new( fp, *mseq1 ); + fgets( com, 999, fp ); + load1SeqWithoutName_new( fp, *mseq2 ); + + fclose( fp ); + +// fprintf( stderr, "*mseq1 = %s\n", *mseq1 ); +// fprintf( stderr, "*mseq2 = %s\n", *mseq2 ); + + value = (float)naivepairscore11( *mseq1, *mseq2, penalty ); + + return( value ); +} +#endif + +static void readhat4( FILE *fp, char ***bpp ) +{ + char oneline[1000]; + int bppsize; + int onechar; +// double prob; +// int posi, posj; + + bppsize = 0; +// fprintf( stderr, "reading hat4\n" ); + onechar = getc(fp); +// fprintf( stderr, "onechar = %c\n", onechar ); + if( onechar != '>' ) + { + fprintf( stderr, "Format error\n" ); + exit( 1 ); + } + ungetc( onechar, fp ); + fgets( oneline, 999, fp ); + while( 1 ) + { + onechar = getc(fp); + ungetc( onechar, fp ); + if( onechar == '>' || onechar == EOF ) + { +// fprintf( stderr, "Next\n" ); + *bpp = realloc( *bpp, (bppsize+2) * sizeof( char * ) ); + (*bpp)[bppsize] = NULL; + break; + } + fgets( oneline, 999, fp ); +// fprintf( stderr, "oneline=%s\n", oneline ); +// sscanf( oneline, "%d %d %f", &posi, &posj, &prob ); +// fprintf( stderr, "%d %d -> %f\n", posi, posj, prob ); + *bpp = realloc( *bpp, (bppsize+2) * sizeof( char * ) ); + (*bpp)[bppsize] = calloc( 100, sizeof( char ) ); + strcpy( (*bpp)[bppsize], oneline ); + bppsize++; + } +} + +static void preparebpp( int nseq, char ***bpp ) +{ + FILE *fp; + int i; + + fp = fopen( "hat4", "r" ); + if( !fp ) + { + fprintf( stderr, "Cannot open hat4\n" ); + exit( 1 ); + } + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'O': + ppenalty_OP = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'E': + ppenalty_EX = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); +// fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; +// fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "TM %d\n", pamN ); + --argc; + goto nextoption; + case 'l': + ppslocal = (int)( atof( *++argv ) * 1000 + 0.5 ); + pslocal = (int)( 600.0 / 1000.0 * ppslocal + 0.5); +// fprintf( stderr, "ppslocal = %d\n", ppslocal ); +// fprintf( stderr, "pslocal = %d\n", pslocal ); + --argc; + goto nextoption; + case 'd': + whereispairalign = *++argv; + fprintf( stderr, "whereispairalign = %s\n", whereispairalign ); + --argc; + goto nextoption; + case 'p': + laraparams = *++argv; + fprintf( stderr, "laraparams = %s\n", laraparams ); + --argc; + goto nextoption; + case 'C': + nthread = atoi( *++argv ); + fprintf( stderr, "nthread = %d\n", nthread ); + --argc; + goto nextoption; + case 'c': + stdout_dist = 1; + break; + case 'n': + stdout_align = 1; + break; + case 'x': + store_localhom = 0; + store_dist = 0; + break; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'e': + fftscore = 0; + break; +#if 0 + case 'O': + fftNoAnchStop = 1; + break; +#endif + case 'Q': + calledByXced = 1; + break; +#if 0 + case 'x': + disp = 1; + break; + case 'a': + alg = 'a'; + break; +#endif + case 'S': + alg = 'S'; + break; + case 't': + alg = 't'; + store_localhom = 0; + break; + case 'L': + alg = 'L'; + break; + case 's': + alg = 's'; + break; + case 'B': + alg = 'B'; + break; + case 'T': + alg = 'T'; + break; + case 'H': + alg = 'H'; + break; + case 'M': + alg = 'M'; + break; + case 'R': + alg = 'R'; + break; + case 'N': + alg = 'N'; + break; + case 'K': + alg = 'K'; + break; + case 'A': + alg = 'A'; + break; + case 'V': + alg = 'V'; + break; + case 'F': + use_fft = 1; + break; + case 'v': + tbrweight = 3; + break; + case 'y': + divpairscore = 1; + break; +/* Modified 01/08/27, default: user tree */ + case 'J': + tbutree = 0; + break; +/* modification end. */ + case 'o': +// foldalignopt = *++argv; + strcat( foldalignopt, " " ); + strcat( foldalignopt, *++argv ); + fprintf( stderr, "foldalignopt = %s\n", foldalignopt ); + --argc; + goto nextoption; + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } +} + +int countamino( char *s, int end ) +{ + int val = 0; + while( end-- ) + if( *s++ != '-' ) val++; + return( val ); +} + +#if enablemultithread +static void *athread( void *arg ) +{ + thread_arg_t *targ = (thread_arg_t *)arg; + int i, j; + int clus1, clus2; + int off1, off2; + int intdum; + double bunbo; + float pscore = 0.0; // by D.Mathog + double *effarr; + double *effarr1; + double *effarr2; + char **pair; + char *indication1, *indication2; + char **mseq1, **mseq2; + char **aseq; + +// thread_arg + int thread_no = targ->thread_no; + int njob = targ->njob; + Jobtable *jobpospt = targ->jobpospt; + char **name = targ->name; + char **seq = targ->seq; + LocalHom **localhomtable = targ->localhomtable; + double **distancemtx = targ->distancemtx; + double *selfscore = targ->selfscore; + char ***bpp = targ->bpp; + int alloclen = targ->alloclen; + +// fprintf( stderr, "thread %d start!\n", thread_no ); + + effarr = AllocateDoubleVec( njob ); + for( i=0; imutex_counter ); + j = jobpospt->j; + i = jobpospt->i; + j++; + if( j == njob ) + { + i++; + j = i + 1; + if( i == njob-1 ) + { +// fprintf( stderr, "thread %d end!\n", thread_no ); + pthread_mutex_unlock( targ->mutex_counter ); + + if( commonIP ) FreeIntMtx( commonIP ); + commonIP = NULL; + if( commonJP ) FreeIntMtx( commonJP ); + commonJP = NULL; + Falign( NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, 0, NULL ); + G__align11_noalign( NULL, 0, 0, NULL, NULL, 0 ); + L__align11( NULL, NULL, 0, NULL, NULL ); + genL__align11( NULL, NULL, 0, NULL, NULL ); + free( effarr ); + free( effarr1 ); + free( effarr2 ); + free( indication1 ); + free( indication2 ); + FreeCharMtx( pair ); + free( mseq1 ); + free( mseq2 ); + FreeCharMtx( aseq ); + return( NULL ); + } + } + jobpospt->j = j; + jobpospt->i = i; + pthread_mutex_unlock( targ->mutex_counter ); + + + if( j == i+1 || j % 100 == 0 ) + { + fprintf( stderr, "% 5d / %d (by thread %3d) \r", i, njob, thread_no ); +// fprintf( stderr, "% 5d - %5d / %d (thread %d)\n", i, j, njob, thread_no ); + } + + + if( strlen( seq[i] ) == 0 || strlen( seq[j] ) == 0 ) + { + if( store_dist ) distancemtx[i][j] = 2.0; + if( stdout_dist) + { + pthread_mutex_lock( targ->mutex_stdout ); + fprintf( stdout, "%d %d d=%.3f\n", i+1, j+1, 2.0 ); + pthread_mutex_unlock( targ->mutex_stdout ); + } + continue; + } + + strcpy( aseq[i], seq[i] ); + strcpy( aseq[j], seq[j] ); + clus1 = conjuctionfortbfast( pair, i, aseq, mseq1, effarr1, effarr, indication1 ); + clus2 = conjuctionfortbfast( pair, j, aseq, mseq2, effarr2, effarr, indication2 ); +// fprintf( stderr, "mseq1 = %s\n", mseq1[0] ); +// fprintf( stderr, "mseq2 = %s\n", mseq2[0] ); + +#if 0 + fprintf( stderr, "group1 = %.66s", indication1 ); + fprintf( stderr, "\n" ); + fprintf( stderr, "group2 = %.66s", indication2 ); + fprintf( stderr, "\n" ); +#endif +// for( l=0; lmutex_stdout ); + if( alg != 't' ) + { + fprintf( stdout, "sequence %d - sequence %d, pairwise distance = %10.5f\n", i+1, j+1, pscore ); + fprintf( stdout, ">%s\n", name[i] ); + write1seq( stdout, mseq1[0] ); + fprintf( stdout, ">%s\n", name[j] ); + write1seq( stdout, mseq2[0] ); + fprintf( stdout, "\n" ); + } + pthread_mutex_unlock( targ->mutex_stdout ); + } + if( stdout_dist ) + { + pthread_mutex_lock( targ->mutex_stdout ); + if( j == i+1 ) fprintf( stdout, "%d %d d=%.3f\n", i+1, i+1, 0.0 ); + fprintf( stdout, "%d %d d=%.3f\n", i+1, j+1, pscore ); + pthread_mutex_unlock( targ->mutex_stdout ); + } +#endif // mutex + if( store_dist) distancemtx[i][j] = pscore; + } +} +#endif + +static void pairalign( char **name, int nlen[M], char **seq, char **aseq, char **mseq1, char **mseq2, double *effarr, int alloclen ) +{ + int i, j, ilim; + int clus1, clus2; + int off1, off2; + float pscore = 0.0; // by D.Mathog + static char *indication1, *indication2; + FILE *hat2p, *hat3p; + double **distancemtx; + double *selfscore; + double *effarr1; + double *effarr2; + char *pt; + char *hat2file = "hat2"; + LocalHom **localhomtable = NULL, *tmpptr; + static char **pair; + int intdum; + double bunbo; + char ***bpp = NULL; // mxscarna no toki dake + + if( store_localhom ) + { + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; i 0 ) + { + Jobtable jobpos; + pthread_t *handle; + pthread_mutex_t mutex_counter; + pthread_mutex_t mutex_stdout; + thread_arg_t *targ; + + jobpos.i = 0; + jobpos.j = 0; + + targ = calloc( nthread, sizeof( thread_arg_t ) ); + handle = calloc( nthread, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex_counter, NULL ); + pthread_mutex_init( &mutex_stdout, NULL ); + + for( i=0; i%s\n", name[i] ); + write1seq( stdout, mseq1[0] ); + fprintf( stdout, ">%s\n", name[j] ); + write1seq( stdout, mseq2[0] ); + fprintf( stdout, "\n" ); + } + } + if( stdout_dist ) fprintf( stdout, "%d %d d=%.3f\n", i+1, j+1, pscore ); + if( store_dist) distancemtx[i][j] = pscore; + } + } + } + + + if( store_dist ) + { + hat2p = fopen( hat2file, "w" ); + if( !hat2p ) ErrorExit( "Cannot open hat2." ); + WriteHat2_pointer( hat2p, njob, name, distancemtx ); + fclose( hat2p ); + } + + hat3p = fopen( "hat3", "w" ); + if( !hat3p ) ErrorExit( "Cannot open hat3." ); + if( store_localhom ) + { + fprintf( stderr, "\n\n##### writing hat3\n" ); + ilim = njob-1; + for( i=0; inext ) + { + if( tmpptr->opt == -1.0 ) continue; +// tmptmptmptmptmp +// if( alg == 'B' || alg == 'T' ) +// fprintf( hat3p, "%d %d %d %7.5f %d %d %d %d %p\n", i, j, tmpptr->overlapaa, 1.0, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2, (void *)tmpptr->next ); +// else + fprintf( hat3p, "%d %d %d %7.5f %d %d %d %d h\n", i, j, tmpptr->overlapaa, tmpptr->opt, tmpptr->start1, tmpptr->end1, tmpptr->start2, tmpptr->end2 ); + } + } + } +#if DEBUG + fprintf( stderr, "calling FreeLocalHomTable\n" ); +#endif + FreeLocalHomTable( localhomtable, njob ); +#if DEBUG + fprintf( stderr, "done. FreeLocalHomTable\n" ); +#endif + } + fclose( hat3p ); + + if( alg == 's' ) + { + char **ptpt; + for( i=0; i M ) + { + fprintf( stderr, "The number of sequences must be < %d\n", M ); + fprintf( stderr, "Please try the splittbfast program for such large data.\n" ); + exit( 1 ); + } + + alloclen = nlenmax*2; + seq = AllocateCharMtx( njob, alloclen+10 ); + aseq = AllocateCharMtx( njob, alloclen+10 ); + bseq = AllocateCharMtx( njob, alloclen+10 ); + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + name = AllocateCharMtx( njob, B ); + + eff = AllocateDoubleVec( njob ); + +#if 0 + Read( name, nlen, seq ); +#else + readData_pointer( infp, name, nlen, seq ); +#endif + fclose( infp ); + + constants( njob, seq ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illegal character %c\n", c ); + exit( 1 ); + } + +// writePre( njob, name, nlen, seq, 0 ); + + for( i=0; i 1 ) + { + fprintf( stderr, "\nThe order of distances is not identical to that in the input file, because of the parallel calculation. Reorder them by yourself, using sort -n -k 2 | sort -n -k 1 -s\n" ); + } + if( stdout_align && nthread > 1 ) + { + fprintf( stderr, "\nThe order of pairwise alignments is not identical to that in the input file, because of the parallel calculation. Reorder them by yourself.\n" ); + } + FreeCharMtx( seq ); + FreeCharMtx( aseq ); + FreeCharMtx( bseq ); + FreeCharMtx( name ); + free( mseq1 ); + free( mseq2 ); + free( eff ); + + return( 0 ); +} diff --git a/binaries/src/mafft/core/partQalignmm.c b/binaries/src/mafft/core/partQalignmm.c new file mode 100644 index 0000000..d89e186 --- /dev/null +++ b/binaries/src/mafft/core/partQalignmm.c @@ -0,0 +1,1262 @@ +#include "mltaln.h" +#include "dp.h" + +#define MACHIGAI 0 +#define OUTGAP0TRY 1 +#define DEBUG 0 +#define XXXXXXX 0 +#define USE_PENALTY_EX 0 +#define FASTMATCHCALC 1 + + +static int impalloclen = 0; +static float **impmtx = NULL; +float part_imp_match_out_scQ( int i1, int j1 ) +{ +// fprintf( stderr, "impalloclen = %d\n", impalloclen ); +// fprintf( stderr, "i1,j1=%d,%d -> impmtx=%f\n", i1, j1, impmtx[i1][j1] ); + return( impmtx[i1][j1] ); +#if 0 + if( i1 == l1 || j1 == l2 ) return( 0.0 ); + return( impmtx[i1+start1][j1+start2] ); +#endif +} +static void part_imp_match_out_vead_gapmapQ( float *imp, int i1, int lgth2, int start2, int *gapmap2 ) +{ +#if FASTMACHCALC + float *pt = imp; + int *gapmappt = gapmap2; + while( lgth2-- ) + *pt++ += impmtx[i1][start2+*gapmappt++]; +#else + int j; + for( j=0; jstart1 ); +// fprintf( stderr, "end1 = %d\n", tmpptr->end1 ); +// fprintf( stderr, "i = %d, seq1 = \n%s\n", i, seq1[i] ); +// fprintf( stderr, "j = %d, seq2 = \n%s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start1 ) break; + } + start1 = (int)( pt - seq1[i] ) - 1; + + if( tmpptr->start1 == tmpptr->end1 ) end1 = start1; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end1 ) break; + if( *pt++ != '-' ) tmpint++; + } + end1 = (int)( pt - seq1[i] ) - 1; +#else + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end1 ) break; + } + end1 = (int)( pt - seq1[i] ) - 1; +#endif + } + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start2 ) break; + } + start2 = (int)( pt - seq2[j] ) - 1; + if( tmpptr->start2 == tmpptr->end2 ) end2 = start2; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end2 ) break; + if( *pt++ != '-' ) tmpint++; + } + end2 = (int)( pt - seq2[j] ) - 1; +#else + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end2 ) break; + } + end2 = (int)( pt - seq2[j] ) - 1; +#endif + } +// fprintf( stderr, "start1 = %d (%c), end1 = %d (%c), start2 = %d (%c), end2 = %d (%c)\n", start1, seq1[i][start1], end1, seq1[i][end1], start2, seq2[j][start2], end2, seq2[j][end2] ); +// fprintf( stderr, "step 0\n" ); + if( end1 - start1 != end2 - start2 ) + { +// fprintf( stderr, "CHUUI!!, start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + } + + k1 = start1; k2 = start2; + pt1 = seq1[i] + k1; + pt2 = seq2[j] + k2; + while( *pt1 && *pt2 ) + { + if( *pt1 != '-' && *pt2 != '-' ) + { +// ½Å¤ß¤òÆó½Å¤Ë¤«¤±¤Ê¤¤¤è¤¦¤ËÃí°Õ¤·¤Æ²¼¤µ¤¤¡£ +// impmtx[k1][k2] += tmpptr->wimportance * fastathreshold; +// impmtx[k1][k2] += tmpptr->importance * effij; + impmtx[k1][k2] += tmpptr->fimportance * effij; +// fprintf( stderr, "k1=%d, k2=%d, impalloclen=%d\n", k1, k2, impalloclen ); +// fprintf( stderr, "mark, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; k2++; + pt1++; pt2++; + } + else if( *pt1 != '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k2++; pt2++; + } + else if( *pt1 == '-' && *pt2 != '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + } + else if( *pt1 == '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + k2++; pt2++; + } + if( k1 > end1 || k2 > end2 ) break; + } + tmpptr = tmpptr->next; + } + } + } +#if 0 + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2start1 ); + fprintf( stderr, "end1 = %d\n", localhom[i][j]->end1 ); + fprintf( stderr, "j = %d, seq2 = %s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->start1 ) break; + } + start1 = pt - seq1[i] - 1; + + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, localhom[i][j].end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->end1 ) break; + } + end1 = pt - seq1[i] - 1; + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->start2 ) break; + } + start2 = pt - seq2[j] - 1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->end2 ) break; + } + end2 = pt - seq2[j] - 1; +// fprintf( stderr, "start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + k1 = start1; + k2 = start2; + fprintf( stderr, "step 0\n" ); + while( k1 <= end1 && k2 <= end2 ) + { +#if 0 + if( !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] += localhom[i][j].wimportance * eff1[i] * eff2[j]; + k1++; k2++; +#else + if( !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] += localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; +#endif + } + + dif = ( end1 - start1 ) - ( end2 - start2 ); + fprintf( stderr, "dif = %d\n", dif ); + if( dif > 0 ) + { + do + { + fprintf( stderr, "dif = %d\n", dif ); + k1 = start1; + k2 = start2 - dif; + while( k1 <= end1 && k2 <= end2 ) + { + if( 0 <= k2 && start2 <= k2 && !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] = localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; + } + } + while( dif-- ); + } + else + { + do + { + k1 = start1 + dif; + k2 = start2; + while( k1 <= end1 ) + { + if( k1 >= 0 && k1 >= start1 && !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] = localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; + } + } + while( dif++ ); + } + } + } +#if 0 + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2-1 ) + *matchpt += scarr[*cpmxpdnpt++] * *cpmxpdpt++; + matchpt++; + } + } +#else + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; + // simple + if( initialize ) + { + int count = 0; + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} + +static void Atracking_localhom( float *impwmpt, float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp, int icyc, int jcyc, + int start1, int end1, int start2, int end2, + int *gapmap1, int *gapmap2 ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k; +// char gap[] = "-"; + char *gap; + float wm; + gap = newgapstr; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if 0 + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static float mi, *m; + static int **ijp; + static int mpi, *mp; + static float *w1, *w2; + static float *match; + static float *initverticalw; /* kufuu sureba iranai */ + static float *lastverticalw; /* kufuu sureba iranai */ + static char **mseq1; + static char **mseq2; + static char **mseq; + static float *digf1; + static float *digf2; + static float *diaf1; + static float *diaf2; + static float *gapz1; + static float *gapz2; + static float *gapf1; + static float *gapf2; + static float *ogcp1g; + static float *ogcp2g; + static float *fgcp1g; + static float *fgcp2g; + static float *og_h_dg_n1_p; + static float *og_h_dg_n2_p; + static float *fg_h_dg_n1_p; + static float *fg_h_dg_n2_p; + static float *og_t_fg_h_dg_n1_p; + static float *og_t_fg_h_dg_n2_p; + static float *fg_t_og_h_dg_n1_p; + static float *fg_t_og_h_dg_n2_p; + static float *gapz_n1; + static float *gapz_n2; + static float **cpmx1; + static float **cpmx2; + static int **intwork; + static float **floatwork; + static int orlgth1 = 0, orlgth2 = 0; + float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif + float tmppenal; + float *fg_t_og_h_dg_n2_p_pt; + float *og_t_fg_h_dg_n2_p_pt; + float *og_h_dg_n2_p_pt; + float *fg_h_dg_n2_p_pt; + float *gapz_n2_pt0; + float *gapz_n2_pt1; + float *fgcp2pt; + float *ogcp2pt; + float fg_t_og_h_dg_n1_p_va; + float og_t_fg_h_dg_n1_p_va; + float og_h_dg_n1_p_va; + float fg_h_dg_n1_p_va; + float gapz_n1_va0; + float gapz_n1_va1; + float fgcp1va; + float ogcp1va; + + + +#if 0 + fprintf( stderr, "eff in SA+++align\n" ); + for( i=0; i orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( digf1 ); + FreeFloatVec( digf2 ); + FreeFloatVec( diaf1 ); + FreeFloatVec( diaf2 ); + FreeFloatVec( gapz1 ); + FreeFloatVec( gapz2 ); + FreeFloatVec( gapf1 ); + FreeFloatVec( gapf2 ); + FreeFloatVec( ogcp1g ); + FreeFloatVec( ogcp2g ); + FreeFloatVec( fgcp1g ); + FreeFloatVec( fgcp2g ); + FreeFloatVec( og_h_dg_n1_p ); + FreeFloatVec( og_h_dg_n2_p ); + FreeFloatVec( fg_h_dg_n1_p ); + FreeFloatVec( fg_h_dg_n2_p ); + FreeFloatVec( og_t_fg_h_dg_n1_p ); + FreeFloatVec( og_t_fg_h_dg_n2_p ); + FreeFloatVec( fg_t_og_h_dg_n1_p ); + FreeFloatVec( fg_t_og_h_dg_n2_p ); + FreeFloatVec( gapz_n1 ); + FreeFloatVec( gapz_n2 ); + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + digf1 = AllocateFloatVec( ll1+2 ); + digf2 = AllocateFloatVec( ll2+2 ); + diaf1 = AllocateFloatVec( ll1+2 ); + diaf2 = AllocateFloatVec( ll2+2 ); + gapz1 = AllocateFloatVec( ll1+2 ); + gapz2 = AllocateFloatVec( ll2+2 ); + gapf1 = AllocateFloatVec( ll1+2 ); + gapf2 = AllocateFloatVec( ll2+2 ); + ogcp1g = AllocateFloatVec( ll1+2 ); + ogcp2g = AllocateFloatVec( ll2+2 ); + fgcp1g = AllocateFloatVec( ll1+2 ); + fgcp2g = AllocateFloatVec( ll2+2 ); + og_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + og_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + fg_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + fg_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + og_t_fg_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + og_t_fg_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + fg_t_og_h_dg_n1_p = AllocateFloatVec( ll1 + 2 ); + fg_t_og_h_dg_n2_p = AllocateFloatVec( ll2 + 2 ); + gapz_n1 = AllocateFloatVec( ll1+2 ); + gapz_n2 = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 26 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + cpmx_calc_new( seq1, cpmx1, eff1, lgth1, icyc ); + cpmx_calc_new( seq2, cpmx2, eff2, lgth2, jcyc ); + + if( sgap1 ) + { + new_OpeningGapCount_zure( ogcp1g, icyc, seq1, eff1, lgth1, sgap1, egap1 ); + new_OpeningGapCount_zure( ogcp2g, jcyc, seq2, eff2, lgth2, sgap2, egap2 ); + new_FinalGapCount_zure( fgcp1g, icyc, seq1, eff1, lgth1, sgap1, egap1 ); + new_FinalGapCount_zure( fgcp2g, jcyc, seq2, eff2, lgth2, sgap2, egap2 ); + getdigapfreq_part( digf1, icyc, seq1, eff1, lgth1, sgap1, egap1 ); + getdigapfreq_part( digf2, jcyc, seq2, eff2, lgth2, sgap2, egap2 ); + getdiaminofreq_part( diaf1, icyc, seq1, eff1, lgth1, sgap1, egap1 ); + getdiaminofreq_part( diaf2, jcyc, seq2, eff2, lgth2, sgap2, egap2 ); + getgapfreq( gapf1, icyc, seq1, eff1, lgth1 ); + getgapfreq( gapf2, jcyc, seq2, eff2, lgth2 ); + getgapfreq_zure_part( gapz1, icyc, seq1, eff1, lgth1, sgap1 ); + getgapfreq_zure_part( gapz2, jcyc, seq2, eff2, lgth2, sgap1 ); + } + else + { + st_OpeningGapCount( ogcp1g, icyc, seq1, eff1, lgth1 ); + st_OpeningGapCount( ogcp2g, jcyc, seq2, eff2, lgth2 ); + st_FinalGapCount_zure( fgcp1g, icyc, seq1, eff1, lgth1 ); + st_FinalGapCount_zure( fgcp2g, jcyc, seq2, eff2, lgth2 ); + getdigapfreq_st( digf1, icyc, seq1, eff1, lgth1 ); + getdigapfreq_st( digf2, jcyc, seq2, eff2, lgth2 ); + getdiaminofreq_x( diaf1, icyc, seq1, eff1, lgth1 ); + getdiaminofreq_x( diaf2, jcyc, seq2, eff2, lgth2 ); + getgapfreq( gapf1, icyc, seq1, eff1, lgth1 ); + getgapfreq( gapf2, jcyc, seq2, eff2, lgth2 ); + getgapfreq_zure( gapz1, icyc, seq1, eff1, lgth1 ); + getgapfreq_zure( gapz2, jcyc, seq2, eff2, lgth2 ); + } + +#if 1 + lastj = lgth2+2; + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + if( outgap == 1 ) + { + g = 0.0; + + g += ogcp1g[0] * og_h_dg_n2_p[0]; + + g += ogcp2g[0] * og_h_dg_n1_p[0]; + + g += fgcp1g[0] * fg_h_dg_n2_p[0]; + + g += fgcp2g[0] * fg_h_dg_n1_p[0]; + + initverticalw[0] += g; + currentw[0] += g; + + for( i=1; i", wm ); +#endif + tmppenal = gapz_n1_va1 * *fg_t_og_h_dg_n2_p_pt; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=mi+tmppenal) > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + + tmppenal = gapz_n1_va0 * *og_t_fg_h_dg_n2_p_pt; + if( (g=*prept+tmppenal) >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + tmppenal = *gapz_n2_pt1 * fg_t_og_h_dg_n1_p_va; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( (g=*mjpt+tmppenal) > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + + tmppenal = *gapz_n2_pt0 * og_t_fg_h_dg_n1_p_va; + if( (g=*prept+tmppenal) >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt++ += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + fg_t_og_h_dg_n2_p_pt++; + og_t_fg_h_dg_n2_p_pt++; + og_h_dg_n2_p_pt++; + fg_h_dg_n2_p_pt++; + gapz_n2_pt0++; + gapz_n2_pt1++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + } + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; i impmtx=%f\n", i1, j1, impmtx[i1][j1] ); + return( impmtx[i1][j1] ); +#if 0 + if( i1 == l1 || j1 == l2 ) return( 0.0 ); + return( impmtx[i1+start1][j1+start2] ); +#endif +} +static void part_imp_match_out_vead_gapmap( float *imp, int i1, int lgth2, int start2, int *gapmap2 ) +{ +#if FASTMACHCALC + float *pt = imp; + int *gapmappt = gapmap2; + while( lgth2-- ) + *pt++ += impmtx[i1][start2+*gapmappt++]; +#else + int j; + for( j=0; jstart1 ); +// fprintf( stderr, "end1 = %d\n", tmpptr->end1 ); +// fprintf( stderr, "i = %d, seq1 = \n%s\n", i, seq1[i] ); +// fprintf( stderr, "j = %d, seq2 = \n%s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start1 ) break; + } + start1 = (int)( pt - seq1[i] ) - 1; + + if( tmpptr->start1 == tmpptr->end1 ) end1 = start1; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end1 ) break; + if( *pt++ != '-' ) tmpint++; + } + end1 = (int)( pt - seq1[i] ) - 1; +#else + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, tmpptr->end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end1 ) break; + } + end1 = (int)( pt - seq1[i] ) - 1; +#endif + } + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->start2 ) break; + } + start2 = (int)( pt - seq2[j] ) - 1; + if( tmpptr->start2 == tmpptr->end2 ) end2 = start2; + else + { +#if MACHIGAI + while( *pt != 0 ) + { + if( tmpint == tmpptr->end2 ) break; + if( *pt++ != '-' ) tmpint++; + } + end2 = (int)( pt - seq2[j] ) - 1; +#else + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == tmpptr->end2 ) break; + } + end2 = (int)( pt - seq2[j] ) - 1; +#endif + } +// fprintf( stderr, "start1 = %d (%c), end1 = %d (%c), start2 = %d (%c), end2 = %d (%c)\n", start1, seq1[i][start1], end1, seq1[i][end1], start2, seq2[j][start2], end2, seq2[j][end2] ); +// fprintf( stderr, "step 0\n" ); + if( end1 - start1 != end2 - start2 ) + { +// fprintf( stderr, "CHUUI!!, start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + } + + k1 = start1; k2 = start2; + pt1 = seq1[i] + k1; + pt2 = seq2[j] + k2; + while( *pt1 && *pt2 ) + { + if( *pt1 != '-' && *pt2 != '-' ) + { +// ½Å¤ß¤òÆó½Å¤Ë¤«¤±¤Ê¤¤¤è¤¦¤ËÃí°Õ¤·¤Æ²¼¤µ¤¤¡£ +// impmtx[k1][k2] += tmpptr->wimportance * fastathreshold; +// impmtx[k1][k2] += tmpptr->importance * effij; +// impmtx[k1][k2] += tmpptr->fimportance * effij; + if( tmpptr->korh == 'k' ) + impmtx[k1][k2] += tmpptr->fimportance * effij_kozo; + else + impmtx[k1][k2] += tmpptr->fimportance * effij; +// fprintf( stderr, "k1=%d, k2=%d, impalloclen=%d\n", k1, k2, impalloclen ); +// fprintf( stderr, "mark, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; k2++; + pt1++; pt2++; + } + else if( *pt1 != '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k2++; pt2++; + } + else if( *pt1 == '-' && *pt2 != '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + } + else if( *pt1 == '-' && *pt2 == '-' ) + { +// fprintf( stderr, "skip, %d (%c) - %d (%c) \n", k1, *pt1, k2, *pt2 ); + k1++; pt1++; + k2++; pt2++; + } + if( k1 > end1 || k2 > end2 ) break; + } + tmpptr = tmpptr->next; + } + } + } +#if 0 + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2start1 ); + fprintf( stderr, "end1 = %d\n", localhom[i][j]->end1 ); + fprintf( stderr, "j = %d, seq2 = %s\n", j, seq2[j] ); + pt = seq1[i]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->start1 ) break; + } + start1 = pt - seq1[i] - 1; + + while( *pt != 0 ) + { +// fprintf( stderr, "tmpint = %d, end1 = %d pos = %d\n", tmpint, localhom[i][j].end1, pt-seq1[i] ); + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->end1 ) break; + } + end1 = pt - seq1[i] - 1; + + pt = seq2[j]; + tmpint = -1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->start2 ) break; + } + start2 = pt - seq2[j] - 1; + while( *pt != 0 ) + { + if( *pt++ != '-' ) tmpint++; + if( tmpint == localhom[i][j]->end2 ) break; + } + end2 = pt - seq2[j] - 1; +// fprintf( stderr, "start1 = %d, end1 = %d, start2 = %d, end2 = %d\n", start1, end1, start2, end2 ); + k1 = start1; + k2 = start2; + fprintf( stderr, "step 0\n" ); + while( k1 <= end1 && k2 <= end2 ) + { +#if 0 + if( !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] += localhom[i][j].wimportance * eff1[i] * eff2[j]; + k1++; k2++; +#else + if( !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] += localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; +#endif + } + + dif = ( end1 - start1 ) - ( end2 - start2 ); + fprintf( stderr, "dif = %d\n", dif ); + if( dif > 0 ) + { + do + { + fprintf( stderr, "dif = %d\n", dif ); + k1 = start1; + k2 = start2 - dif; + while( k1 <= end1 && k2 <= end2 ) + { + if( 0 <= k2 && start2 <= k2 && !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] = localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; + } + } + while( dif-- ); + } + else + { + do + { + k1 = start1 + dif; + k2 = start2; + while( k1 <= end1 ) + { + if( k1 >= 0 && k1 >= start1 && !nocount1[k1] && !nocount2[k2] ) + impmtx[k1][k2] = localhom[i][j]->wimportance * eff1[i] * eff2[j]; + k1++; k2++; + } + } + while( dif++ ); + } + } + } +#if 0 + fprintf( stderr, "impmtx = \n" ); + for( k2=0; k2-1 ) + *matchpt += scarr[*cpmxpdnpt++] * *cpmxpdpt++; + matchpt++; + } + } +#else + int j, k, l; + float scarr[26]; + float **cpmxpd = floatwork; + int **cpmxpdn = intwork; + // simple + if( initialize ) + { + int count = 0; + for( j=0; j-1; k++ ) + match[j] += scarr[cpmxpdn[k][j]] * cpmxpd[k][j]; + } +#endif +} + +static void Atracking_localhom( float *impwmpt, float *lasthorizontalw, float *lastverticalw, + char **seq1, char **seq2, + char **mseq1, char **mseq2, + float **cpmx1, float **cpmx2, + int **ijp, int icyc, int jcyc, + int start1, int end1, int start2, int end2, + int *gapmap1, int *gapmap2 ) +{ + int i, j, l, iin, jin, ifi, jfi, lgth1, lgth2, k; +// char gap[] = "-"; + char *gap; + float wm; + gap = newgapstr; + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + +#if 0 + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i= wm ) + { + wm = lastverticalw[i]; + iin = i; jin = lgth2-1; + ijp[lgth1][lgth2] = +( lgth1 - i ); + } + } + for( j=0; j= wm ) + { + wm = lasthorizontalw[j]; + iin = lgth1-1; jin = j; + ijp[lgth1][lgth2] = -( lgth2 - j ); + } + } + } + + for( i=0; i 0 ) + { + ifi = iin-ijp[iin][jin]; jfi = jin-1; + } + else + { + ifi = iin-1; jfi = jin-1; + } + l = iin - ifi; + while( --l ) + { + for( i=0; i lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; /* int ?????? */ + float g; + float *currentw, *previousw; +#if 1 + float *wtmp; + int *ijppt; + float *mjpt, *prept, *curpt; + int *mpjpt; +#endif + static TLS float mi, *m; + static TLS int **ijp; + static TLS int mpi, *mp; + static TLS float *w1, *w2; + static TLS float *match; + static TLS float *initverticalw; /* kufuu sureba iranai */ + static TLS float *lastverticalw; /* kufuu sureba iranai */ + static TLS char **mseq1; + static TLS char **mseq2; + static TLS char **mseq; + static TLS float *ogcp1; + static TLS float *ogcp2; + static TLS float *fgcp1; + static TLS float *fgcp2; + static TLS float **cpmx1; + static TLS float **cpmx2; + static TLS int **intwork; + static TLS float **floatwork; + static TLS int orlgth1 = 0, orlgth2 = 0; + float fpenalty = (float)penalty; +#if USE_PENALTY_EX + float fpenalty_ex = (float)penalty_ex; +#endif + float *fgcp2pt; + float *ogcp2pt; + float fgcp1va; + float ogcp1va; + + + if( seq1 == NULL ) + { + if( orlgth1 ) + { +// fprintf( stderr, "## Freeing local arrays in A__align\n" ); + orlgth1 = 0; + orlgth2 = 0; + + part_imp_match_init_strict( NULL, 0, 0, 0, 0, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0 ); + + free( mseq1 ); + free( mseq2 ); + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( ogcp1 ); + FreeFloatVec( ogcp2 ); + FreeFloatVec( fgcp1 ); + FreeFloatVec( fgcp2 ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + + } + else + { +// fprintf( stderr, "## Not allocated\n" ); + } + return( 0.0 ); + } + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); +#if 1 + if( lgth1 == 0 ) fprintf( stderr, "WARNING: lgth1=0 in partA__align\n" ); + if( lgth2 == 0 ) fprintf( stderr, "WARNING: lgth2=0 in partA__align\n" ); + + if( lgth1 == 0 && lgth2 == 0 ) + return( 0.0 ); + + if( lgth1 == 0 ) + { + for( i=0; i orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + if( orlgth1 > 0 && orlgth2 > 0 ) + { + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); + FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + + FreeCharMtx( mseq ); + + FreeFloatVec( ogcp1 ); + FreeFloatVec( ogcp2 ); + FreeFloatVec( fgcp1 ); + FreeFloatVec( fgcp2 ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); + match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + + mseq = AllocateCharMtx( njob, ll1+ll2 ); + + ogcp1 = AllocateFloatVec( ll1+2 ); + ogcp2 = AllocateFloatVec( ll2+2 ); + fgcp1 = AllocateFloatVec( ll1+2 ); + fgcp2 = AllocateFloatVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + +#if FASTMATCHCALC + floatwork = AllocateFloatMtx( MAX( ll1, ll2 )+2, 26 ); + intwork = AllocateIntMtx( MAX( ll1, ll2 )+2, 26 ); +#else + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); +#endif + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + + + for( i=0; i commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijp = commonIP; + + cpmx_calc_new( seq1, cpmx1, eff1, lgth1, icyc ); + cpmx_calc_new( seq2, cpmx2, eff2, lgth2, jcyc ); + + if( sgap1 ) + { + new_OpeningGapCount( ogcp1, icyc, seq1, eff1, lgth1, sgap1 ); + new_OpeningGapCount( ogcp2, jcyc, seq2, eff2, lgth2, sgap2 ); + new_FinalGapCount( fgcp1, icyc, seq1, eff1, lgth1, egap1 ); + new_FinalGapCount( fgcp2, jcyc, seq2, eff2, lgth2, egap2 ); + } + else + { + st_OpeningGapCount( ogcp1, icyc, seq1, eff1, lgth1 ); + st_OpeningGapCount( ogcp2, jcyc, seq2, eff2, lgth2 ); + st_FinalGapCount( fgcp1, icyc, seq1, eff1, lgth1 ); + st_FinalGapCount( fgcp2, jcyc, seq2, eff2, lgth2 ); + } + + for( i=0; i tbfast.c + if( localhom ) + imp_match_calc( currentw, icyc, jcyc, lgth1, lgth2, seq1, seq2, eff1, eff2, localhom, 1, 0 ); + +#endif + + if( outgap == 1 ) + { + for( i=1; i", wm ); +#endif + g = mi + *fgcp2pt; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = -( j - mpi ); + } + g = *prept + *ogcp2pt; + if( g >= mi ) + { + mi = g; + mpi = j-1; + } +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + + g = *mjpt + fgcp1va; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijppt = +( i - *mpjpt ); + } + g = *prept + ogcp1va; + if( g >= *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + m[j] += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f ", wm ); +#endif + *curpt += wm; + ijppt++; + mjpt++; + prept++; + mpjpt++; + curpt++; + fgcp2pt++; + ogcp2pt++; + } + lastverticalw[i] = currentw[lgth2-1]; + + } + +#if OUTGAP0TRY + if( !outgap ) + { + for( j=1; j" ); + for( i=0; i N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'e': + eregfile = *++argv; + fprintf( stderr, "eregfile = %s\n", eregfile ); + --argc; + goto nextoption; + case 'r': + regfile = *++argv; + fprintf( stderr, "regfile = %s\n", regfile ); + --argc; + goto nextoption; + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'n' : + outnumber = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + +void readereg( FILE *regfp, int **regtable, char **revtable, int *outtable, int *noutpt, int *loutpt ) +{ + char gett[1000]; + int j; + int mem; + char cmem; + char reg[5][100]; + char out[100]; + int startpos, endpos; + + *noutpt = 0; + *loutpt = 0; + fgets( gett, 999, regfp ); + sscanf( gett, "%c %s %s %s %s %s", &cmem, reg[0], reg[1], reg[2], reg[3], reg[4] ); + if( cmem != 'e' ) + { + fprintf( stderr, "Format error\n" ); + exit( 1 ); + } + for( j=0; j<5; j++ ) + { + sscanf( reg[j], "%d-%d-%c", regtable[0]+(j*2), regtable[0]+(j*2)+1, revtable[0]+j ); + fprintf( stderr, "%d %d-%d\n", 0, regtable[0][j*2], regtable[0][j*2+1] ); + startpos = regtable[0][j*2]; + endpos = regtable[0][j*2+1]; + if( startpos > endpos ) + { + endpos = regtable[0][j*2]; + startpos = regtable[0][j*2+1]; + } + if( startpos != -1 && endpos != -1 ) + *loutpt += endpos - startpos + 1; + } + + while( 1 ) + { + fgets( gett, 999, regfp ); + if( feof( regfp ) ) break; + sscanf( gett, "%d o=%s", &mem, out ); + if( mem >= njob ) + { + fprintf( stderr, "Out of range\n" ); + exit( 1 ); + } + outtable[mem] = atoi( out ); + if( outtable[mem] ) *noutpt += 1; + } +} + +void readreg( FILE *regfp, int **regtable, char **revtable, int *outtable ) +{ + char gett[1000]; + int j; + int mem; + char reg[5][100]; + char out[100]; + + while( 1 ) + { + fgets( gett, 999, regfp ); + if( feof( regfp ) ) break; + sscanf( gett, "%d %s %s %s %s %s o=%s", &mem, reg[0], reg[1], reg[2], reg[3], reg[4], out ); + if( mem >= njob ) + { + fprintf( stderr, "Out of range\n" ); + exit( 1 ); + } + for( j=0; j<5; j++ ) + { + sscanf( reg[j], "%d-%d-%c", regtable[mem]+(j*2), regtable[mem]+(j*2)+1, revtable[mem]+j ); + fprintf( stderr, "%d %d-%d\n", mem, regtable[mem][j*2], regtable[mem][j*2+1] ); + } + outtable[mem] = atoi( out ); + } +} + +int main( int argc, char *argv[] ) +{ + FILE *infp; + FILE *regfp; + int nlenmin; + int **regtable; + char **revtable; + int *outtable; + int i, nout, lout; + char **outseq; + char **name; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + dorp = NOTSPECIFIED; + getnumlen_nogap( infp, &nlenmin ); + + if( regfile ) + { + regfp = fopen( regfile, "r" ); + if( !regfp ) + { + fprintf( stderr, "Cannot open %s\n", regfile ); + exit( 1 ); + } + regtable = AllocateIntMtx( njob, 5*2 ); + revtable = AllocateCharMtx( njob, 5 ); + outtable = AllocateIntVec( njob ); + readreg( regfp, regtable, revtable, outtable ); + cutData( infp, regtable, revtable, outtable ); + } + else if( eregfile ) + { + regfp = fopen( eregfile, "r" ); + if( !regfp ) + { + fprintf( stderr, "Cannot open %s\n", eregfile ); + exit( 1 ); + } + regtable = AllocateIntMtx( 1, 5*2 ); + revtable = AllocateCharMtx( 1, 5 ); + outtable = AllocateIntVec( njob ); + readereg( regfp, regtable, revtable, outtable, &nout, &lout ); + fprintf( stderr, "nout = %d, lout = %d\n", nout, lout ); + + outseq = AllocateCharMtx( nout, lout+1 ); + name = AllocateCharMtx( nout, B ); + + cutAlignment( infp, regtable, revtable, outtable, name, outseq ); + fprintf( stderr, "gappick! nout = %d\n", nout ); + commongappick( nout, outseq ); + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'o': + seedoffset = atoi( *++argv ); + fprintf( stderr, "seedoffset = %d\n", seedoffset ); + --argc; + goto nextoption; + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + + + +int main( int argc, char *argv[] ) +{ + FILE *infp; + int nlenmin; + char **name; + char **seq; + int *nlen; + int i; + char *usual; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + + dorp = NOTSPECIFIED; + getnumlen_casepreserve( infp, &nlenmin ); + + fprintf( stderr, "%d x %d - %d %c\n", njob, nlenmax, nlenmin, dorp ); + + seq = AllocateCharMtx( njob, nlenmax+1 ); + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + + readData_pointer_casepreserve( infp, name, nlen, seq ); + +// for( i=0; i%s\n", name[i]+1 ); + if( seq[i][nlen[i]-1] == '\n' ) seq[i][nlen[i]-1] = 0; + fprintf( origfp, "%s\n", seq[i] ); + } + fclose( origfp ); +#endif + + if( dorp == 'p' ) + { + usual = "ARNDCQEGHILKMFPSTWYVarndcqeghilkmfpstwyv-."; + replace_unusual( njob, seq, usual, 'X', toupper ); + } + else + { + usual = "ATGCUatgcu-"; + replace_unusual( njob, seq, usual, 'n', tolower ); + } + + + + for( i=0; i%d_oripos_%s\n", i+seedoffset, name[i] ); + fprintf( stdout, "%s\n", seq[i] ); + } + + free( nlen ); + FreeCharMtx( seq ); + FreeCharMtx( name ); + + return( 0 ); +} diff --git a/binaries/src/mafft/core/restoreu.c b/binaries/src/mafft/core/restoreu.c new file mode 100644 index 0000000..40055da --- /dev/null +++ b/binaries/src/mafft/core/restoreu.c @@ -0,0 +1,229 @@ +#include "mltaln.h" + +#define DEBUG 0 + +char *alignmentfile; + +static void fillorichar( int nseq, int *oripos, char **a, char **s ) +{ + int i; + char *pta, *pts; + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + --argc; + goto nextoption; + case 'a': + alignmentfile = *++argv; + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + + + +int main( int argc, char *argv[] ) +{ + FILE *infp; + FILE *alfp; + char **name; + char **aname; + char **oname; + char **seq; + char **aseq; + int *nlen; + int *oripos; + char *npt, *npt2; + int i, o, prelen; + int nlenmin; + int njobs, njoba; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + if( alignmentfile ) + { + alfp = fopen( alignmentfile, "r" ); + if( !alfp ) + { + fprintf( stderr, "Cannot open %s\n", alignmentfile ); + exit( 1 ); + } + } + else + { + fprintf( stderr, "No alignment is given.\n" ); + exit( 1 ); + } + + dorp = NOTSPECIFIED; + getnumlen_casepreserve( infp, &nlenmin ); + njobs = njob; +// fprintf( stderr, "in infp, %d x %d - %d %c\n", njob, nlenmin, nlenmax, dorp ); + + seq = AllocateCharMtx( njob, nlenmax+1 ); + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + oripos = AllocateIntVec( njob ); + readData_pointer_casepreserve( infp, name, nlen, seq ); + + dorp = NOTSPECIFIED; + getnumlen( alfp ); + njoba = njob; +// fprintf( stderr, "in alfp, %d x %d %c\n", njob, nlenmax, dorp ); + aseq = AllocateCharMtx( njob, nlenmax+1 ); + aname = AllocateCharMtx( njob, B+1 ); + oname = AllocateCharMtx( njob, B+1 ); + readData_pointer( alfp, aname, nlen, aseq ); + + for( i=0; i 3 ) code1 = 36; + code2 = amino_n[(int)s2[j][p2]]; + if( code2 > 3 ) code2 = 36; + +// fprintf( stderr, "'l'%c-%c: %f\n", s1[i][p1], s2[j][p2], (float)ribosumdis[code1][code2] ); + + val += (float)ribosumdis[code1][code2] * eff1[i] * eff2[j]; + } + return( val ); +} +static float pairedribosumscore53( int n1, int n2, char **s1, char **s2, double *eff1, double *eff2, int p1, int p2, int c1, int c2 ) +{ + float val; + int i, j; + int code1o, code1u, code2o, code2u, code1, code2; + + val = 0.0; + for( i=0; i 3 ) code1 = code1o = 36; + else if( code1u > 3 ) code1 = 36; + else code1 = 4 + code1o * 4 + code1u; + + code2o = amino_n[(int)s2[j][p2]]; + code2u = amino_n[(int)s2[j][c2]]; + if( code2o > 3 ) code2 = code1o = 36; + else if( code2u > 3 ) code2 = 36; + else code2 = 4 + code2o * 4 + code2u; + + +// fprintf( stderr, "%c%c-%c%c: %f\n", s1[i][p1], s1[i][c1], s2[j][p2], s2[j][c2], (float)ribosumdis[code1][code2] ); + + if( code1 == 36 || code2 == 36 ) + val += (float)n_dis[code1o][code2o] * eff1[i] * eff2[j]; + else + val += (float)ribosumdis[code1][code2] * eff1[i] * eff2[j]; + } + return( val ); +} + +static float pairedribosumscore35( int n1, int n2, char **s1, char **s2, double *eff1, double *eff2, int p1, int p2, int c1, int c2 ) +{ + float val; + int i, j; + int code1o, code1u, code2o, code2u, code1, code2; + + val = 0.0; + for( i=0; i 3 ) code1 = code1o = 36; + else if( code1u > 3 ) code1 = 36; + else code1 = 4 + code1u * 4 + code1o; + + code2o = amino_n[(int)s2[j][p2]]; + code2u = amino_n[(int)s2[j][c2]]; + if( code2o > 3 ) code2 = code1o = 36; + else if( code2u > 3 ) code2 = 36; + else code2 = 4 + code2u * 4 + code2o; + + +// fprintf( stderr, "%c%c-%c%c: %f\n", s1[i][p1], s1[i][c1], s2[j][p2], s2[j][c2], (float)ribosumdis[code1][code2] ); + + if( code1 == 36 || code2 == 36 ) + val += (float)n_dis[code1o][code2o] * eff1[i] * eff2[j]; + else + val += (float)ribosumdis[code1][code2] * eff1[i] * eff2[j]; + } + return( val ); +} + + +static void mccaskillextract( char **seq, char **nogap, int nseq, RNApair **pairprob, RNApair ***single, int **sgapmap, double *eff ) +{ + int lgth; + int nogaplgth; + int i, j; + int left, right, adpos; + float prob; + static TLS int *pairnum; + RNApair *pt, *pt2; + + lgth = strlen( seq[0] ); + pairnum = calloc( lgth, sizeof( int ) ); + for( i=0; ibestpos!=-1; pt++ ) + { + left = sgapmap[i][j]; + right = sgapmap[i][pt->bestpos]; + prob = pt->bestscore; + + + for( pt2=pairprob[left]; pt2->bestpos!=-1; pt2++ ) + if( pt2->bestpos == right ) break; + +// fprintf( stderr, "i,j=%d,%d, left=%d, right=%d, pt=%d, pt2->bestpos = %d\n", i, j, left, right, pt-single[i][j], pt2->bestpos ); + if( pt2->bestpos == -1 ) + { + pairprob[left] = (RNApair *)realloc( pairprob[left], (pairnum[left]+2) * sizeof( RNApair ) ); + adpos = pairnum[left]; + pairnum[left]++; + pairprob[left][adpos].bestscore = 0.0; + pairprob[left][adpos].bestpos = right; + pairprob[left][adpos+1].bestscore = -1.0; + pairprob[left][adpos+1].bestpos = -1; + pt2 = pairprob[left]+adpos; + } + else + adpos = pt2-pairprob[left]; + + pt2->bestscore += prob * eff[i]; + + if( pt2->bestpos != right ) + { + fprintf( stderr, "okashii!\n" ); + exit( 1 ); + } +// fprintf( stderr, "adding %d-%d, %f\n", left, right, prob ); +// fprintf( stderr, "pairprob[0][0].bestpos=%d\n", pairprob[0][0].bestpos ); +// fprintf( stderr, "pairprob[0][0].bestscore=%f\n", pairprob[0][0].bestscore ); + } + } + +// fprintf( stderr, "before taikakuka\n" ); + for( i=0; i -1 ) + { +// pairprob[i][j].bestscore /= (float)nseq; +// fprintf( stderr, "pair of %d = %d (%f) %c:%c\n", i, pairprob[i][j].bestpos, pairprob[i][j].bestscore, seq[0][i], seq[0][pairprob[i][j].bestpos] ); + } + } + +#if 0 + for( i=0; i %d\n", i, j, right, i ); + pairprob[right] = (RNApair *)realloc( pairprob[right], (pairnum[right]+2) * sizeof( RNApair ) ); + pairprob[right][pairnum[right]].bestscore = pairprob[i][j].bestscore; + pairprob[right][pairnum[right]].bestpos = i; + pairnum[right]++; + pairprob[right][pairnum[right]].bestscore = -1.0; + pairprob[right][pairnum[right]].bestpos = -1; + } +#endif + + free( pairnum ); + +} + + +void rnaalifoldcall( char **seq, int nseq, RNApair **pairprob ) +{ + int lgth; + int i; + static TLS int *order = NULL; + static TLS char **name = NULL; + char gett[1000]; + FILE *fp; + int left, right, dumm; + float prob; + static TLS int pid; + static TLS char fnamein[100]; + static TLS char cmd[1000]; + static TLS int *pairnum; + + lgth = strlen( seq[0] ); + if( order == NULL ) + { + pid = (int)getpid(); + sprintf( fnamein, "/tmp/_rnaalifoldin.%d", pid ); + order = AllocateIntVec( njob ); + name = AllocateCharMtx( njob, 10 ); + for( i=0; i 50.0 && prob > pairprob[left][0].bestscore ) + { + pairprob[left][0].bestscore = prob; + pairprob[left][0].bestpos = right; +#else + if( prob > 0.0 ) + { + pairprob[left] = (RNApair *)realloc( pairprob[left], (pairnum[left]+2) * sizeof( RNApair ) ); + pairprob[left][pairnum[left]].bestscore = prob / 100.0; + pairprob[left][pairnum[left]].bestpos = right; + pairnum[left]++; + pairprob[left][pairnum[left]].bestscore = -1.0; + pairprob[left][pairnum[left]].bestpos = -1; + fprintf( stderr, "%d-%d, %f\n", left, right, prob ); + + pairprob[right] = (RNApair *)realloc( pairprob[right], (pairnum[right]+2) * sizeof( RNApair ) ); + pairprob[right][pairnum[right]].bestscore = prob / 100.0; + pairprob[right][pairnum[right]].bestpos = left; + pairnum[right]++; + pairprob[right][pairnum[right]].bestscore = -1.0; + pairprob[right][pairnum[right]].bestpos = -1; + fprintf( stderr, "%d-%d, %f\n", left, right, prob ); +#endif + } + } + fclose( fp ); + sprintf( cmd, "rm -f %s", fnamein ); + system( cmd ); + + for( i=0; i -1 ) + { + pairprob[right][0].bestpos = i; + pairprob[right][0].bestscore = pairprob[i][0].bestscore; + } + } + +#if 0 + for( i=0; i -1 ) pairprob[i][0].bestscore = 1.0; // atode kesu +#endif + +// fprintf( stderr, "after taikakuka in rnaalifoldcall\n" ); +// for( i=0; iori\n%s\n", oseq1[0] ); + fprintf( stdout, ">rev\n%s\n", oseq1r[0] ); + } +#endif + +/* similarity score */ + Lalignmm_hmout( oseq1, oseq2, eff1, eff2, nseq1, nseq2, 10000, NULL, NULL, NULL, NULL, map ); + + if( 1 ) + { + if( RNAscoremtx == 'n' ) + { + for( i=0; ibestpos!=-1; pairpt1++ ) + { + for( j=0; jbestpos!=-1; pairpt2++ ) + { + uido = pairpt1->bestpos; + ujdo = pairpt2->bestpos; + prob = pairpt1->bestscore * pairpt2->bestscore; + if( uido > -1 && ujdo > -1 ) + { + if( uido > i && j > ujdo ) + { + impmtx2[i][j] += prob * pairedribosumscore53( nseq1, nseq2, oseq1, oseq2, eff1, eff2, i, j, uido, ujdo ) * consweight_multi; + tbppmtx[i][j] -= prob; + } + else if( i < uido && j < ujdo ) + { + impmtx2[i][j] += prob * pairedribosumscore35( nseq1, nseq2, oseq1, oseq2, eff1, eff2, i, j, uido, ujdo ) * consweight_multi; + tbppmtx[i][j] -= prob; + } + } + } + } + + + for( i=0; ibestpos!=-1; pairpt1++ ) + { + +// if( pairprob1[i] == NULL ) continue; + + for( j=0; jbestpos!=-1; pairpt2++ ) + { +// fprintf( stderr, "i=%d, j=%d, pn1=%d, pn2=%d\n", i, j, pairpt1-pairprob1[i], pairpt2-pairprob2[j] ); +// if( pairprob2[j] == NULL ) continue; + + uido = pairpt1->bestpos; + ujdo = pairpt2->bestpos; + prob = pairpt1->bestscore * pairpt2->bestscore; +// prob = 1.0; +// fprintf( stderr, "i=%d->uido=%d, j=%d->ujdo=%d\n", i, uido, j, ujdo ); + +// fprintf( stderr, "impmtx2[%d][%d] = %f\n", i, j, impmtx2[i][j] ); + +// if( i < uido && j > ujdo ) continue; +// if( i > uido && j < ujdo ) continue; + + +// posdistj = abs( ujdo-j ); + +// if( uido > -1 && ujdo > -1 ) + if( uido > -1 && ujdo > -1 && ( ( i > uido && j > ujdo ) || ( i < uido && j < ujdo ) ) ) + { + { + impmtx2[i][j] += MAX( 0, map[uido][ujdo] ) * consweight_rna * 600 * prob; // osoi + } + } + + } + } + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'o': + RNAppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'O': + ppenalty_OP = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'E': + ppenalty_EX = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); +// fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; + fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "TM %d\n", pamN ); + --argc; + goto nextoption; + case 'l': + ppslocal = (int)( atof( *++argv ) * 1000 + 0.5 ); + pslocal = (int)( 600.0 / 1000.0 * ppslocal + 0.5); +// fprintf( stderr, "ppslocal = %d\n", ppslocal ); +// fprintf( stderr, "pslocal = %d\n", pslocal ); + --argc; + goto nextoption; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; +#if 0 + case 'e': + fftscore = 0; + break; + case 'O': + fftNoAnchStop = 1; + break; + case 'R': + fftRepeatStop = 1; + break; +#endif + case 'Q': + calledByXced = 1; + break; + case 's': + treemethod = 's'; + break; + case 'x': + disp = 1; + break; + case 'p': + treemethod = 'p'; + break; +#if 0 + case 'a': + alg = 'a'; + break; +#endif + case 'S': + alg = 'S'; + break; + case 'L': + alg = 'L'; + break; + case 'M': + alg = 'M'; + break; + case 'R': + alg = 'R'; + break; + case 'N': + alg = 'N'; + break; + case 'A': + alg = 'A'; + break; + case 'V': + alg = 'V'; + break; + case 'C': + alg = 'C'; + break; + case 'F': + use_fft = 1; + break; + case 'v': + tbrweight = 3; + break; + case 'd': + divpairscore = 1; + break; +/* Modified 01/08/27, default: user tree */ + case 'J': + tbutree = 0; + break; +/* modification end. */ + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +int countamino( char *s, int end ) +{ + int val = 0; + while( end-- ) + if( *s++ != '-' ) val++; + return( val ); +} + + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else if( alg == 'S' ) + fprintf( fp, "Apgorithm S\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( treemethod == 'x' ) + fprintf( fp, "Tree = UPGMA (3).\n" ); + else if( treemethod == 's' ) + fprintf( fp, "Tree = UPGMA (2).\n" ); + else if( treemethod == 'p' ) + fprintf( fp, "Tree = UPGMA (1).\n" ); + else + fprintf( fp, "Unknown tree.\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int *nlen; + static char **name, **seq, **useq; + static char **mseq1, **mseq2; + static char **aseq; + static char **bseq; + static double *eff; + int i; + FILE *infp; + char c; + int alloclen; + RNApair **pair1; + RNApair **pair2; + float **map; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + getnumlen( infp ); + rewind( infp ); + + if( njob > M ) + { + fprintf( stderr, "The number of sequences must be < %d\n", M ); + fprintf( stderr, "Please try the splittbfast program for such large data.\n" ); + exit( 1 ); + } + + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + + seq = AllocateCharMtx( njob, nlenmax*5+1 ); + useq = AllocateCharMtx( njob, nlenmax*5+1 ); + aseq = AllocateCharMtx( njob, nlenmax*5+1 ); + bseq = AllocateCharMtx( njob, nlenmax*5+1 ); + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + alloclen = nlenmax*5; + + pair1 = calloc( nlenmax*5+1, sizeof( RNApair *) ); + pair2 = calloc( nlenmax*5+1, sizeof( RNApair *) ); + map = AllocateFloatMtx( nlenmax+1, nlenmax ); + + eff = AllocateDoubleVec( njob ); + + readData_pointer( infp, name, nlen, seq ); + fclose( infp ); + + for( i=0; i %c ", seq[0][pair1[i].pos], seq[1][map12[pair1[i].pos].pos] ); + if( pair2[map12[pair1[i].pos].pos].pos == -1 ) continue; + fprintf( stderr, "%d:%d (%c)", map12[pair1[i].pos].pos, pair2[map12[pair1[i].pos].pos].pos, seq[1][pair2[map12[pair1[i].pos].pos].pos] ); + } +#endif + + + exit( 1 ); + + + pairalign( name, nlen, bseq, aseq, mseq1, mseq2, eff, alloclen ); + fprintf( trap_g, "done.\n" ); +#if DEBUG + fprintf( stderr, "closing trap_g\n" ); +#endif + fclose( trap_g ); + +// writePre( njob, name, nlen, aseq, !contin ); +#if 0 + writeData( stdout, njob, name, nlen, aseq ); +#endif +#if IODEBUG + fprintf( stderr, "OSHIMAI\n" ); +#endif + SHOWVERSION; + return( 0 ); +#endif +} diff --git a/binaries/src/mafft/core/score.c b/binaries/src/mafft/core/score.c new file mode 100644 index 0000000..1906cdb --- /dev/null +++ b/binaries/src/mafft/core/score.c @@ -0,0 +1,96 @@ +#include "mltaln.h" + +#define DEBUG 0 + +void arguments( int argc, char *argv[] ) +{ + int c; + + ppenalty = NOTSPECIFIED; + ppenalty_ex = NOTSPECIFIED; + poffset = NOTSPECIFIED; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + scoremtx = NOTSPECIFIED; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'D': + scoremtx = -1; + break; + case 'P': + scoremtx = 0; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } +} + + +int main( int ac, char **av ) +{ + int nlen[M]; + static char name[M][B], **seq; + double score; + extern double score_calc_for_score( int, char ** ); + + arguments( ac, av ); + + getnumlen( stdin ); + rewind( stdin ); + + seq = AllocateCharMtx( njob, nlenmax ); + + readData( stdin, name, nlen, seq ); + + if( !isaligned( njob, seq ) ) ErrorExit( "Not aligned." ); + + constants( njob, seq ); + + score = score_calc_for_score( njob, seq ); + if( scoremtx == 0 ) score += offset; + + fprintf( stdout, "score = %f\n", score ); + if ( scoremtx == 0 ) fprintf( stdout, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( stdout, "Dayhoff( machigai ga aru )\n" ); + else if( scoremtx == 2 ) fprintf( stdout, "M-Y\n" ); + else if( scoremtx == -1 ) fprintf( stdout, "DNA 1:%d\n", kimuraR ); + + fprintf( stdout, "gap penalty = %+6.2f, %+6.2f, %+6.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + exit( 0 ); +} diff --git a/binaries/src/mafft/core/seq2regtable.c b/binaries/src/mafft/core/seq2regtable.c new file mode 100644 index 0000000..58b9cc8 --- /dev/null +++ b/binaries/src/mafft/core/seq2regtable.c @@ -0,0 +1,88 @@ +#include "mltaln.h" + +#define DEBUG 0 + +char *weboutfile = NULL; + + +void arguments( int argc, char *argv[] ) +{ + int c; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( (c = *++argv[0]) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'w': + weboutfile = *++argv; + fprintf( stderr, "weboutfile = %s\n", weboutfile ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } +} + + +int main( int argc, char *argv[] ) +{ + FILE *infp; + FILE *weboutfp; + int nlenmin; + int isaligned = 0; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + if( weboutfile ) + { + weboutfp = fopen( weboutfile, "w" ); + if( !weboutfp ) + { + fprintf( stderr, "Cannot open %s\n", weboutfile ); + exit( 1 ); + } + } + + dorp = NOTSPECIFIED; + if( weboutfile ) + { + getnumlen_nogap_outallreg_web( infp, weboutfp, &nlenmin, &isaligned ); + if( isaligned ) fprintf( stdout, "Aligned\n" ); + else fprintf( stdout, "Not aligned\n" ); + } + else + getnumlen_nogap_outallreg( infp, &nlenmin ); + + return( 0 ); + +} diff --git a/binaries/src/mafft/core/setcore.c b/binaries/src/mafft/core/setcore.c new file mode 100644 index 0000000..baf1c7a --- /dev/null +++ b/binaries/src/mafft/core/setcore.c @@ -0,0 +1,503 @@ +#include "mltaln.h" + +#define DEBUG 0 +#define IODEBUG 0 +#define SCOREOUT 1 + +double corethr; +int coreext; + +void arguments( int argc, char *argv[] ) +{ + int c; + + fftkeika = 1; + constraint = 0; + nblosum = 62; + fmodel = 0; + calledByXced = 0; + devide = 0; + use_fft = 0; + fftscore = 1; + fftRepeatStop = 0; + fftNoAnchStop = 0; + weight = 3; + utree = 1; + tbutree = 1; + refine = 0; + check = 1; + cut = 0.0; + disp = 0; + outgap = 1; + alg = 'A'; + mix = 0; + tbitr = 0; + scmtd = 5; + tbweight = 0; + tbrweight = 3; + checkC = 0; + treemethod = 'x'; + contin = 0; + scoremtx = 0; + kobetsubunkatsu = 0; + dorp = NOTSPECIFIED; + ppenalty = NOTSPECIFIED; + ppenalty_ex = NOTSPECIFIED; + poffset = NOTSPECIFIED; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + geta2 = GETA2; + fftWinSize = NOTSPECIFIED; + fftThreshold = NOTSPECIFIED; + corethr = .5; + coreext = 0; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; + fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'l': + fastathreshold = atof( *++argv ); + constraint = 2; + fprintf( stderr, "weighti = %f\n", fastathreshold ); + --argc; + goto nextoption; + case 'i': + corethr = atof( *++argv ); + fprintf( stderr, "corethr = %f\n", corethr ); + --argc; + goto nextoption; + case 'm': + fmodel = 1; + break; + case 'c': + coreext = 1; + break; + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'e': + fftscore = 0; + break; + case 'O': + fftNoAnchStop = 1; + break; + case 'R': + fftRepeatStop = 1; + break; + case 'Q': + calledByXced = 1; + break; + case 's': + treemethod = 's'; + break; + case 'x': + treemethod = 'x'; + break; + case 'p': + treemethod = 'p'; + break; + case 'a': + alg = 'a'; + break; + case 'A': + alg = 'A'; + break; + case 'S': + alg = 'S'; + break; + case 'C': + alg = 'C'; + break; + case 'F': + use_fft = 1; + break; + case 'v': + tbrweight = 3; + break; + case 'd': + disp = 1; + break; + case 'o': + outgap = 0; + break; +/* Modified 01/08/27, default: user tree */ + case 'J': + tbutree = 0; + break; +/* modification end. */ + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + + + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else if( alg == 'S' ) + fprintf( fp, "Apgorithm S\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( treemethod == 'x' ) + fprintf( fp, "Tree = UPGMA (3).\n" ); + else if( treemethod == 's' ) + fprintf( fp, "Tree = UPGMA (2).\n" ); + else if( treemethod == 'p' ) + fprintf( fp, "Tree = UPGMA (1).\n" ); + else + fprintf( fp, "Unknown tree.\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int nlen[M]; + static char **name, **seq; + static char **oseq; + static double **pscore; + static double *eff; + static double **node0, **node1; + static double *gapc; + static double *avgap; + double tmpavgap; + int i, j, m, goffset; + static int ***topol; + static double **len; + FILE *prep; + char c; + int corestart, coreend; + int alloclen; + int winsize; + char *pt, *ot; + double gapmin; + + arguments( argc, argv ); + + getnumlen( stdin ); + rewind( stdin ); + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax*9+1 ); + name = AllocateCharMtx( njob, B+1 ); + oseq = AllocateCharMtx( njob, nlenmax*9+1 ); + alloclen = nlenmax*9; + + topol = AllocateIntCub( njob, 2, njob ); + len = AllocateDoubleMtx( njob, 2 ); + pscore = AllocateDoubleMtx( njob, njob ); + eff = AllocateDoubleVec( njob ); + node0 = AllocateDoubleMtx( njob, njob ); + node1 = AllocateDoubleMtx( njob, njob ); + gapc = AllocateDoubleVec( alloclen ); + avgap = AllocateDoubleVec( alloclen ); + +#if 0 + Read( name, nlen, seq ); +#else + readData_pointer( stdin, name, nlen, seq ); +#endif + + constants( njob, seq ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illeagal character %c\n", c ); + exit( 1 ); + } + + writePre( njob, name, nlen, seq, 0 ); + + if( tbutree == 0 ) + { + for( i=1; i seq[i] ) + if( *pt != '-' ) + { + *ot-- = *pt; + m--; + } + + ot = oseq[i]+winsize+coreend-corestart+1; + pt = seq[i]+coreend; + if( coreext ) m = winsize; + else m = 0; + while( m && *(++pt) ) + { + if( *pt != '-' ) + { + *ot++ = *pt; + m--; + } + } + fprintf( stdout, ">%s\n", name[i] ); + fprintf( stdout, "%s\n", oseq[i] ); + } + + exit( 1 ); + + SHOWVERSION; + return( 0 ); +} diff --git a/binaries/src/mafft/core/sextet5.c b/binaries/src/mafft/core/sextet5.c new file mode 100644 index 0000000..1354b2c --- /dev/null +++ b/binaries/src/mafft/core/sextet5.c @@ -0,0 +1,318 @@ +#include "mltaln.h" +#include "mtxutl.h" + +#define DEBUG 0 +#define TEST 0 + +#define END_OF_VEC -1 + +static int maxl; +static int tsize; + +void arguments( int argc, char *argv[] ) +{ + int c; + + inputfile = NULL; + disopt = 0; + scoremtx = 1; + nblosum = 62; + dorp = NOTSPECIFIED; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'I': + disopt = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc != 0 ) + { + fprintf( stderr, "options: -i\n" ); + exit( 1 ); + } +} + +void seq_grp_nuc( int *grp, char *seq ) +{ + int tmp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 4 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\n", *(seq-1) ); + } + *grp = END_OF_VEC; +} + +void seq_grp( int *grp, char *seq ) +{ + int tmp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 6 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\n", *(seq-1) ); + } + *grp = END_OF_VEC; +} + +void makecompositiontable_p( short *table, int *pointt ) +{ + int point; + + while( ( point = *pointt++ ) != END_OF_VEC ) + table[point]++; +} + +int commonsextet_p( short *table, int *pointt ) +{ + int value = 0; + short tmp; + int point; + static short *memo = NULL; + static int *ct = NULL; + static int *cp; + + if( !memo ) + { + memo = (short *)calloc( tsize, sizeof( short ) ); + if( !memo ) ErrorExit( "Cannot allocate memo\n" ); + ct = (int *)calloc( MIN( maxl, tsize)+1, sizeof( int ) ); + if( !ct ) ErrorExit( "Cannot allocate memo\n" ); + } + + cp = ct; + while( ( point = *pointt++ ) != END_OF_VEC ) + { + tmp = memo[point]++; + if( tmp < table[point] ) + value++; + if( tmp == 0 ) *cp++ = point; +// fprintf( stderr, "cp - ct = %d (tsize = %d)\n", cp - ct, tsize ); + } + *cp = END_OF_VEC; + + cp = ct; + while( *cp != END_OF_VEC ) + memo[*cp++] = 0; + + return( value ); +} + +void makepointtable_nuc( int *pointt, int *n ) +{ + int point; + register int *p; + + p = n; + point = *n++ * 1024; + point += *n++ * 256; + point += *n++ * 64; + point += *n++ * 16; + point += *n++ * 4; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 1024; + point *= 4; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +void makepointtable( int *pointt, int *n ) +{ + int point; + register int *p; + + p = n; + point = *n++ * 7776; + point += *n++ * 1296; + point += *n++ * 216; + point += *n++ * 36; + point += *n++ * 6; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 7776; + point *= 6; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +int main( int argc, char **argv ) +{ + int i, j; + FILE *fp, *infp; + char **seq; + int *grpseq; + char *tmpseq; + int **pointt; + static char name[M][B]; + static int nlen[M]; + double **mtx; + double **mtx2; + double score, score0; + static short *table1; + char b[B]; + + arguments( argc, argv ); + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + +#if 0 + PreRead( stdin, &njob, &nlenmax ); +#else + getnumlen( infp ); +#endif + rewind( infp ); + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + tmpseq = AllocateCharVec( nlenmax+1 ); + seq = AllocateCharMtx( njob, nlenmax+1 ); + grpseq = AllocateIntVec( nlenmax+1 ); + pointt = AllocateIntMtx( njob, nlenmax+1 ); + mtx = AllocateDoubleMtx( njob, njob ); + mtx2 = AllocateDoubleMtx( njob, njob ); + pamN = NOTSPECIFIED; + +#if 0 + FRead( infp, name, nlen, seq ); +#else + readData( infp, name, nlen, seq ); +#endif + + fclose( infp ); + + constants( njob, seq ); + + if( dorp == 'd' ) tsize = (int)pow( 4, 6 ); + else tsize = (int)pow( 6, 6 ); + + maxl = 0; + for( i=0; i maxl ) maxl = nlen[i]; + if( dorp == 'd' ) /* nuc */ + { + seq_grp_nuc( grpseq, tmpseq ); + makepointtable_nuc( pointt[i], grpseq ); + } + else /* amino */ + { + seq_grp( grpseq, tmpseq ); + makepointtable( pointt[i], grpseq ); + } + } + for( i=0; i +#include +#include + +#endif +#define IMA_YONDERU 'x' /* iranai */ +#define IMA_KAITERU 0 /* iranai */ +#define KAKIOWATTA 'w' +#define YOMIOWATTA 'r' +#define OSHIMAI 'd' +#define ISRUNNING 0 +#define SEMAPHORE 1 +#define STATUS 2 + +#define IPC_ALLOC 0100000 diff --git a/binaries/src/mafft/core/splittbfast.c b/binaries/src/mafft/core/splittbfast.c new file mode 100644 index 0000000..a810285 --- /dev/null +++ b/binaries/src/mafft/core/splittbfast.c @@ -0,0 +1,3274 @@ +#include "mltaln.h" + + +#define TREE 1 +#define PICKSIZE 50 // must be >= 3 +#define WEIGHT 0 +#define TOKYORIPARA 0.70 // 0.70 +#define TOKYORIPARA_A 0.70 // changed +#define LENFAC 1 +#define HUKINTOTREE 1 +#define DIANA 0 +#define MAX6DIST 10.0 + +// kouzoutai ni sasareru pointer ha static + +#define DEBUG 0 +#define IODEBUG 0 +#define SCOREOUT 0 + +#define END_OF_VEC -1 + +static char *fastapath; +static int doalign; +static int fromaln; +static int uselongest; +static int treeout; +static int classsize; +static int picksize; +static int maxl; +static int tsize; +static int reorder; +static int pid; +static int maxdepth = 0; +static double tokyoripara; + +static double lenfaca, lenfacb, lenfacc, lenfacd; +#define PLENFACA 0.01 +#define PLENFACB 10000 +#define PLENFACC 10000 +#define PLENFACD 0.1 +#define DLENFACA 0.01 +#define DLENFACB 2500 +#define DLENFACC 2500 +#define DLENFACD 0.1 + +static char datafile[1000]; +static char queryfile[1000]; +static char resultfile[1000]; + +typedef struct _scores +{ + double score; + int selfscore; + int orilen; + int *pointt; + int numinseq; + char *name; +// char *seq; // reallo +// char **seqpt; + int shimon; +} Scores; + +int intcompare( const int *a, const int *b ) +{ + return( *a - *b ); +} + +int lcompare( const Scores *a, const Scores *b ) +{ + if( a->orilen < b->orilen ) return 1; + else if( a->orilen > b->orilen ) return -1; + else return 0; +} + +int dcompare( const Scores *a, const Scores *b ) +{ + if( a->score > b->score ) return 1; + else if( a->score < b->score ) return -1; + else + { + if( a->selfscore < b->selfscore ) return 1; + else if( a->selfscore > b->selfscore ) return -1; + else + { + if( a->orilen < b->orilen ) return 1; + else if( a->orilen > b->orilen ) return -1; + else return 0; + } + } +} + +#if 0 +static void gappickandx0( char *out, char *in ) +{ + char c; + if( scoremtx == -1 ) + { + while( *in ) + { + if( (c=*in++) == '-' ) + ; + else if( c == 'u' ) + *out++ = 't'; + else if( amino_n[c] < 4 && amino_n[c] > -1 ) + *out++ = c; + else + *out++ = 'n'; + } + } + else + { + while( *in ) + { + if( (c=*in++) == '-' ) + ; + else if( amino_n[c] < 20 && amino_n[c] > -1 ) + *out++ = c; + else + *out++ = 'X'; + } + } + *out = 0; +} + +static int getkouho( int *pickkouho, double prob, int nin, Scores *scores, char **seq ) // 0 < prob < 1 +{ + int nkouho = 0; + int i, j; + int *iptr = pickkouho; + for( i=1; ishimon || strcmp( seq[scores->numinseq], seq[scores[i].numinseq] ) ) ) + { +#if 0 + for( j=0; j+===========+%d ", 0 ); + strcpy( tmpseq, "AAAAAAXXXXXX" ); + strcat( tmpseq, "CCCCCCXXXXXX" ); + strcat( tmpseq, "DDDDDDXXXXXX" ); + strcat( tmpseq, "EEEEEEXXXXXX" ); + strcat( tmpseq, "FFFFFFXXXXXX" ); + strcat( tmpseq, "GGGGGGXXXXXX" ); + strcat( tmpseq, "HHHHHHXXXXXX" ); + strcat( tmpseq, "IIIIIIXXXXXX" ); + strcat( tmpseq, "KKKKKKXXXXXX" ); + strcat( tmpseq, "LLLLLLXXXXXX" ); + strcat( tmpseq, "MMMMMMXXXXXX" ); + strcat( tmpseq, "NNNNNNXXXXXX" ); + strcat( tmpseq, "PPPPPPXXXXXX" ); + strcat( tmpseq, "QQQQQQXXXXXX" ); + strcat( tmpseq, "RRRRRRXXXXXX" ); + strcat( tmpseq, "SSSSSSXXXXXX" ); + strcat( tmpseq, "TTTTTTXXXXXX" ); + strcat( tmpseq, "VVVVVVXXXXXX" ); + strcat( tmpseq, "WWWWWWXXXXXX" ); + strcat( tmpseq, "YYYYYYXXXXXX" ); + slen = strlen( tmpseq ); + writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); + fclose( dfp ); + fprintf( stderr, "done.\n" ); + + for( i=0; i<20; i++ ) + { + aa = amino[i]; +// fprintf( stderr, "checking %c\n", aa ); + *tmpseq = 0; + sprintf( tmpname, ">+===========+%d ", 0 ); + for( j=0; j<6; j++ ) + sprintf( tmpseq+strlen( tmpseq ), "%c", aa ); + qfp = fopen( queryfile, "w" ); + if( !qfp ) ErrorExit( "Cannot open queryfile." ); + writeData_pointer( qfp, 1, &tmpname, &slen, &tmpseq ); + fclose( qfp ); + + if( scoremtx == -1 ) + sprintf( com, "%s -z3 -m10 -n -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, M, M, 0, queryfile, datafile, 6, resultfile ); + else + sprintf( com, "%s -z3 -m10 -p -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, M, M, 0, queryfile, datafile, 2, resultfile ); + res = system( com ); + if( res ) + { + fprintf( stderr, "error in %s", fastapath ); + exit( 1 ); + } + + rfp = fopen( resultfile, "r" ); + if( rfp == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + res = ReadFasta34m10_scoreonly( rfp, resvec, 1 ); + fprintf( stderr, "%c: %f\n", 'A'+i, *resvec/6 ); + fclose( rfp ); + if( ( (int)*resvec % 6 ) > 0.0 ) + { + fprintf( stderr, "Error in blast, *resvec=%f\n", *resvec ); + fprintf( stderr, "Error in blast, *resvec/6=%f\n", *resvec/6 ); + exit( 1 ); + } + tmpaminodis[(int)aa][(int)aa] = (int)( *resvec / 6 ); +// fprintf( stderr, "*resvec=%f, tmpaminodis[aa][aa] = %d\n", *resvec, tmpaminodis[aa][aa] ); + } + tmpaminodis['X']['X'] = -1; + free( tmpname ); + free( tmpseq ); + free( resvec ); +} + +#if 0 +static void getblastscoremtx( int **tmpaminodis ) +{ + FILE *qfp; + FILE *dfp; + FILE *rfp; + int i, j; + char aa; + int slen; + int res; + char com[10000]; + static char *tmpseq; + static char *tmpname; + double *resvec; + + if( scoremtx == -1 ) + { + tmpaminodis['a']['a'] = 1; + tmpaminodis['g']['g'] = 1; + tmpaminodis['c']['c'] = 1; + tmpaminodis['t']['t'] = 1; + + return; + } + + + tmpseq = calloc( 2000, sizeof( char ) ); + tmpname = calloc( B, sizeof( char ) ); + resvec = calloc( 1, sizeof( double ) ); + +// fprintf( stderr, "xformatting .. " ); + dfp = fopen( datafile, "w" ); + if( !dfp ) ErrorExit( "Cannot open datafile." ); + sprintf( tmpname, "\0", i ); // BUG!! + strcpy( tmpseq, "AAAAAAXXXXXX" ); + strcat( tmpseq, "CCCCCCXXXXXX" ); + strcat( tmpseq, "DDDDDDXXXXXX" ); + strcat( tmpseq, "EEEEEEXXXXXX" ); + strcat( tmpseq, "FFFFFFXXXXXX" ); + strcat( tmpseq, "GGGGGGXXXXXX" ); + strcat( tmpseq, "HHHHHHXXXXXX" ); + strcat( tmpseq, "IIIIIIXXXXXX" ); + strcat( tmpseq, "KKKKKKXXXXXX" ); + strcat( tmpseq, "LLLLLLXXXXXX" ); + strcat( tmpseq, "MMMMMMXXXXXX" ); + strcat( tmpseq, "NNNNNNXXXXXX" ); + strcat( tmpseq, "PPPPPPXXXXXX" ); + strcat( tmpseq, "QQQQQQXXXXXX" ); + strcat( tmpseq, "RRRRRRXXXXXX" ); + strcat( tmpseq, "SSSSSSXXXXXX" ); + strcat( tmpseq, "TTTTTTXXXXXX" ); + strcat( tmpseq, "VVVVVVXXXXXX" ); + strcat( tmpseq, "WWWWWWXXXXXX" ); + strcat( tmpseq, "YYYYYYXXXXXX" ); + slen = strlen( tmpseq ); + writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); + fclose( dfp ); + if( scoremtx == -1 ) + sprintf( com, "formatdb -p f -i %s -o F", datafile ); + else + sprintf( com, "formatdb -i %s -o F", datafile ); + system( com ); + fprintf( stderr, "done.\n" ); + + for( i=0; i<20; i++ ) + { + aa = amino[i]; + fprintf( stderr, "checking %c\n", aa ); + *tmpseq = 0; + for( j=0; j<6; j++ ) + sprintf( tmpseq+strlen( tmpseq ), "%c", aa ); + qfp = fopen( queryfile, "w" ); + if( !qfp ) ErrorExit( "Cannot open queryfile." ); + writeData_pointer( qfp, 1, &tmpname, &slen, &tmpseq ); + fclose( qfp ); + + sprintf( com, "blastall -b %d -G 10 -E 1 -e 1e10 -p blastp -m 7 -i %s -d %s > %s\0", 1, queryfile, datafile, resultfile ); + res = system( com ); + if( res ) + { + fprintf( stderr, "error in %s", "blastall" ); + exit( 1 ); + } + + rfp = fopen( resultfile, "r" ); + if( rfp == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + res = ReadBlastm7_scoreonly( rfp, resvec, 1 ); + fprintf( stdout, "%c: %f\n", 'A'+i, *resvec/6 ); + fclose( rfp ); + if( ( (int)*resvec % 6 ) > 0.0 ) + { + fprintf( stderr, "Error in blast, *resvec=%f\n", *resvec ); + fprintf( stderr, "Error in blast, *resvec/6=%f\n", *resvec/6 ); + exit( 1 ); + } + tmpaminodis[aa][aa] = (int)( *resvec / 6 ); + } + tmpaminodis['X']['X'] = 0; + free( tmpname ); + free( tmpseq ); + free( resvec ); + +} +#endif + +static double *callfasta( char **seq, Scores *scores, int nin, int *picks, int query, int rewritedata ) +{ + double *val; + FILE *qfp; + FILE *dfp; + FILE *rfp; + int i; + char com[10000]; + static char datafile[1000]; + static char queryfile[1000]; + static char resultfile[1000]; + static int pid; + static char *tmpseq; + static char *tmpname; + int slen; + int res; + static Scores *scoresbk = NULL; + static int ninbk = 0; + + if( pid == 0 ) + { + pid = (int)getpid(); + sprintf( datafile, "/tmp/data-%d", pid ); + sprintf( queryfile, "/tmp/query-%d", pid ); + sprintf( resultfile, "/tmp/fasta-%d", pid ); + + tmpseq = calloc( nlenmax+1, sizeof( char ) ); + tmpname = calloc( B+1, sizeof( char ) ); + } + + val = calloc( nin, sizeof( double ) ); +// fprintf( stderr, "nin=%d, q=%d\n", nin, query ); + + if( rewritedata ) + { + scoresbk = scores; + ninbk = nin; +// fprintf( stderr, "\nformatting .. " ); + dfp = fopen( datafile, "w" ); + if( !dfp ) ErrorExit( "Cannot open datafile." ); + if( picks == NULL ) for( i=0; i+===========+%d ", i ); + slen = scores[i].orilen; + writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); + } + else for( i=0; i+===========+%d ", i ); + slen = scores[picks[i]].orilen; + writeData_pointer( dfp, 1, &tmpname, &slen, &tmpseq ); + } + fclose( dfp ); + } + + + gappick0( tmpseq, seq[scores[query].numinseq] ); + sprintf( tmpname, ">+==========+%d ", 0 ); + slen = scores[query].orilen; + qfp = fopen( queryfile, "w" ); + if( !qfp ) ErrorExit( "Cannot open queryfile." ); + writeData_pointer( qfp, 1, &tmpname, &slen, &tmpseq ); + fclose( qfp ); + +// fprintf( stderr, "calling fasta, nin=%d\n", nin ); + + if( scoremtx == -1 ) + sprintf( com, "%s -z3 -m10 -n -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, nin, nin, 0, queryfile, datafile, 6, resultfile ); + else + sprintf( com, "%s -z3 -m10 -p -Q -H -b%d -E%d -d%d %s %s %d > %s", fastapath, nin, nin, 0, queryfile, datafile, 2, resultfile ); + res = system( com ); + if( res ) + { + fprintf( stderr, "error in %s", fastapath ); + exit( 1 ); + } +// fprintf( stderr, "fasta done\n" ); + +//exit( 1 ); + + rfp = fopen( resultfile, "r" ); + if( rfp == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + +// fprintf( stderr, "reading fasta\n" ); + if( scoremtx == -1 ) + res = ReadFasta34m10_scoreonly_nuc( rfp, val, nin ); + else + res = ReadFasta34m10_scoreonly( rfp, val, nin ); +// fprintf( stderr, "done. val[0] = %f\n", val[0] ); + + + fclose( rfp ); + +#if 0 + for( i=0; i %s\0", nin, queryfile, datafile, resultfile ); + else + sprintf( com, "blastall -b %d -G 10 -E 1 -e 1e10 -p blastp -m 7 -i %s -d %s > %s\0", nin, queryfile, datafile, resultfile ); + res = system( com ); + if( res ) ErrorExit( "error in blast" ); + + rfp = fopen( resultfile, "r" ); + if( rfp == NULL ) + ErrorExit( "file 'fasta.$$' does not exist\n" ); + res = ReadBlastm7_scoreonly( rfp, val, nin ); + fclose( rfp ); + +#if 0 + for( i=0; i 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'p': + picksize = atoi( *++argv ); + fprintf( stderr, "picksize = %d\n", picksize ); + --argc; + goto nextoption; + case 's': + classsize = atoi( *++argv ); + fprintf( stderr, "groupsize = %d\n", classsize ); + --argc; + goto nextoption; + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kimuraR = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; +// fprintf( stderr, "blosum %d\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "tm %d\n", pamN ); + --argc; + goto nextoption; + case 'T': + tokyoripara = (double)atof( *++argv ); + --argc; + goto nextoption; + case 'l': + uselongest = 0; + break; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'S': + doalign = 'f'; + break; + case 'Z': + fromaln = 1; + break; + case 'L': + doalign = 1; + break; + case 'x': + reorder = 0; + break; + case 't': + treeout = 1; + break; + case 'r': + fmodel = -1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; + case 'e': + fftscore = 0; + break; + case 'O': + fftNoAnchStop = 1; + break; +#if 0 + case 'R': + fftRepeatStop = 1; + break; + case 'Q': + calledByXced = 1; + break; + case 'a': + alg = 'a'; + break; +#endif + case 'R': + alg = 'R'; + break; + case 'Q': + alg = 'Q'; + break; + case 'A': + alg = 'A'; + break; + case 'N': + nevermemsave = 1; + break; + case 'M': + alg = 'M'; + break; + case 'C': + alg = 'C'; + break; + case 'F': + use_fft = 1; + break; + case 'G': + use_fft = 1; + force_fft = 1; + break; + case 'v': + tbrweight = 3; + break; + case 'd': + disp = 1; + break; + case 'o': + outgap = 0; + break; + case 'J': + tbutree = 0; + break; + case 'X': + treemethod = 'X'; // mix + break; + case 'E': + treemethod = 'E'; // upg (average) + break; + case 'q': + treemethod = 'q'; // minimum + break; + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +static int maxl; +static int tsize; + +int seq_grp_nuc( int *grp, char *seq ) +{ + int tmp; + int *grpbk = grp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 4 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\r", *(seq-1) ); + } + *grp = END_OF_VEC; + return( grp-grpbk ); +} + +int seq_grp( int *grp, char *seq ) +{ + int tmp; + int *grpbk = grp; + while( *seq ) + { + tmp = amino_grp[(int)*seq++]; + if( tmp < 6 ) + *grp++ = tmp; + else + fprintf( stderr, "WARNING : Unknown character %c\r", *(seq-1) ); + } + *grp = END_OF_VEC; + return( grp-grpbk ); +} + +void makecompositiontable_p( short *table, int *pointt ) +{ + int point; + + while( ( point = *pointt++ ) != END_OF_VEC ) + table[point]++; +} + +int commonsextet_p( short *table, int *pointt ) +{ + int value = 0; + short tmp; + int point; + static short *memo = NULL; + static int *ct = NULL; + static int *cp; + + if( !memo ) + { + memo = (short *)calloc( tsize, sizeof( short ) ); + if( !memo ) ErrorExit( "Cannot allocate memo\n" ); + ct = (int *)calloc( MIN( maxl, tsize )+1, sizeof( int ) ); + if( !ct ) ErrorExit( "Cannot allocate memo\n" ); + } + + cp = ct; + while( ( point = *pointt++ ) != END_OF_VEC ) + { + tmp = memo[point]++; + if( tmp < table[point] ) + value++; + if( tmp == 0 ) *cp++ = point; + } + *cp = END_OF_VEC; + + cp = ct; + while( *cp != END_OF_VEC ) + memo[*cp++] = 0; + + return( value ); +} + +void makepointtable_nuc( int *pointt, int *n ) +{ + int point; + register int *p; + + p = n; + point = *n++ * 1024; + point += *n++ * 256; + point += *n++ * 64; + point += *n++ * 16; + point += *n++ * 4; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 1024; + point *= 4; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +void makepointtable( int *pointt, int *n ) +{ + int point; + register int *p; + + p = n; + point = *n++ * 7776; + point += *n++ * 1296; + point += *n++ * 216; + point += *n++ * 36; + point += *n++ * 6; + point += *n++; + *pointt++ = point; + + while( *n != END_OF_VEC ) + { + point -= *p++ * 7776; + point *= 6; + point += *n++; + *pointt++ = point; + } + *pointt = END_OF_VEC; +} + +#if 1 +static void pairalign( int nseq, int *nlen, char **seq, int *mem1, int *mem2, double *weight, int *alloclen ) +{ + int l, len1, len2; + int clus1, clus2; + float pscore, tscore; + static int *fftlog; + static char *indication1, *indication2; + static double *effarr1 = NULL; + static double *effarr2 = NULL; + static char **mseq1, **mseq2; + float dumfl = 0.0; + int ffttry; + int m1, m2; +#if 0 + int i, j; +#endif + + + if( effarr1 == NULL ) + { + fftlog = AllocateIntVec( nseq ); + effarr1 = AllocateDoubleVec( nseq ); + effarr2 = AllocateDoubleVec( nseq ); + indication1 = AllocateCharVec( 150 ); + indication2 = AllocateCharVec( 150 ); + mseq1 = AllocateCharMtx( nseq, 0 ); + mseq2 = AllocateCharMtx( nseq, 0 ); + for( l=0; l 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); + fprintf( stderr, "group2 = %.66s", indication2 ); + if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); +#endif + +// fprintf( stdout, "mseq1 = %s\n", mseq1[0] ); +// fprintf( stdout, "mseq2 = %s\n", mseq2[0] ); + + if( !nevermemsave && ( alg != 'M' && ( len1 > 10000 || len2 > 10000 ) ) ) + { + fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode\n", len1, len2 ); + alg = 'M'; + if( commonIP ) FreeIntMtx( commonIP ); + commonAlloc1 = 0; + commonAlloc2 = 0; + } + + if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); + else ffttry = 0; + + if( force_fft || ( use_fft && ffttry ) ) + { + fprintf( stderr, "\bf" ); + if( alg == 'M' ) + { + fprintf( stderr, "\bm" ); +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = Falign_udpari_long( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1 ); + } + else + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); + } + } + else + { + fprintf( stderr, "\bd" ); + fftlog[m1] = 0; + switch( alg ) + { + case( 'a' ): + pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); + break; + case( 'M' ): + fprintf( stderr, "\bm" ); +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + break; + case( 'Q' ): + if( clus1 == 1 && clus2 == 1 ) + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); + } + else + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + } + break; + case( 'A' ): + if( clus1 == 1 && clus2 == 1 ) + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = G__align11( mseq1, mseq2, *alloclen, outgap, outgap ); + } + else + { +// fprintf( stderr, "%d-%d", clus1, clus2 ); + pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + } + break; + default: + ErrorExit( "ERROR IN SOURCE FILE" ); + } + } +#if SCOREOUT + fprintf( stderr, "score = %10.2f\n", pscore ); +#endif + nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); + return; +} +#endif + +#if 0 +static void treebase( int nseq, int *nlen, char **aseq, double *eff, int nalign, int ***topol, int *alloclen ) // topol +{ + int i, l; + int nlim; + int clus1, clus2; + + nlim = nalign-1; + for( l=0; l 0 ) +// sprintf( outputfile, "%su%d", outputfile, uniform ); + sprintf( outputfile + strlen(outputfile), "u%d", uniform ); + fprintf( stderr, "GROUP %d: %d member(s) (%d) %s\n", branchid, nin, scores[0].numinseq, outputfile ); + outfp = fopen( outputfile, "w" ); + free( outputfile ); + if( outfp == NULL ) + { + fprintf( stderr, "Cannot open %s\n", outputfile ); + exit( 1 ); + } + for( j=0; jG%d %s\n%s\n", branchid, scores[j].name+1, seq[scores[j].numinseq] ); + fclose( outfp ); +#endif + + +#if TREE + if( treeout ) + { + treelen = 0; + tmptree = calloc( 100, sizeof( char ) ); + for( j=0; j 1 ) **tree = '('; + else **tree = '\0'; +// **tree = '\0'; + for( j=0; j 1 ) strcat( *tree, ")" ); +// fprintf( stdout, "*tree = %s\n", *tree ); + } + +#endif + for( j=0; jselfscore; + belongto = 0; + while( i-- ) + { +// fprintf( stderr, "ptr-scores=%d, numinseq = %d, score = %f\n", ptr-scores, ptr->numinseq+1, ptr->score ); + if( ptr->selfscore > selfscore0 ) + { + selfscore0 = ptr->selfscore; + belongto = ptr-scores; + } + ptr++; + } +#if 1 + if( belongto != 0 ) + { +// fprintf( stderr, "swap %d %s\n<->\n%d %s\n", 0, scores->name, belongto, (scores+belongto)->name ); + ptr = calloc( 1, sizeof( Scores ) ); + *ptr = scores[belongto]; + scores[belongto] = *scores; + *scores = *ptr; + free( ptr ); + } +#endif + } + else + { + qsort( scores, nin, sizeof( Scores ), (int (*)())lcompare ); + belongto = (int)( 0.5 * nin ); +// fprintf( stderr, "lengths = %d, %d, %d\n", scores->orilen, scores[belongto].orilen, scores[nin-1].orilen ); + if( belongto != 0 ) + { +// fprintf( stderr, "swap %d %s\n<->\n%d %s\n", 0, scores->name, belongto, (scores+belongto)->name ); + ptr = calloc( 1, sizeof( Scores ) ); + *ptr = scores[belongto]; + scores[belongto] = *scores; + *scores = *ptr; + free( ptr ); + } + } + + if( qinoya != scores->numinseq ) +// if( 1 || qinoya != scores->numinseq ) + { +// fprintf( stdout, "### scores->numinseq = %d, qinoya=%d, depth=%d\n", scores->numinseq, qinoya, *depthpt ); + + + if( doalign ) + { + if( doalign == 'f' ) + { + blastresults = callfasta( seq, scores, nin, NULL, 0, 1 ); + if( scores->selfscore != (int)blastresults[0] ) + { + fprintf( stderr, "\n\nWARNING1: selfscore\n" ); + fprintf( stderr, "scores->numinseq = %d\n", scores->numinseq+1 ); + fprintf( stderr, "scores->orilen = %d\n", scores->orilen ); + fprintf( stderr, "scores->selfscore = %d, but blastresults[0] = %f\n", scores->selfscore, blastresults[0] ); +// if( abs( scores->selfscore - (int)blastresults[0] ) > 2 ) +// exit( 1 ); +// scores->selfscore = (int)blastresults[0]; //iinoka? + +// exit( 1 ); + } + } + else + gappick0( mseq1[0], seq[scores->numinseq] ); + } + else + { + table1 = (short *)calloc( tsize, sizeof( short ) ); + if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); + makecompositiontable_p( table1, scores[0].pointt ); + } + + selfscore0 = scores[0].selfscore; + for( i=0; iorilen > scores[i].orilen ) + { + longer = (double)scores->orilen; + shorter = (double)scores[i].orilen; + } + else + { + longer = (double)scores[i].orilen; // nai + shorter = (double)scores->orilen; //nai + } + +#if LENFAC + lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); +// lenfac = 1.0 / ( (double)LENFACA + (double)LENFACB / ( (double)longer + (double)LENFACC ) + (double)shorter / (double)longer * LENFACD ); +// fprintf( stderr, "lenfac = %f l=%d,%d\n", lenfac,scores->orilen, scores[i].orilen ); +#else + lenfac = 1.0; +#endif + + if( doalign ) + { + if( doalign == 'f' ) + { + scores[i].score = ( 1.0 - blastresults[i] / MIN( scores->selfscore, scores[i].selfscore ) ) * 1; + if( scores[i].score < 0.0 ) scores[i].score = 0.0; + } + else + { + if( fromaln ) + { +// scores[i].score = ( 1.0 - (double)G__align11_noalign( amino_disLN, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[i].selfscore ) ) * 1; + scores[i].score = ( 1.0 - (double)naivepairscore11( orialn[scores[i].numinseq], orialn[scores->numinseq], penalty ) / MIN( selfscore0, scores[i].selfscore ) ) * 1; + } + else + { + if( *depthpt == 0 ) fprintf( stderr, "\r%d / %d ", i, nin ); + gappick0( mseq2[0], seq[scores[i].numinseq] ); +// fprintf( stdout, "### before calc scores[%d] = %f (%c)\n", i, scores[i].score, qinoya == scores->numinseq?'o':'x' ); + scores[i].score = ( 1.0 - (double)G__align11_noalign( amino_disLN, -1200, -60, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[i].selfscore ) ) * 1; +// fprintf( stderr, "scores[i] = %f\n", scores[i].score ); +// fprintf( stderr, "m1=%s\n", seq[scores[0].numinseq] ); +// fprintf( stderr, "m2=%s\n", seq[scores[i].numinseq] ); +// fprintf( stdout, "### before calc scores[%d] = %f (%c)\n", i, scores[i].score, qinoya == scores->numinseq?'o':'x' ); + } + } + } + else + { + scores[i].score = ( 1.0 - (double)commonsextet_p( table1, scores[i].pointt ) / MIN( selfscore0, scores[i].selfscore ) ) * lenfac; + if( scores[i].score > MAX6DIST ) scores[i].score = MAX6DIST; + } +// if( i ) fprintf( stderr, "%d-%d d %4.2f len %d %d\n", 1, i+1, scores[i].score, scores->orilen, scores[i].orilen ); + } + if( doalign == 'f' ) free( blastresults ); + if( doalign == 0 ) free( table1 ); +//exit( 1 ); + } + +// fprintf( stderr, "sorting .. " ); + qsort( scores, nin, sizeof( Scores ), (int (*)())dcompare ); +// fprintf( stderr, "done.\n" ); + + + maxdist = scores[nin-1].score; + if( fromaln ) // kanzen itch ga misalign sareteiru kamoshirenai. + { + if( scores[0].shimon == scores[nin-1].shimon && !strcmp( seq[scores[0].numinseq], seq[scores[nin-1].numinseq] ) ) + { + maxdist = 0.0; + } +// fprintf( stderr, "maxdist?? = %f, nin=%d, %d inori\n", scores[nin-1].score, nin, scores[nin-1].numinseq+1 ); + } + +// fprintf( stderr, "maxdist? = %f, nin=%d\n", scores[nin-1].score, nin ); + + if( nin == 1 ) fprintf( stderr, "nin=1, scores[0].score = %f\n", scores[0].score ); + +// kokoni if( nin < 2 || ... ) + + picks = AllocateIntVec( nin+1 ); + s_p_map = AllocateIntVec( nin+1 ); + s_y_map = AllocateIntVec( nin+1 ); + pickkouho = AllocateIntVec( nin+1 ); + closeh = AllocateIntVec( nin+1 ); + +// nkouho = getkouho( pickkouho, (picksize+100)/nin, nin, scores, seq ); +// nkouho = getkouho( pickkouho, 1.0, nin, scores, seq ); // zenbu +// fprintf( stderr, "selecting kouhos phase 2\n" ); +// if( nkouho == 0 ) +// { +// fprintf( stderr, "selecting kouhos, phase 2\n" ); +// nkouho = getkouho( pickkouho, 1.0, nin, scores, seq ); +// } +// fprintf( stderr, "\ndone\n\n" ); + for( i=0; i 0 ) + { +// fprintf( stderr, "pickkouho[0] = %d\n", pickkouho[0] ); +// fprintf( stderr, "pickkouho[nin-1] = %d\n", pickkouho[nin-1] ); + picktmp = pickkouho[nkouho-1]; +// fprintf( stderr, "\nMOST DISTANT kouho=%d, nin=%d, nkouho=%d\n", picktmp, nin, nkouho ); + nkouho--; + if( ( scores[picktmp].shimon == scores[0].shimon ) && ( !strcmp( seq[scores[0].numinseq], seq[scores[picktmp].numinseq] ) ) ) + { +// fprintf( stderr, "known, j=%d (%d inori)\n", 0, scores[picks[0]].numinseq ); +// fprintf( stderr, "%s\n%s\n", seq[scores[picktmp].numinseq], seq[scores[picks[0]].numinseq] ); + ; + } + else + { + *iptr++ = picktmp; + npick++; +// fprintf( stderr, "ok, %dth pick = %d (%d inori)\n", npick, picktmp, scores[picktmp].numinseq ); + } + } + i = 1; + while( npick0 ) + { + if( i ) + { + i = 0; + rn = nkouho * 0.5; +// fprintf( stderr, "rn = %d\n", rn ); + } + else + { + rn = rnd() * (nkouho); + } + picktmp = pickkouho[rn]; +// fprintf( stderr, "rn=%d/%d (%d inori), kouho=%d, nin=%d, nkouho=%d\n", rn, nkouho, scores[pickkouho[rn]].numinseq, pickkouho[rn], nin, nkouho ); + +// fprintf( stderr, "#kouho before swap\n" ); +// for( i=0; i 2 ) +// exit( 1 ); +// scores->selfscore = (int)blastresults[0]; //iinoka? + } + } + else + gappick0( mseq1[0], seq[scores[picks[j]].numinseq] ); + } + else + { + table1 = (short *)calloc( tsize, sizeof( short ) ); + if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); + makecompositiontable_p( table1, scores[picks[j]].pointt ); + } + + selfscore0 = scores[picks[j]].selfscore; + pickmtx[j][0] = 0.0; + for( i=j+1; i scores[picks[i]].orilen ) + { + longer = (double)scores[picks[j]].orilen; + shorter = (double)scores[picks[i]].orilen; + } + else + { + longer = (double)scores[picks[i]].orilen; + shorter = (double)scores[picks[j]].orilen; + } + + #if LENFAC + lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); + // lenfac = 1.0 / ( (double)LENFACA + (double)LENFACB / ( (double)longer + (double)LENFACC ) + (double)shorter / (double)longer * LENFACD ); + // fprintf( stderr, "lenfac = %f l=%d,%d\n", lenfac,scores->orilen, scores[i].orilen ); + #else + lenfac = 1.0; + #endif + + if( doalign ) + { + if( doalign == 'f' ) + { + pickmtx[j][i-j] = ( 1.0 - blastresults[i] / MIN( selfscore0, scores[picks[i]].selfscore ) ) * 1; + if( pickmtx[j][i-j] < 0.0 ) pickmtx[j][i-j] = 0.0; + } + else + { + if( fromaln ) + { + fprintf( stderr, "%d-%d/%d\r", j, i, npick ); + pickmtx[j][i-j] = ( 1.0 - (double)naivepairscore11( orialn[scores[picks[i]].numinseq], orialn[scores[picks[j]].numinseq], penalty ) / MIN( selfscore0, scores[picks[i]].selfscore ) ) * 1; + } + else + { +// fprintf( stderr, "\r%d / %d ", i, nin ); + gappick0( mseq2[0], seq[scores[picks[i]].numinseq] ); + pickmtx[j][i-j] = ( 1.0 - (double)G__align11_noalign( amino_disLN, -1200, -60, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[picks[i]].selfscore ) ) * 1; + // fprintf( stderr, "scores[picks[i]] = %f\n", scores[picks[i]].score ); + } + } + } + else + { + pickmtx[j][i-j] = ( 1.0 - (double)commonsextet_p( table1, scores[picks[i]].pointt ) / MIN( selfscore0, scores[picks[i]].selfscore ) ) * lenfac; + if( pickmtx[j][i-j] > MAX6DIST ) pickmtx[j][i-j] = MAX6DIST; + } + + } + if( doalign == 'f' ) free( blastresults ); + if( doalign == 0 ) free( table1 ); + } + + dfromcp = AllocateDoubleMtx( npick, nin ); + dfromc = AllocateDoubleMtx( npick, 0 ); + + for( i=0; i 2 ) + { + float avdist; + float avdist1; + float avdist2; + float maxavdist; + int splinter; + int count; + int dochokoho; + splinter = 0; + int *docholist; + int *docholistbk; + maxavdist = 0.0; + for( i=0; i 1 ) + { + nyuko = 2; + yukos[0] = picks[0]; yukos[1] = picks[1]; + closeh[picks[0]] = yukos[0]; + closeh[picks[1]] = yukos[1]; + } + else + { + nyuko = 1; + yukos[0] = picks[0]; + closeh[picks[0]] = yukos[0]; + } +#elif HUKINTOTREE + if( npick > 2 ) + { +#if 0 + float avdist; + float maxavdist; + int count; + int splinter; + maxavdist = 0.0; + splinter=0; + for( i=0; i, npick=%d members = \n", npick ); +// for( i=0; i %d, because %f < %f\n", p_o_map[j]+1, p_o_map[i]+1, pickmtx[i][j-i], kijun ); +#if 0 + if( scores[picks[i]].orilen > scores[picks[j]].orilen ) + { + fprintf( stderr, "%d => %d\n", p_o_map[j]+1, p_o_map[i]+1 ); + tsukau[j] = 0; + } + else + { + fprintf( stderr, "%d => %d\n", p_o_map[i]+1, p_o_map[j]+1 ); + tsukau[i] = 0; + } + if( 0 && j == npick-1 ) tsukau[i] = 0; + else tsukau[j] = 0; + fprintf( stderr, "tsukau[%d] = %d (%d inori)\n", j, tsukau[j], p_o_map[j]+1 ); +#else + tsukau[j] = 0; + closeh[picks[j]] = closeh[picks[i]]; +// fprintf( stderr, "%d => tsukawanai\n", j ); +#endif + } + } + } + } + for( ii=0,i=0; i yukomtx[i][j-i] ) + minscoreinpick[i] = yukomtx[i][j-i]; + } + for( j=0; j yukomtx[j][i-j] ) + minscoreinpick[i] = yukomtx[j][i-j]; + } + fprintf( stderr, "minscoreinpick[%d(%dinori)] = %f\n", i, y_o_map[i]+1, minscoreinpick[i] ); + } +#endif + + +#if TREE + if( treeout ) + { + children = calloc( nyuko+1, sizeof( char * ) ); + for( i=0; iselfscore ); +// fprintf( stderr, "seq[%d] = scores->seq = \n%s\n", scores->numinseq, seq[scores->numinseq] ); + + uniform = -1; + for( j=0; j scores[j].orilen ) + { + longer = scores[yukos[i]].orilen; + shorter = scores[j].orilen; + } + else + { + shorter = scores[yukos[i]].orilen; + longer = scores[j].orilen; + } + +#if LENFAC +// lenfac = 1.0 / ( (double)LENFACA + (double)LENFACB / ( (double)longer + (double)LENFACC ) + (double)shorter / (double)longer * LENFACD ); + lenfac = 1.0 / ( shorter / longer * lenfacd + lenfacb / ( longer + lenfacc ) + lenfaca ); +// lenfac = 1.0 / ( shorter / longer * LENFACD + LENFACB / ( longer + LENFACC ) + LENFACA ); +// fprintf( stderr, "lenfac = %f, l=%d, %d\n", lenfac, scores[yukos[i]].orilen, scores[j].orilen ); +#else + lenfac = 1.0; +#endif +#if 0 // iihazu -> dame + ii = s_y_map[j]; jj=s_y_map[yukos[i]]; + if( ii != -1 && jj != -1 ) + { + if( dfromc[ii][yukos[jj]] != -0.5 ) + { + dfromc[i][j] = dfromc[ii][yukos[jj]]; + } + else + { + if( ii > jj ) + { + kk = jj; + jj = ii; + ii = kk; + } + dfromc[ii][yukos[jj]] = + dfromc[i][j] = yukomtx[ii][jj-ii]; + } + } + else +#else + if( dfromc[i][j] == -0.5 ) +#endif + { + if( doalign ) + { + if( doalign == 'f' ) + { + dfromc[i][j] = + ( 1.0 - blastresults[j] / MIN( selfscore0, scores[j].selfscore ) ) * 1; + if( dfromc[i][j] < 0.0 ) dfromc[i][j] = 0.0; + } + else + { + if( fromaln ) + { + dfromc[i][j] = ( 1.0 - (double)naivepairscore11( orialn[scores[j].numinseq], orialn[scores[yukos[i]].numinseq], penalty ) / MIN( selfscore0, scores[j].selfscore ) ) * 1; + } + else + { + gappick0( mseq2[0], seq[scores[j].numinseq] ); + dfromc[i][j] = ( 1.0 - (double)G__align11_noalign( amino_disLN, -1200, -60, mseq1, mseq2, palloclen ) / MIN( selfscore0, scores[j].selfscore ) ) * 1; + } + } + } + else + { + dfromc[i][j] = ( 1.0 - (double)commonsextet_p( table1, scores[j].pointt ) / MIN( selfscore0, scores[j].selfscore ) ) * lenfac; + if( dfromc[i][j] > MAX6DIST ) dfromc[i][j] = MAX6DIST; + } + } +// fprintf( stderr, "i,j=%d,%d (%d,%d)/ %d,%d, dfromc[][]=%f \n", i, j, scores[yukos[i]].numinseq+1, scores[j].numinseq+1, nyuko, nin, dfromc[i][j] ); + +// if( i == 1 ) +// fprintf( stdout, "&&& dfromc[%d][%d] (%d,%d) = %f\n", i, j, p_o_map[i], scores[j].numinseq, dfromc[i][j] ); + } +// fprintf( stderr, "i=%d, freeing\n", i ); + if( !doalign ) free( table1 ); + if( doalign && doalign == 'f' ) free( blastresults ); + } + fprintf( stderr, " \r" ); + + + + + for( i=0; iselfscore, scores->orilen, scores[nin-1].orilen, nin ); + for( j=0; j%d(%dinori)\n", j, scores[j].numinseq+1, belongto, y_o_map[belongto]+1 ); + } + else +// if( belongto == -1 ) +#else + belongto = s_y_map[j]; + if( belongto == -1 ) +#endif + { + belongto = 0; // default ha horyu + minscore = dfromc[0][j]; + for( i=0; i ( minscoreinpick[yukos[i]] + minscoreinpick[j] ) * 1.0 ) +// if( rnd() < 0.5 ) // CHUUI !!!!! + { +// fprintf( stderr, "yuko-%d (%d in ori) to score-%d (%d inori) ha tikai, %f>%f\n", i, y_o_map[i]+1, j, scores[j].numinseq+1, minscore, dfromc[i][j] ); + minscore = dfromc[i][j]; + belongto = i; + } + } + } +#if 0 + if( dfromc[belongto][j] > minscoreinpick[belongto] ) + { + fprintf( stderr, "dame, %f > %f\n", dfromc[belongto][j], minscoreinpick[belongto] ); + belongto = npick; + } + else + fprintf( stderr, "ok, %f < %f\n", dfromc[belongto][j], minscoreinpick[belongto] ); +#endif +// fprintf( stderr, "j=%d (%d inori) -> %d (%d inori) d=%f\n", j, scores[j].numinseq+1, belongto, y_o_map[belongto]+1, dfromc[belongto][j] ); +// fprintf( stderr, "numin = %d\n", numin[belongto] ); + outs[belongto] = realloc( outs[belongto], sizeof( Scores ) * ( numin[belongto] + 1 ) ); + outs[belongto][numin[belongto]] = scores[j]; + numin[belongto]++; + + } + free( dfromcp ); + FreeDoubleMtx( dfromc ); + +// fprintf( stderr, "##### npick = %d\n", npick ); +// fprintf( stderr, "##### nyuko = %d\n", nyuko ); + + + if( nyuko > 2 ) + { + fprintf( stderr, "upgma " ); +// veryfastsupg_float_realloc_nobk_halfmtx( nyuko, yukomtx, topol, len ); + fixed_musclesupg_float_realloc_nobk_halfmtx( nyuko, yukomtx, topol, len, NULL ); + fprintf( stderr, "\r \r" ); + } + else + { + topol[0][0] = (int *)realloc( topol[0][0], 2 * sizeof( int ) ); + topol[0][1] = (int *)realloc( topol[0][1], 2 * sizeof( int ) ); + topol[0][0][0] = 0; + topol[0][0][1] = -1; + topol[0][1][0] = 1; + topol[0][1][1] = -1; + } + FreeFloatHalfMtx( yukomtx, npick ); + +#if 0 + ii = nyuko-1; + fprintf( stderr, "nyuko = %d, topol[][] = \n", nyuko ); + for( j=0; j 1 ) + { + fprintf( stderr, "\ncalling a child, pick%d (%d inori): # of mem=%d\n", i, p_o_map[ii]+1, numin[ii] ); + for( j=0; jnuminseq ); + } + + + for( i=0; i= classsize || !aligned ) + val = 0; + else + val = 1; + + if( nyuko > 1 ) + { + int *mem1p, *mem2p; + int mem1size, mem2size; + int v1 = 0, v2 = 0, v3 = 0; + int nlim; + int l; + static int *mem1 = NULL; + static int *mem2 = NULL; + char **parttree = NULL; // by Mathog + +#if TREE + if( treeout ) + { + parttree = (char **)calloc( nyuko, sizeof( char * ) ); + for( i=0; inuminseq; + } + } + *mptr = -1; + + mem2p = topol[l][1]; + mptr = mem2; + mem2size = 0; + while( *mem2p != -1 ) + { +// fprintf( stderr, "*mem2p = %d (%d inori), numin[]=%d\n", *mem2p, p_o_map[*mem2p], numin[*mem2p] ); + i = numin[*mem2p]; ptr = outs[*(mem2p++)]; + mem2size += i; + while( i-- ) + { + *mptr++ = (ptr++)->numinseq; + } + } + *mptr = -1; + + qsort( mem1, mem1size, sizeof( int ), (int (*)())intcompare ); + qsort( mem2, mem2size, sizeof( int ), (int (*)())intcompare ); +// selhead( mem1, numin[0] ); +// selhead( mem2, numin[1] ); + + +#if 0 + fprintf( stderr, "\n" ); + fprintf( stderr, "mem1 (nin=%d) = \n", nin ); + for( i=0; ; i++ ) + { + fprintf( stderr, "%d ", mem1[i]+1 ); + if( mem1[i] == -1 ) break; + } + fprintf( stderr, "\n" ); + fprintf( stderr, "mem2 (nin=%d) = \n", nin ); + for( i=0; ; i++ ) + { + fprintf( stderr, "%d ", mem2[i]+1 ); + if( mem2[i] == -1 ) break; + } + fprintf( stderr, "\n" ); +#endif + +#if 0 + fprintf( stderr, "before pairalign, l = %d, nyuko=%d, mem1size=%d, mem2size=%d\n", l, nyuko, mem1size, mem2size ); + fprintf( stderr, "before alignment\n" ); + for( j=0; j v2 ) + { + v3 = v1; + v1 = v2; + v2 = v3; + } +// fprintf( stderr, "nyuko=%d, v1=%d, v2=%d after sort\n", nyuko, v1, v2 ); +// fprintf( stderr, "nyuko=%d, v1=%d, v2=%d\n", nyuko, v1, v2 ); +// fprintf( stderr, "v1=%d, v2=%d, parttree[v1]=%s, parttree[v2]=%s\n", v1, v2, parttree[v1], parttree[v2] ); + sprintf( *tree, "(%s,%s)", parttree[v1], parttree[v2] ); + strcpy( parttree[v1], *tree ); +// fprintf( stderr, "parttree[%d] = %s\n", v1, parttree[v1] ); +// fprintf( stderr, "*tree = %s\n", *tree ); + free( parttree[v2] ); parttree[v2] = NULL; + } +#endif + +#if 0 + fprintf( stderr, "after alignment\n" ); + for( j=0; j maxdepth ) maxdepth = *depthpt; + (*depthpt)++; + } + } + else + { +#if TREE + if( treeout ) + { + sprintf( *tree, "%s", children[0] ); + free( children[0] ); + free( children ); + } +#endif + } + for( i=0; i njob ) + tokyoripara = 0.0; + + + alloclen = nlenmax * 2; + name = AllocateCharMtx( njob, B+1 ); + + if( classsize == 1 ) + seq = AllocateCharMtx( njob, 0 ); + else + seq = AllocateCharMtx( njob, alloclen+1 ); + + + nlen = AllocateIntVec( njob ); + tmpseq = calloc( nlenmax+1, sizeof( char ) ); + pointt = AllocateIntMtx( njob, 0 ); + grpseq = AllocateIntVec( nlenmax + 1 ); + order = (int *)calloc( njob + 1, sizeof( int ) ); + whichgroup = (int *)calloc( njob, sizeof( int ) ); + weight = (double *)calloc( njob, sizeof( double ) ); + + fprintf( stderr, "alloclen = %d in main\n", alloclen ); + + for( i=0; i maxl ) maxl = nlen[i]; + if( dorp == 'd' ) /* nuc */ + { + if( seq_grp_nuc( grpseq, tmpseq ) < 6 ) + { + fprintf( stderr, "Seq %d, too short.\n", i+1 ); + fprintf( stderr, "name = %s\n", name[i] ); + fprintf( stderr, "seq = %s\n", seq[i] ); + exit( 1 ); +// continue; + } + makepointtable_nuc( pointt[i], grpseq ); + } + else /* amino */ + { + if( seq_grp( grpseq, tmpseq ) < 6 ) + { + fprintf( stderr, "Seq %d, too short.\n", i+1 ); + fprintf( stderr, "name = %s\n", name[i] ); + fprintf( stderr, "seq = %s\n", seq[i] ); + exit( 1 ); +// continue; + } + makepointtable( pointt[i], grpseq ); + } +// fprintf( stdout, ">%s\n", name[i] ); +// fprintf( stdout, "%s\n", seq[i] ); + } +// exit( 1 ); + +#if 0 + fprintf( stderr, "params = %d, %d, %d\n", penalty, penalty_ex, offset ); +#endif + + initSignalSM(); + + initFiles(); + + WriteOptions( trap_g ); + + c = seqcheck( seq ); + if( c ) + { + fprintf( stderr, "Illeagal character %c\n", c ); + exit( 1 ); + } + + pid = (int)getpid(); + sprintf( datafile, "/tmp/data-%d", pid ); + sprintf( queryfile, "/tmp/query-%d", pid ); + sprintf( resultfile, "/tmp/fasta-%d", pid ); + + scores = (Scores *)calloc( njob, sizeof( Scores ) ); + +// fprintf( stderr, "\nCalculating i-i scores ... \n" ); + for( i=0; iselfscore = %d\n", i, scores[i].selfscore ); + free( blastresults ); +#else + pscore = 0; + if( scoremtx == -1 ) + { + st = 1; + en = 0; + for( pt=seq[i]; *pt; pt++ ) + { + if( *pt == 'u' ) *pt = 't'; + aan = amino_n[(int)*pt]; + if( aan<0 || aan >= 4 ) *pt = 'n'; + + if( *pt == 'n' ) + { + en++; + if( st ) continue; + else pscore += tmpaminodis[(int)*pt][(int)*pt]; + } + else + { + st = 0; + en = 0; + pscore += tmpaminodis[(int)*pt][(int)*pt]; + } + } + scores[i].selfscore = pscore - en * tmpaminodis['n']['n']; + } + else + { + st = 1; + en = 0; + for( pt=seq[i]; *pt; pt++ ) + { + aan = amino_n[(int)*pt]; + if( aan<0 || aan >= 20 ) *pt = 'X'; + if( *pt == 'X' ) + { + en++; + if( st ) continue; + else pscore += tmpaminodis[(int)*pt][(int)*pt]; + } + else + { + st = 0; + en = 0; + pscore += tmpaminodis[(int)*pt][(int)*pt]; + } + } + scores[i].selfscore = pscore - en * tmpaminodis['X']['X']; + } +#endif + } + else + { + pscore = 0; + for( pt=seq[i]; *pt; pt++ ) + { + pscore += amino_dis[(int)*pt][(int)*pt]; + } + scores[i].selfscore = pscore; + } +// fprintf( stderr, "selfscore[%d] = %d\n", i+1, scores[i].selfscore ); + } + else + { + table1 = (short *)calloc( tsize, sizeof( short ) ); + if( !table1 ) ErrorExit( "Cannot allocate table1\n" ); + makecompositiontable_p( table1, pointt[i] ); + scores[i].selfscore = commonsextet_p( table1, pointt[i] ); + free( table1 ); + } + } + if( tmpaminodis ) FreeIntMtx( tmpaminodis ); + + depth = 0; +#if TREE + if( treeout ) + { + tree = (char **)calloc( 1, sizeof( char *) ); + *tree = NULL; +// splitseq_bin( scores, njob, nlen, seq, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight ); + completed = splitseq_mq( scores, njob, nlen, seq, orialn, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight, &depth, -1 ); + treefile = (char *)calloc( strlen( inputfile ) + 10, sizeof( char ) ); + if( inputfile ) + sprintf( treefile, "%s.tree", inputfile ); + else + sprintf( treefile, "splittbfast.tree" ); + treefp = fopen( treefile, "w" ); + fprintf( treefp, "%s\n", *tree ); + fclose( treefp ); + } + else + completed = splitseq_mq( scores, njob, nlen, seq, orialn, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight, &depth, -1 ); +#else + completed = splitseq_mq( scores, njob, nlen, seq, orialn, name, inputfile, 0, tree, &alloclen, order, whichgroup, weight, &depth, -1 ); +#endif + + fprintf( stderr, "\nDone.\n\n" ); + +#if 1 + groupnum = 0; + groupid = -1; + paramem = NULL; + npara = 0; + for( i=0; i 1 && classsize > 2 ) + { + qsort( paramem, npara, sizeof( int ), (int (*)(const void *, const void*))intcompare ); +// selhead( paramem, npara ); + alignparaphiles( njob, nlen, weight, seq, npara, paramem, &alloclen ); + } + free( paramem ); paramem = NULL; npara = 0; + } + sprintf( tmpname, "Group-%d %s", groupnum, name[pos]+1 ); + } + else + { + paramem = realloc( paramem, sizeof( int) * ( npara + 2 ) ); + paramem[npara++] = pos; + sprintf( tmpname, "Group-para %s", name[pos]+1 ); + } + tmpname[B-1] = 0; + if( classsize > 1 && classsize <= njob ) + strcpy( name[pos]+1, tmpname ); + } + if( paramem ) + { + paramem[npara] = -1; + if( npara > 1 && classsize > 2 ) + { + qsort( paramem, npara, sizeof( int ), (int (*)(const void *, const void*))intcompare ); +// selhead( paramem, npara ); + alignparaphiles( njob, nlen, weight, seq, npara, paramem, &alloclen ); + } + free( paramem ); paramem = NULL; npara = 0; + } +#else + for( i=0; i 1 ) + { + fprintf( stderr, "\n\n" ); + fprintf( stderr, "----------------------------------------------------------------------------\n" ); + fprintf( stderr, "\n" ); + fprintf( stderr, "groupsize = %d, picksize=%d\n", classsize, picksize ); + fprintf( stderr, "The input sequences have been classified into %d groups + some paraphyletic groups\n", groupnum ); + fprintf( stderr, "Note that the alignment is not completed.\n" ); + if( reorder ) + fprintf( stderr, "The order of sequences has been changed according to estimated similarity.\n" ); +#if TREE + if( treeout ) + { + fprintf( stderr, "\n" ); + fprintf( stderr, "A guide tree is in the '%s' file.\n", treefile ); + } +// else +// { +// fprintf( stderr, "To output guide tree,\n" ); +// fprintf( stderr, "%% %s -t -i %s\n", progName( argv[0] ), "inputfile" ); +// } +#endif + if( !doalign ) + { + fprintf( stderr, "\n" ); + fprintf( stderr, "mafft --dpparttree might give a better result, although slow.\n" ); + fprintf( stderr, "mafft --fastaparttree is also available if you have fasta34.\n" ); + } + fprintf( stderr, "\n" ); + fprintf( stderr, "----------------------------------------------------------------------------\n" ); + } + else + { + fprintf( stderr, "\n\n" ); + fprintf( stderr, "----------------------------------------------------------------------------\n" ); + fprintf( stderr, "\n" ); + fprintf( stderr, "nseq = %d\n", njob ); + fprintf( stderr, "groupsize = %d, partsize=%d\n", classsize, picksize ); +// fprintf( stderr, "A single alignment containing all the input sequences has been computed.\n" ); +// fprintf( stderr, "If the sequences are highly diverged and you feel there are too many gaps,\n" ); +// fprintf( stderr, "please try \n" ); +// fprintf( stderr, "%% mafft --parttree --groupsize 100 inputfile\n" ); +// fprintf( stderr, "which classifies the sequences into several groups with <~ 100 sequences\n" ); +// fprintf( stderr, "and performs only intra-group alignments.\n" ); + if( reorder ) + fprintf( stderr, "The order of sequences has been changed according to estimated similarity.\n" ); +#if TREE + if( treeout ) + { + fprintf( stderr, "\n" ); + fprintf( stderr, "A guide tree is in the '%s' file.\n", treefile ); + } +// else +// { +// fprintf( stderr, "To output guide tree,\n" ); +// fprintf( stderr, "%% %s -t -i %s\n", progName( argv[0] ), "inputfile" ); +// } +#endif + if( !doalign || fromaln ) + { + fprintf( stderr, "\n" ); + fprintf( stderr, "mafft --dpparttree might give a better result, although slow.\n" ); + fprintf( stderr, "mafft --fastaparttree is also available if you have fasta34.\n" ); + } + fprintf( stderr, "\n" ); + fprintf( stderr, "----------------------------------------------------------------------------\n" ); + } +#if TREE + if( treeout ) free( treefile ); +#endif + +#if 0 + fprintf( stdout, "weight =\n" ); + for( i=0; iwm > s2->wm ) return( -1 ); + else if ( s1->wm < s2->wm ) return( 1 ); + else return( 0 ); +} + +static void match_calc( float *match, char **s1, char **s2, int i1, int lgth2 ) +{ + int j; + + for( j=0; j lgth1, outgap == 1 -> lgth1+1 */ + int lgth1, lgth2; + int resultlen; + float wm = 0.0; // by D.Mathog, + float g; + float *currentw, *previousw; +#if 1 + float *wtmp; + int *ijpipt; + int *ijpjpt; + float *mjpt, *Mjpt, *prept, *curpt; + int *mpjpt, *Mpjpt; +#endif + static float mi, *m; + static float Mi, *largeM; + static int **ijpi; + static int **ijpj; + static int mpi, *mp; + static int Mpi, *Mp; + static float *w1, *w2; +// static float *match; + static float *initverticalw; /* kufuu sureba iranai */ + static float *lastverticalw; /* kufuu sureba iranai */ + static char **mseq1; + static char **mseq2; + static float **cpmx1; + static float **cpmx2; + static int **intwork; + static float **floatwork; + static int orlgth1 = 0, orlgth2 = 0; + float maxwm; + float tbk; + int tbki, tbkj; + int endali, endalj; +// float localthr = 0.0; +// float localthr2 = 0.0; + float fpenalty = (float)penalty; + float fpenalty_OP = (float)penalty_OP; + float fpenalty_ex = (float)penalty_ex; +// float fpenalty_EX = (float)penalty_EX; + float foffset = (float)offset; + float localthr = -foffset; + float localthr2 = -foffset; + static Shuryoten *shuryo = NULL; + int numshuryo; + float minshuryowm = 0.0; // by D.Mathog + int minshuryopos = 0; // by D.Mathog + float resf; + + +// fprintf( stderr, "@@@@@@@@@@@@@ penalty_OP = %f, penalty_EX = %f, pelanty = %f\n", fpenalty_OP, fpenalty_EX, fpenalty ); + + fprintf( stderr, "in suboptalign11\n" ); + if( !shuryo ) + { + shuryo = (Shuryoten *)calloc( 100, sizeof( Shuryoten ) ); + } + for( i=0; i<100; i++ ) + { + shuryo[i].i = -1; + shuryo[i].j = -1; + shuryo[i].wm = 0.0; + } + numshuryo = 0; + + if( orlgth1 == 0 ) + { + } + + + lgth1 = strlen( seq1[0] ); + lgth2 = strlen( seq2[0] ); + + fprintf( stderr, "in suboptalign11 step 1\n" ); + + if( lgth1 > orlgth1 || lgth2 > orlgth2 ) + { + int ll1, ll2; + + fprintf( stderr, "in suboptalign11 step 1.3\n" ); + if( orlgth1 > 0 && orlgth2 > 0 ) + { + fprintf( stderr, "in suboptalign11 step 1.4\n" ); + FreeFloatVec( w1 ); + FreeFloatVec( w2 ); +// FreeFloatVec( match ); + FreeFloatVec( initverticalw ); + FreeFloatVec( lastverticalw ); + fprintf( stderr, "in suboptalign11 step 1.5\n" ); + + FreeFloatVec( m ); + FreeIntVec( mp ); + FreeFloatVec( largeM ); + FreeIntVec( Mp ); + fprintf( stderr, "in suboptalign11 step 1.6\n" ); + + + FreeFloatMtx( cpmx1 ); + FreeFloatMtx( cpmx2 ); + + fprintf( stderr, "in suboptalign11 step 1.7\n" ); + FreeFloatMtx( floatwork ); + FreeIntMtx( intwork ); + } + + ll1 = MAX( (int)(1.3*lgth1), orlgth1 ) + 100; + ll2 = MAX( (int)(1.3*lgth2), orlgth2 ) + 100; + +#if DEBUG + fprintf( stderr, "\ntrying to allocate (%d+%d)xn matrices ... ", ll1, ll2 ); +#endif + + w1 = AllocateFloatVec( ll2+2 ); + w2 = AllocateFloatVec( ll2+2 ); +// match = AllocateFloatVec( ll2+2 ); + + initverticalw = AllocateFloatVec( ll1+2 ); + lastverticalw = AllocateFloatVec( ll1+2 ); + + m = AllocateFloatVec( ll2+2 ); + mp = AllocateIntVec( ll2+2 ); + largeM = AllocateFloatVec( ll2+2 ); + Mp = AllocateIntVec( ll2+2 ); + + cpmx1 = AllocateFloatMtx( 26, ll1+2 ); + cpmx2 = AllocateFloatMtx( 26, ll2+2 ); + + floatwork = AllocateFloatMtx( 26, MAX( ll1, ll2 )+2 ); + intwork = AllocateIntMtx( 26, MAX( ll1, ll2 )+2 ); + + mseq1 = AllocateCharMtx( njob, ll1+ll2 ); + mseq2 = AllocateCharMtx( njob, ll1+ll2 ); + +#if DEBUG + fprintf( stderr, "succeeded\n" ); +#endif + + orlgth1 = ll1 - 100; + orlgth2 = ll2 - 100; + } + fprintf( stderr, "in suboptalign11 step 1.6\n" ); + + + + fprintf( stderr, "in suboptalign11 step 2\n" ); + + if( orlgth1 > commonAlloc1 || orlgth2 > commonAlloc2 ) + { + int ll1, ll2; + + if( commonAlloc1 && commonAlloc2 ) + { + FreeIntMtx( commonIP ); + FreeIntMtx( commonJP ); + FreeIntMtx( used ); + } + + ll1 = MAX( orlgth1, commonAlloc1 ); + ll2 = MAX( orlgth2, commonAlloc2 ); + +#if DEBUG + fprintf( stderr, "\n\ntrying to allocate %dx%d matrices ... ", ll1+1, ll2+1 ); +#endif + + used = AllocateIntMtx( ll1+10, ll2+10 ); + commonIP = AllocateIntMtx( ll1+10, ll2+10 ); + commonJP = AllocateIntMtx( ll1+10, ll2+10 ); + +#if DEBUG + fprintf( stderr, "succeeded\n\n" ); +#endif + + commonAlloc1 = ll1; + commonAlloc2 = ll2; + } + ijpi = commonIP; + ijpj = commonJP; + + +#if 0 + for( i=0; i", wm ); +#endif + g = mi + fpenalty; +#if 0 + fprintf( stderr, "%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; +// *ijpipt = i - 1; + *ijpjpt = mpi; + } + g = *prept; + if( g > mi ) + { + mi = g; + mpi = j-1; + } + +#if USE_PENALTY_EX + mi += fpenalty_ex; +#endif + +#if 0 + fprintf( stderr, "%5.0f->", wm ); +#endif + g = *mjpt + fpenalty; +#if 0 + fprintf( stderr, "m%5.0f?", g ); +#endif + if( g > wm ) + { + wm = g; + *ijpipt = *mpjpt; +// *ijpjpt = j - 1; + } + g = *prept; + if( g > *mjpt ) + { + *mjpt = g; + *mpjpt = i-1; + } +#if USE_PENALTY_EX + *mjpt += fpenalty_ex; +#endif + + + g = tbk + fpenalty_OP; +// g = tbk; + if( g > wm ) + { + wm = g; + *ijpipt = tbki; + *ijpjpt = tbkj; +// fprintf( stderr, "hit! i%d, j%d, ijpi = %d, ijpj = %d\n", i, j, *ijpipt, *ijpjpt ); + } + g = Mi; + if( g > tbk ) + { + tbk = g; + tbki = i-1; + tbkj = Mpi; + } + g = *Mjpt; + if( g > tbk ) + { + tbk = g; + tbki = *Mpjpt; + tbkj = j-1; + } +// tbk += fpenalty_EX;// + foffset; + + g = *prept; + if( g > *Mjpt ) + { + *Mjpt = g; + *Mpjpt = i-1; + } +// *Mjpt += fpenalty_EX;// + foffset; + + g = *prept; + if( g > Mi ) + { + Mi = g; + Mpi = j-1; + } +// Mi += fpenalty_EX;// + foffset; + + +// fprintf( stderr, "wm=%f, tbk=%f(%c-%c), mi=%f, *mjpt=%f\n", wm, tbk, seq1[0][tbki], seq2[0][tbkj], mi, *mjpt ); +// fprintf( stderr, "ijp = %c,%c\n", seq1[0][abs(*ijpipt)], seq2[0][abs(*ijpjpt)] ); + + + if( maxwm < wm ) + { + maxwm = wm; + endali = i; + endalj = j; + } + +#if 1 + if( numshuryo < 100 ) + { + shuryo[numshuryo].i = i; + shuryo[numshuryo].j = j; + shuryo[numshuryo].wm = wm; + + if( minshuryowm > wm ) + { + minshuryowm = wm; + minshuryopos = numshuryo; + } + numshuryo++; + } + else + { + if( wm > minshuryowm ) + { + shuryo[minshuryopos].i = i; + shuryo[minshuryopos].j = j; + shuryo[minshuryopos].wm = wm; + minshuryowm = wm; + for( k=0; k<100; k++ ) // muda + { + if( shuryo[k].wm < minshuryowm ) + { + minshuryowm = shuryo[k].wm; + minshuryopos = k; + break; + } + } + } + } +#endif +#if 1 + if( wm < localthr ) + { +// fprintf( stderr, "stop i=%d, j=%d, curpt=%f\n", i, j, *curpt ); + *ijpipt = localstop; +// *ijpjpt = localstop; + wm = localthr2; + } +#endif +#if 0 + fprintf( stderr, "%5.0f ", *curpt ); +#endif +#if DEBUG2 + fprintf( stderr, "%5.0f ", wm ); +// fprintf( stderr, "%c-%c *ijppt = %d, localstop = %d\n", seq1[0][i], seq2[0][j], *ijppt, localstop ); +#endif + + *curpt += wm; + ijpipt++; + ijpjpt++; + mjpt++; + Mjpt++; + prept++; + mpjpt++; + Mpjpt++; + curpt++; + } +#if DEBUG2 + fprintf( stderr, "\n" ); +#endif + + lastverticalw[i] = currentw[lgth2-1]; + } + + for( k=0; k<100; k++ ) + { + fprintf( stderr, "shuryo[%d].i,j,wm = %d,%d,%f\n", k, shuryo[k].i, shuryo[k].j, shuryo[k].wm ); + } + + +#if 1 + fprintf( stderr, "maxwm = %f\n", maxwm ); + fprintf( stderr, "endali = %d\n", endali ); + fprintf( stderr, "endalj = %d\n", endalj ); +#endif + + qsort( shuryo, 100, sizeof( Shuryoten ), (int (*)())compshuryo ); + for( k=0; k<100; k++ ) + { + fprintf( stderr, "shuryo[%d].i,j,wm = %d,%d,%f\n", k, shuryo[k].i, shuryo[k].j, shuryo[k].wm ); + } + + + lasti = lgth1+1; + for( i=0; i\n%s\n", mseq1[0] ); + fprintf( stderr, ">\n%s\n", mseq2[0] ); +#endif + } + for( i=0; i<20; i++ ) + { + for( j=0; j<20; j++ ) + { + fprintf( stderr, "%2d ", used[i][j] ); + } + fprintf( stderr, "\n" ); + } + + +// fprintf( stderr, "### impmatch = %f\n", *impmatch ); + + resultlen = strlen( mseq1[0] ); + if( alloclen < resultlen || resultlen > N ) + { + fprintf( stderr, "alloclen=%d, resultlen=%d, N=%d\n", alloclen, resultlen, N ); + ErrorExit( "LENGTH OVER!\n" ); + } + + + + + + return( wm ); +} + diff --git a/binaries/src/mafft/core/tbfast.c b/binaries/src/mafft/core/tbfast.c new file mode 100644 index 0000000..6acce28 --- /dev/null +++ b/binaries/src/mafft/core/tbfast.c @@ -0,0 +1,1880 @@ +#include "mltaln.h" + +#define DEBUG 0 +#define IODEBUG 0 +#define SCOREOUT 0 + +static int nadd; +static int treein; +static int topin; +static int treeout; +static int distout; +static int noalign; + +typedef struct _jobtable +{ + int i; + int j; +} Jobtable; + +#ifdef enablemultithread +typedef struct _distancematrixthread_arg +{ + int njob; + int thread_no; + float *selfscore; + float **iscore; + char **seq; + Jobtable *jobpospt; + pthread_mutex_t *mutex; +} distancematrixthread_arg_t; + +typedef struct _treebasethread_arg +{ + int thread_no; + int *nrunpt; + int njob; + int *nlen; + int *jobpospt; + int ***topol; + Treedep *dep; + char **aseq; + double *effarr; + int *alloclenpt; + LocalHom **localhomtable; + RNApair ***singlerna; + double *effarr_kozo; + int *fftlog; + pthread_mutex_t *mutex; + pthread_cond_t *treecond; +} treebasethread_arg_t; +#endif + +void arguments( int argc, char *argv[] ) +{ + int c; + + nthread = 1; + outnumber = 0; + scoreout = 0; + treein = 0; + topin = 0; + rnaprediction = 'm'; + rnakozo = 0; + nevermemsave = 0; + inputfile = NULL; + addfile = NULL; + addprofile = 1; + fftkeika = 0; + constraint = 0; + nblosum = 62; + fmodel = 0; + calledByXced = 0; + devide = 0; + use_fft = 0; // chuui + force_fft = 0; + fftscore = 1; + fftRepeatStop = 0; + fftNoAnchStop = 0; + weight = 3; + utree = 1; + tbutree = 1; + refine = 0; + check = 1; + cut = 0.0; + disp = 0; + outgap = 1; + alg = 'A'; + mix = 0; + tbitr = 0; + scmtd = 5; + tbweight = 0; + tbrweight = 3; + checkC = 0; + treemethod = 'X'; + contin = 0; + scoremtx = 1; + kobetsubunkatsu = 0; + dorp = NOTSPECIFIED; + ppenalty = NOTSPECIFIED; + ppenalty_ex = NOTSPECIFIED; + poffset = NOTSPECIFIED; + kimuraR = NOTSPECIFIED; + pamN = NOTSPECIFIED; + geta2 = GETA2; + fftWinSize = NOTSPECIFIED; + fftThreshold = NOTSPECIFIED; + RNAppenalty = NOTSPECIFIED; + RNAppenalty_ex = NOTSPECIFIED; + RNApthr = NOTSPECIFIED; + TMorJTT = JTT; + consweight_multi = 1.0; + consweight_rna = 0.0; + + while( --argc > 0 && (*++argv)[0] == '-' ) + { + while ( ( c = *++argv[0] ) ) + { + switch( c ) + { + case 'i': + inputfile = *++argv; + fprintf( stderr, "inputfile = %s\n", inputfile ); + --argc; + goto nextoption; + case 'I': + nadd = atoi( *++argv ); + fprintf( stderr, "nadd = %d\n", nadd ); + --argc; + goto nextoption; + case 'e': + RNApthr = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'o': + RNAppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); + --argc; + goto nextoption; + case 'f': + ppenalty = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "ppenalty = %d\n", ppenalty ); + --argc; + goto nextoption; + case 'g': + ppenalty_ex = (int)( atof( *++argv ) * 1000 - 0.5 ); + fprintf( stderr, "ppenalty_ex = %d\n", ppenalty_ex ); + --argc; + goto nextoption; + case 'h': + poffset = (int)( atof( *++argv ) * 1000 - 0.5 ); +// fprintf( stderr, "poffset = %d\n", poffset ); + --argc; + goto nextoption; + case 'k': + kimuraR = atoi( *++argv ); + fprintf( stderr, "kappa = %d\n", kimuraR ); + --argc; + goto nextoption; + case 'b': + nblosum = atoi( *++argv ); + scoremtx = 1; + fprintf( stderr, "blosum %d / kimura 200\n", nblosum ); + --argc; + goto nextoption; + case 'j': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = JTT; + fprintf( stderr, "jtt/kimura %d\n", pamN ); + --argc; + goto nextoption; + case 'm': + pamN = atoi( *++argv ); + scoremtx = 0; + TMorJTT = TM; + fprintf( stderr, "tm %d\n", pamN ); + --argc; + goto nextoption; + case 'l': + fastathreshold = atof( *++argv ); + constraint = 2; + --argc; + goto nextoption; + case 'r': + consweight_rna = atof( *++argv ); + rnakozo = 1; + --argc; + goto nextoption; + case 'c': + consweight_multi = atof( *++argv ); + --argc; + goto nextoption; + case 'C': + nthread = atoi( *++argv ); + fprintf( stderr, "nthread = %d\n", nthread ); + --argc; + goto nextoption; + case 'R': + rnaprediction = 'r'; + break; + case 's': + RNAscoremtx = 'r'; + break; +#if 1 + case 'a': + fmodel = 1; + break; +#endif + case 'K': + addprofile = 0; + break; + case 'y': + distout = 1; + break; + case 't': + treeout = 1; + break; + case 'T': + noalign = 1; + break; + case 'D': + dorp = 'd'; + break; + case 'P': + dorp = 'p'; + break; +#if 1 + case 'O': + outgap = 0; + break; +#else + case 'O': + fftNoAnchStop = 1; + break; +#endif + case 'S': + scoreout = 1; + break; +#if 0 + case 'e': + fftscore = 0; + break; + case 'r': + fmodel = -1; + break; + case 'R': + fftRepeatStop = 1; + break; + case 's': + treemethod = 's'; + break; +#endif + case 'X': + treemethod = 'X'; + break; + case 'E': + treemethod = 'E'; + break; + case 'q': + treemethod = 'q'; + break; + case 'n' : + outnumber = 1; + break; +#if 0 + case 'a': + alg = 'a'; + break; +#endif + case 'Q': + alg = 'Q'; + break; + case 'H': + alg = 'H'; + break; + case 'A': + alg = 'A'; + break; + case 'M': + alg = 'M'; + break; + case 'N': + nevermemsave = 1; + break; + case 'B': + break; + case 'F': + use_fft = 1; + break; + case 'G': + force_fft = 1; + use_fft = 1; + break; + case 'U': + treein = 1; + break; + case 'V': + topin = 1; + break; + case 'u': + tbrweight = 0; + weight = 0; + break; + case 'v': + tbrweight = 3; + break; + case 'd': + disp = 1; + break; +/* Modified 01/08/27, default: user tree */ + case 'J': + tbutree = 0; + break; +/* modification end. */ + case 'z': + fftThreshold = atoi( *++argv ); + --argc; + goto nextoption; + case 'w': + fftWinSize = atoi( *++argv ); + --argc; + goto nextoption; + case 'Z': + checkC = 1; + break; + default: + fprintf( stderr, "illegal option %c\n", c ); + argc = 0; + break; + } + } + nextoption: + ; + } + if( argc == 1 ) + { + cut = atof( (*argv) ); + argc--; + } + if( argc != 0 ) + { + fprintf( stderr, "options: Check source file !\n" ); + exit( 1 ); + } + if( tbitr == 1 && outgap == 0 ) + { + fprintf( stderr, "conflicting options : o, m or u\n" ); + exit( 1 ); + } + if( alg == 'C' && outgap == 0 ) + { + fprintf( stderr, "conflicting options : C, o\n" ); + exit( 1 ); + } +} + +#if 0 +static void *distancematrixthread2( void *arg ) +{ + distancematrixthread_arg_t *targ = (distancematrixthread_arg_t *)arg; + int njob = targ->njob; + int thread_no = targ->thread_no; + float *selfscore = targ->selfscore; + float **iscore = targ->iscore; + char **seq = targ->seq; + Jobtable *jobpospt = targ->jobpospt; + + float ssi, ssj, bunbo; + int i, j; + + while( 1 ) + { + pthread_mutex_lock( targ->mutex ); + i = jobpospt->i; + i++; + if( i == njob-1 ) + { + pthread_mutex_unlock( targ->mutex ); + return( NULL ); + } + jobpospt->i = i; + pthread_mutex_unlock( targ->mutex ); + + ssi = selfscore[i]; + if( i % 10 == 0 ) fprintf( stderr, "\r% 5d / %d (thread %4d)", i, njob, thread_no ); + for( j=i+1; jnjob; + int thread_no = targ->thread_no; + float *selfscore = targ->selfscore; + float **iscore = targ->iscore; + char **seq = targ->seq; + Jobtable *jobpospt = targ->jobpospt; + + float ssi, ssj, bunbo; + int i, j; + + while( 1 ) + { + pthread_mutex_lock( targ->mutex ); + j = jobpospt->j; + i = jobpospt->i; + j++; + if( j == njob ) + { + i++; + j = i + 1; + if( i == njob-1 ) + { + pthread_mutex_unlock( targ->mutex ); + return( NULL ); + } + } + jobpospt->j = j; + jobpospt->i = i; + pthread_mutex_unlock( targ->mutex ); + + + if( j==i+1 && i % 10 == 0 ) fprintf( stderr, "\r% 5d / %d (thread %4d)", i, njob, thread_no ); + ssi = selfscore[i]; + ssj = selfscore[j]; + bunbo = MIN( ssi, ssj ); + if( bunbo == 0.0 ) + iscore[i][j-i] = 1.0; + else + iscore[i][j-i] = 1.0 - naivepairscore11( seq[i], seq[j], penalty ) / bunbo; + } +} + +static void *treebasethread( void *arg ) +{ + treebasethread_arg_t *targ = (treebasethread_arg_t *)arg; + int *nrunpt = targ->nrunpt; + int thread_no = targ->thread_no; + int njob = targ->njob; + int *nlen = targ->nlen; + int *jobpospt = targ->jobpospt; + int ***topol = targ->topol; + Treedep *dep = targ->dep; + char **aseq = targ->aseq; + double *effarr = targ->effarr; + int *alloclen = targ->alloclenpt; + LocalHom **localhomtable = targ->localhomtable; + RNApair ***singlerna = targ->singlerna; + double *effarr_kozo = targ->effarr_kozo; + int *fftlog = targ->fftlog; + + char **mseq1, **mseq2; + char **localcopy; + int i, j, l; + int len1, len2; + int clus1, clus2; + float pscore; + char *indication1, *indication2; + double *effarr1 = NULL; + double *effarr2 = NULL; + double *effarr1_kozo = NULL; + double *effarr2_kozo = NULL; + LocalHom ***localhomshrink = NULL; + int m1, m2; + float dumfl = 0.0; + int ffttry; + RNApair ***grouprna1, ***grouprna2; + + + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + localcopy = calloc( njob, sizeof( char * ) ); + + if( rnakozo && rnaprediction == 'm' ) + { + grouprna1 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + grouprna2 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + } + else + { + grouprna1 = grouprna2 = NULL; + } + + effarr1 = AllocateDoubleVec( njob ); + effarr2 = AllocateDoubleVec( njob ); + indication1 = AllocateCharVec( 150 ); + indication2 = AllocateCharVec( 150 ); +#if 0 +#else + if( constraint ) + { + localhomshrink = (LocalHom ***)calloc( njob, sizeof( LocalHom ** ) ); + for( i=0; i main thread + if( constraint ) + calcimportance( njob, effarr, aseq, localhomtable ); +#endif + + +// writePre( njob, name, nlen, aseq, 0 ); + + +// for( l=0; lmutex ); + l = *jobpospt; + if( l == njob-1 ) + { + pthread_mutex_unlock( targ->mutex ); + if( commonIP ) FreeIntMtx( commonIP ); + commonIP = NULL; + Falign( NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, 0, NULL ); + A__align( NULL, NULL, NULL, NULL, 0, 0, 0, NULL, NULL, NULL, NULL, NULL, NULL, NULL, 0, NULL, 0, 0 ); + free( mseq1 ); + free( mseq2 ); + free( localcopy ); + free( effarr1 ); + free( effarr2 ); + free( effarr1_kozo ); + free( effarr2_kozo ); + free( indication1 ); + free( indication2 ); + if( constraint ) + { + for( i=0; itreecond, targ->mutex ); + } + if( dep[l].child1 != -1 ) + { + while( dep[dep[l].child1].done == 0 ) + pthread_cond_wait( targ->treecond, targ->mutex ); + } +// while( *nrunpt >= nthread ) +// pthread_cond_wait( targ->treecond, targ->mutex ); + (*nrunpt)++; + +// pthread_mutex_unlock( targ->mutex ); + + + m1 = topol[l][0][0]; + m2 = topol[l][1][0]; + +// pthread_mutex_lock( targ->mutex ); + + len1 = strlen( aseq[m1] ); + len2 = strlen( aseq[m2] ); + if( *alloclen <= len1 + len2 ) + { + fprintf( stderr, "\nReallocating (by thread %d) ..", thread_no ); + *alloclen = ( len1 + len2 ) + 1000; + ReallocateCharMtx( aseq, njob, *alloclen + 10 ); + fprintf( stderr, "done. *alloclen = %d\n", *alloclen ); + } + + for( i=0; (j=topol[l][0][i])!=-1; i++ ) + { + localcopy[j] = calloc( *alloclen, sizeof( char ) ); + strcpy( localcopy[j], aseq[j] ); + } + for( i=0; (j=topol[l][1][i])!=-1; i++ ) + { + localcopy[j] = calloc( *alloclen, sizeof( char ) ); + strcpy( localcopy[j], aseq[j] ); + } + + pthread_mutex_unlock( targ->mutex ); + + if( effarr_kozo ) + { + clus1 = fastconjuction_noname_kozo( topol[l][0], localcopy, mseq1, effarr1, effarr, effarr1_kozo, effarr_kozo, indication1 ); + clus2 = fastconjuction_noname_kozo( topol[l][1], localcopy, mseq2, effarr2, effarr, effarr2_kozo, effarr_kozo, indication2 ); + } + else + { + clus1 = fastconjuction_noname( topol[l][0], localcopy, mseq1, effarr1, effarr, indication1 ); + clus2 = fastconjuction_noname( topol[l][1], localcopy, mseq2, effarr2, effarr, indication2 ); + } + + + +#if 1 + fprintf( stderr, "\rSTEP % 5d /%d (thread %4d) ", l+1, njob-1, thread_no ); +#else + fprintf( stderr, "STEP %d /%d (thread %d) \n", l+1, njob-1, thread_no ); + fprintf( stderr, "group1 = %.66s", indication1 ); + if( strlen( indication1 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, ", child1 = %d\n", dep[l].child0 ); + fprintf( stderr, "group2 = %.66s", indication2 ); + if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, ", child2 = %d\n", dep[l].child1 ); + + fprintf( stderr, "Group1's lengths = " ); + for( i=0; i 30000 || len2 > 30000 ) ) ) + { + fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode.\n", len1, len2 ); + alg = 'M'; + if( commonIP ) FreeIntMtx( commonIP ); + commonAlloc1 = 0; + commonAlloc2 = 0; + } + + +// if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); + if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 1000 && clus2 < 1000 ); + else ffttry = 0; +// ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 5000 && clus2 < 5000 ); // v6.708 +// fprintf( stderr, "f=%d, len1/fftlog[m1]=%f, clus1=%d, len2/fftlog[m2]=%f, clus2=%d\n", ffttry, (float)len1/fftlog[m1], clus1, (float)len2/fftlog[m2], clus2 ); +// fprintf( stderr, "f=%d, clus1=%d, fftlog[m1]=%d, clus2=%d, fftlog[m2]=%d\n", ffttry, clus1, fftlog[m1], clus2, fftlog[m2] ); + if( constraint == 2 ) + { + if( alg == 'M' ) + { + fprintf( stderr, "\n\nMemory saving mode is not supported.\n\n" ); + exit( 1 ); + } + fprintf( stderr, "c" ); + if( alg == 'A' ) + { + imp_match_init_strict( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + if( rnakozo ) imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, NULL, NULL, NULL ); + pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + } + else if( alg == 'H' ) + { + imp_match_init_strictH( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + pscore = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL ); + } + else if( alg == 'Q' ) + { + imp_match_init_strictQ( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, NULL, NULL, NULL ); + pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL ); + } + else if( alg == 'R' ) + { + imp_match_init_strictR( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + pscore = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL ); + } + } + else if( force_fft || ( use_fft && ffttry ) ) + { + fprintf( stderr, "f" ); + if( alg == 'M' ) + { + fprintf( stderr, "m" ); + pscore = Falign_udpari_long( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1 ); + } + else + pscore = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); + } + else + { + fprintf( stderr, "d" ); + fftlog[m1] = 0; + switch( alg ) + { + case( 'a' ): + pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); + break; + case( 'M' ): + fprintf( stderr, "m" ); + pscore = MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + break; + case( 'A' ): + pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + break; + case( 'Q' ): + pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'R' ): + pscore = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'H' ): + pscore = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + default: + ErrorExit( "ERROR IN SOURCE FILE" ); + } + } + + nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); + +#if SCOREOUT + fprintf( stderr, "score = %10.2f\n", pscore ); +#endif + +/* + fprintf( stderr, "after align 1 %s \n", indication1 ); + display( mseq1, clus1 ); + fprintf( stderr, "\n" ); + fprintf( stderr, "after align 2 %s \n", indication2 ); + display( mseq2, clus2 ); + fprintf( stderr, "\n" ); +*/ + +// writePre( njob, name, nlen, localcopy, 0 ); + + if( disp ) display( localcopy, njob ); + + pthread_mutex_lock( targ->mutex ); + dep[l].done = 1; + (*nrunpt)--; + pthread_cond_broadcast( targ->treecond ); + +// pthread_mutex_unlock( targ->mutex ); +// pthread_mutex_lock( targ->mutex ); + + for( i=0; (j=topol[l][0][i])!=-1; i++ ) + strcpy( aseq[j], localcopy[j] ); + for( i=0; (j=topol[l][1][i])!=-1; i++ ) + strcpy( aseq[j], localcopy[j] ); + pthread_mutex_unlock( targ->mutex ); + + for( i=0; (j=topol[l][0][i])!=-1; i++ ) + free( localcopy[j] ); + for( i=0; (j=topol[l][1][i])!=-1; i++ ) + free( localcopy[j] ); + free( topol[l][0] ); + free( topol[l][1] ); + free( topol[l] ); + + } +} +#endif + +void treebase( int *nlen, char **aseq, int nadd, char *mergeoralign, char **mseq1, char **mseq2, int ***topol, double *effarr, int *alloclen, LocalHom **localhomtable, RNApair ***singlerna, double *effarr_kozo ) +{ + int i, l, m; + int len1nocommongap, len2nocommongap; + int len1, len2; + int clus1, clus2; + float pscore, tscore; + static char *indication1, *indication2; + static double *effarr1 = NULL; + static double *effarr2 = NULL; + static double *effarr1_kozo = NULL; + static double *effarr2_kozo = NULL; + static LocalHom ***localhomshrink = NULL; + static int *fftlog; + int m1, m2; + static int *gaplen; + static int *gapmap; + static int *alreadyaligned; + float dumfl = 0.0; + int ffttry; + RNApair ***grouprna1, ***grouprna2; + + if( rnakozo && rnaprediction == 'm' ) + { + grouprna1 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + grouprna2 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + } + else + { + grouprna1 = grouprna2 = NULL; + } + + if( effarr1 == NULL ) + { + fftlog = AllocateIntVec( njob ); + effarr1 = AllocateDoubleVec( njob ); + effarr2 = AllocateDoubleVec( njob ); + indication1 = AllocateCharVec( 150 ); + indication2 = AllocateCharVec( 150 ); + gaplen = AllocateIntVec( *alloclen+10 ); + gapmap = AllocateIntVec( *alloclen+10 ); + alreadyaligned = AllocateIntVec( njob ); +#if 0 +#else + if( constraint ) + { + localhomshrink = (LocalHom ***)calloc( njob, sizeof( LocalHom ** ) ); + for( i=0; i 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); + fprintf( stderr, "group2 = %.66s", indication2 ); + if( strlen( indication2 ) > 66 ) fprintf( stderr, "..." ); + fprintf( stderr, "\n" ); +#endif + + + +// for( i=0; i 30000 || len2 > 30000 ) ) ) + { + fprintf( stderr, "\nlen1=%d, len2=%d, Switching to the memsave mode.\n", len1, len2 ); + alg = 'M'; + if( commonIP ) FreeIntMtx( commonIP ); + commonAlloc1 = 0; + commonAlloc2 = 0; + } + + +// if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 ); + if( fftlog[m1] && fftlog[m2] ) ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 1000 && clus2 < 1000 ); + else ffttry = 0; +// ffttry = ( nlen[m1] > clus1 && nlen[m2] > clus2 && clus1 < 5000 && clus2 < 5000 ); // v6.708 +// fprintf( stderr, "f=%d, len1/fftlog[m1]=%f, clus1=%d, len2/fftlog[m2]=%f, clus2=%d\n", ffttry, (float)len1/fftlog[m1], clus1, (float)len2/fftlog[m2], clus2 ); +// fprintf( stderr, "f=%d, clus1=%d, fftlog[m1]=%d, clus2=%d, fftlog[m2]=%d\n", ffttry, clus1, fftlog[m1], clus2, fftlog[m2] ); + if( constraint == 2 ) + { + if( alg == 'M' ) + { + fprintf( stderr, "\n\nMemory saving mode is not supported.\n\n" ); + exit( 1 ); + } + fprintf( stderr, "c" ); + if( alg == 'A' ) + { + imp_match_init_strict( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + if( rnakozo ) imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, NULL, NULL, NULL ); + pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + } + else if( alg == 'H' ) + { + imp_match_init_strictH( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + pscore = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL ); + } + else if( alg == 'Q' ) + { + imp_match_init_strictQ( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, NULL, NULL, NULL ); + pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL ); + } + else if( alg == 'R' ) + { + imp_match_init_strictR( NULL, clus1, clus2, strlen( mseq1[0] ), strlen( mseq2[0] ), mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + pscore = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, localhomshrink, &dumfl, NULL, NULL, NULL, NULL ); + } + } + else if( force_fft || ( use_fft && ffttry ) ) + { + fprintf( stderr, "f" ); + if( alg == 'M' ) + { + fprintf( stderr, "m" ); + pscore = Falign_udpari_long( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1 ); + } + else + pscore = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, fftlog+m1, NULL, 0, NULL ); + } + else + { + fprintf( stderr, "d" ); + fftlog[m1] = 0; + switch( alg ) + { + case( 'a' ): + pscore = Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen ); + break; + case( 'M' ): + fprintf( stderr, "m" ); + pscore = MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + break; + case( 'A' ): + pscore = A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + break; + case( 'Q' ): + pscore = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'R' ): + pscore = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + case( 'H' ): + pscore = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, *alloclen, NULL, &dumfl, NULL, NULL, NULL, NULL ); + break; + default: + ErrorExit( "ERROR IN SOURCE FILE" ); + } + } + + nlen[m1] = 0.5 * ( nlen[m1] + nlen[m2] ); + +#if SCOREOUT + fprintf( stderr, "score = %10.2f\n", pscore ); +#endif + tscore += pscore; +/* + fprintf( stderr, "after align 1 %s \n", indication1 ); + display( mseq1, clus1 ); + fprintf( stderr, "\n" ); + fprintf( stderr, "after align 2 %s \n", indication2 ); + display( mseq2, clus2 ); + fprintf( stderr, "\n" ); +*/ + +// writePre( njob, name, nlen, aseq, 0 ); + + if( disp ) display( aseq, njob ); + + if( mergeoralign[l] == '1' ) // jissainiha nai. atarashii hairetsu ha saigo dakara. + { + adjustgapmap( strlen( mseq2[0] )-len2nocommongap+len2, gapmap, mseq2[0] ); + restorecommongaps( njob, aseq, topol[l][0], topol[l][1], gapmap, *alloclen ); + findnewgaps( clus2, mseq2, gaplen ); + insertnewgaps( njob, alreadyaligned, aseq, topol[l][1], topol[l][0], gaplen, gapmap, *alloclen, alg ); + for( i=0; i-1; i++ ) alreadyaligned[m] = 1; + } + if( mergeoralign[l] == '2' ) + { +// fprintf( stderr, ">mseq1[0] = \n%s\n", mseq1[0] ); +// fprintf( stderr, ">mseq2[0] = \n%s\n", mseq2[0] ); + adjustgapmap( strlen( mseq1[0] )-len1nocommongap+len1, gapmap, mseq1[0] ); + restorecommongaps( njob, aseq, topol[l][0], topol[l][1], gapmap, *alloclen ); + findnewgaps( clus1, mseq1, gaplen ); + insertnewgaps( njob, alreadyaligned, aseq, topol[l][0], topol[l][1], gaplen, gapmap, *alloclen, alg ); + for( i=0; i-1; i++ ) alreadyaligned[m] = 1; + } + + free( topol[l][0] ); + free( topol[l][1] ); + free( topol[l] ); + } +#if SCOREOUT + fprintf( stderr, "totalscore = %10.2f\n\n", tscore ); +#endif +} + +static void WriteOptions( FILE *fp ) +{ + + if( dorp == 'd' ) fprintf( fp, "DNA\n" ); + else + { + if ( scoremtx == 0 ) fprintf( fp, "JTT %dPAM\n", pamN ); + else if( scoremtx == 1 ) fprintf( fp, "BLOSUM %d\n", nblosum ); + else if( scoremtx == 2 ) fprintf( fp, "M-Y\n" ); + } + fprintf( stderr, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + if( use_fft ) fprintf( fp, "FFT on\n" ); + + fprintf( fp, "tree-base method\n" ); + if( tbrweight == 0 ) fprintf( fp, "unweighted\n" ); + else if( tbrweight == 3 ) fprintf( fp, "clustalw-like weighting\n" ); + if( tbitr || tbweight ) + { + fprintf( fp, "iterate at each step\n" ); + if( tbitr && tbrweight == 0 ) fprintf( fp, " unweighted\n" ); + if( tbitr && tbrweight == 3 ) fprintf( fp, " reversely weighted\n" ); + if( tbweight ) fprintf( fp, " weighted\n" ); + fprintf( fp, "\n" ); + } + + fprintf( fp, "Gap Penalty = %+5.2f, %+5.2f, %+5.2f\n", (double)ppenalty/1000, (double)ppenalty_ex/1000, (double)poffset/1000 ); + + if( alg == 'a' ) + fprintf( fp, "Algorithm A\n" ); + else if( alg == 'A' ) + fprintf( fp, "Algorithm A+\n" ); + else if( alg == 'C' ) + fprintf( fp, "Apgorithm A+/C\n" ); + else + fprintf( fp, "Unknown algorithm\n" ); + + if( treemethod == 'X' ) + fprintf( fp, "Tree = UPGMA (mix).\n" ); + else if( treemethod == 'E' ) + fprintf( fp, "Tree = UPGMA (average).\n" ); + else if( treemethod == 'q' ) + fprintf( fp, "Tree = Minimum linkage.\n" ); + else + fprintf( fp, "Unknown tree.\n" ); + + if( use_fft ) + { + fprintf( fp, "FFT on\n" ); + if( dorp == 'd' ) + fprintf( fp, "Basis : 4 nucleotides\n" ); + else + { + if( fftscore ) + fprintf( fp, "Basis : Polarity and Volume\n" ); + else + fprintf( fp, "Basis : 20 amino acids\n" ); + } + fprintf( fp, "Threshold of anchors = %d%%\n", fftThreshold ); + fprintf( fp, "window size of anchors = %dsites\n", fftWinSize ); + } + else + fprintf( fp, "FFT off\n" ); + fflush( fp ); +} + + +int main( int argc, char *argv[] ) +{ + static int *nlen; + static float *selfscore; + int nogaplen; + static char **name, **seq; + static char **mseq1, **mseq2; + static char **bseq; + static float **iscore, **iscore_kozo; + static double *eff, *eff_kozo, *eff_kozo_mapped = NULL; + int i, j, ien, ik, jk; + static int ***topol, ***topol_kozo; + static int *addmem; + static Treedep *dep; + static float **len, **len_kozo; + FILE *prep; + FILE *infp; + FILE *orderfp; + FILE *hat2p; + double unweightedspscore; + int alignmentlength; + char *mergeoralign; + int foundthebranch; + + char c; + int alloclen; + LocalHom **localhomtable = NULL; + RNApair ***singlerna; + float ssi, ssj, bunbo; + static char *kozoarivec; + int nkozo; + + arguments( argc, argv ); +#ifndef enablemultithread + nthread = 0; +#endif + + if( inputfile ) + { + infp = fopen( inputfile, "r" ); + if( !infp ) + { + fprintf( stderr, "Cannot open %s\n", inputfile ); + exit( 1 ); + } + } + else + infp = stdin; + + getnumlen( infp ); + rewind( infp ); + + + nkozo = 0; + + if( njob < 2 ) + { + fprintf( stderr, "At least 2 sequences should be input!\n" + "Only %d sequence found.\n", njob ); + exit( 1 ); + } + + seq = AllocateCharMtx( njob, nlenmax+1 ); + mseq1 = AllocateCharMtx( njob, 0 ); + mseq2 = AllocateCharMtx( njob, 0 ); + + name = AllocateCharMtx( njob, B+1 ); + nlen = AllocateIntVec( njob ); + selfscore = AllocateFloatVec( njob ); + + topol = AllocateIntCub( njob, 2, 0 ); + len = AllocateFloatMtx( njob, 2 ); + iscore = AllocateFloatHalfMtx( njob ); + eff = AllocateDoubleVec( njob ); + kozoarivec = AllocateCharVec( njob ); + + mergeoralign = AllocateCharVec( njob ); + + dep = (Treedep *)calloc( njob, sizeof( Treedep ) ); + if( nadd ) addmem = AllocateIntVec( nadd+1 ); + + if( constraint ) + { + localhomtable = (LocalHom **)calloc( njob, sizeof( LocalHom *) ); + for( i=0; i 0 ) + { + distancematrixthread_arg_t *targ; + Jobtable jobpos; + pthread_t *handle; + pthread_mutex_t mutex; + + jobpos.i = 0; + jobpos.j = 0; + + targ = calloc( nthread, sizeof( distancematrixthread_arg_t ) ); + handle = calloc( nthread, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex, NULL ); + + for( i=0; i 0 && nadd == 0 ) + { + treebasethread_arg_t *targ; + int jobpos; + pthread_t *handle; + pthread_mutex_t mutex; + pthread_cond_t treecond; + int *fftlog; + int nrun; + int nthread_yoyu; + + nthread_yoyu = nthread * 1; + nrun = 0; + jobpos = 0; + targ = calloc( nthread_yoyu, sizeof( treebasethread_arg_t ) ); + fftlog = AllocateIntVec( njob ); + handle = calloc( nthread_yoyu, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex, NULL ); + pthread_cond_init( &treecond, NULL ); + + for( i=0; inext ) + { + free( (void *)tmppt1 ); + tmppt1 = tmppt2; + } + free( (void *)tmppt1 ); + } + free( (void *)(localhomtable[i]+j) ); + } + free( (void *)localhomtable ); + } +#endif + + fprintf( trap_g, "done.\n" ); + fclose( trap_g ); + free( mergeoralign ); + + writeData_pointer( prep_g, njob, name, nlen, bseq ); +#if 0 + writeData( stdout, njob, name, nlen, bseq ); + writePre( njob, name, nlen, bseq, !contin ); + writeData_pointer( prep_g, njob, name, nlen, aseq ); +#endif +#if IODEBUG + fprintf( stderr, "OSHIMAI\n" ); +#endif + + if( constraint ) FreeLocalHomTable( localhomtable, njob ); + + SHOWVERSION; + return( 0 ); +} diff --git a/binaries/src/mafft/core/tddis.c b/binaries/src/mafft/core/tddis.c new file mode 100644 index 0000000..4742e78 --- /dev/null +++ b/binaries/src/mafft/core/tddis.c @@ -0,0 +1,940 @@ +#include "mltaln.h" + +#define DEBUG 0 + +#if 0 +void mdfymtx( char pair[njob][njob], int s1, double **partialmtx, double **mtx ) +#else +void mdfymtx( char **pair, int s1, double **partialmtx, double **mtx ) +#endif +{ + int i, j; + int icount, jcount; +#if DEBUG + FILE *fp; + static char name[M][B]; + + for( i=0; i len-2 ) break; + continue; + } + if( mseq2[k] == '-' ) + { + tmpscore += penalty; + while( mseq2[++k] == '-' ) + ; + k--; + if( k > len-2 ) break; + continue; + } + } + /* + if( mseq1[0] == '-' || mseq2[0] == '-' ) + { + for( k=0; k 3 ) code = 36; + else + code = code1; +#else + code1 = amino_n[(int)*seqpt]; + code2 = amino_n[(int)*seqrpt]; + if( code1 > 3 ) + { + code = 36; + } + else if( code2 > 3 ) + { + code = code1; + } + else if( *dirpt == '5' ) + { + code = 4 + code2 * 4 + code1; + } + else if( *dirpt == '3' ) + { + code = 20 + code2 * 4 + code1; + } + else // if( *dirpt == 'o' ) // nai + { + code = code1; + } +#endif + +// fprintf( stderr, "%c -> code=%d toa=%d, tog=%d, toc=%d, tot=%d, ton=%d, efee=%f\n", *seqpt, code%4, ribosumdis[code][4+0], ribosumdis[code][4+1], ribosumdis[code][4+2], ribosumdis[code][20+3], ribosumdis[code][36], feff ); + + seqpt++; + seqrpt++; + dirpt++; + + (*cpmxptpt++)[code] += feff; + } + } +} + +void mseqcat( char **seq1, char **seq2, double **eff, double *effarr1, double *effarr2, char name1[M][B], char name2[M][B], int clus1, int clus2 ) +{ + int i, j; + for( i=0; i 0.0 ) peff_kozo[m] += peff[m]; + } + } + else //iranai + { + for( m=0; m 0.0 ) + { + for( m=0; m 0.0 ) peff_kozo[m] += peff[m]; + } + } + else //iranai + { + for( m=0; m-1; j++ ) + if( s1 == topol[step][branch][0] ) value++; + for( j=0; (s2=topol[i][1][j])>-1; j++ ) + if( s2 == topol[step][branch][0] ) value++; + } + return( value ); +} + +void BranchLeafNode( int nseq, int ***topol, int *node, int step, int branch ) +{ + int i, j, k, s; + + for( i=0; i-1; j++ ) + node[s]++; + for( k=0; k-1; j++ ) + node[s]++; +} + +void RootLeafNode( int nseq, int ***topol, int *node ) +{ + int i, j, k, s; + for( i=0; i-1; j++ ) + node[s]++; +} + +void nodeFromABranch( int nseq, int *result, int **pairwisenode, int ***topol, double **len, int step, int num ) +{ + int i, s, count; + int *innergroup; + int *outergroup1; +#if 0 + int outergroup2[nseq]; + int table[nseq]; +#else + static int *outergroup2 = NULL; + static int *table = NULL; + if( outergroup2 == NULL ) + { + outergroup2 = AllocateIntVec( nseq ); + table = AllocateIntVec( nseq ); + } +#endif + innergroup = topol[step][num]; + outergroup1 = topol[step][!num]; + for( i=0; i-1; i++ ) table[s] = 0; + for( i=0; (s=outergroup1[i])>-1; i++ ) table[s] = 0; + for( i=0, count=0; i-1; i++ ) + { + result[s] = pairwisenode[s][outergroup1[0]] + + pairwisenode[s][outergroup2[0]] + - pairwisenode[outergroup1[0]][outergroup2[0]] - 1; + result[s] /= 2; + } + for( i=0; (s=outergroup1[i])>-1; i++ ) + { + result[s] = pairwisenode[s][outergroup2[0]] + + pairwisenode[s][innergroup[0]] + - pairwisenode[innergroup[0]][outergroup2[0]] + 1; + result[s] /= 2; + } + for( i=0; (s=outergroup2[i])>-1; i++ ) + { + result[s] = pairwisenode[s][outergroup1[0]] + + pairwisenode[s][innergroup[0]] + - pairwisenode[innergroup[0]][outergroup1[0]] + 1; + result[s] /= 2; + } + +#if 0 + for( i=0; i-1; i++ ) + pair[*s1][r1] = 1; + for( i=0; ithread_no; + int njob = targ->njob; + int nbranch = targ->nbranch; + int maxiter = targ->maxiter; + int *ndonept = targ->ndonept; + int *ntrypt = targ->ntrypt; + int *collectingpt = targ->collectingpt; + int *jobposintpt = targ->jobposintpt; + int nkozo = targ->nkozo; + float *gainlist = targ->gainlist; + float *tscorelist = targ->tscorelist; + int *generationofinput = targ->generationofinput; + int *subgenerationpt = targ->subgenerationpt; + float *basegainpt = targ->basegainpt; + char *kozoarivec = targ->kozoarivec; + char **mastercopy = targ->mastercopy; + char ***candidates = targ->candidates; + int *generationofmastercopypt = targ->generationofmastercopypt; + int *branchtable = targ->branchtable; + RNApair ***singlerna = targ->singlerna; + LocalHom **localhomtable = targ->localhomtable; + int alloclen = targ->alloclen; + Node * stopol = targ->stopol; + int ***topol = targ->topol; +// double **len = targ->len; + float **tscorehistory_detail = targ->tscorehistory_detail; + int *finishpt = targ->finishpt; + + int i, j, k, l, ii; + float gain; + int iterate; + char **pair; + int locnjob; + int s1, s2; + int clus1, clus2; + char **localcopy; + char **mseq1, **mseq2; + double *effarr, *effarr_kozo; // re-calc + double *effarr1, *effarr2, *effarr1_kozo, *effarr2_kozo; + char *indication1, *indication2; + int length; + RNApair ***grouprna1, ***grouprna2; + RNApair *rnapairboth; + LocalHom ***localhomshrink; + int *gapmap1, *gapmap2; + float tscore, mscore, oimpmatch, impmatch; + int identity; + double tmpdouble; + float naivescore0 = 0, naivescore1; + double *effarrforlocalhom; + float *tscorehistory; + int intdum; +#if 0 + int oscillating; + int lin, ldf; +#endif + float maxgain; + int bestthread; + int branchpos; + int subgenerationatfirst; + double unweightedspscore; + int myjob; + int converged2 = 0; + int chudanres; + + + locnjob = njob; + + if( utree == 0 ) + { + fprintf( stderr, "Dynamic tree is not supported in the multithread version.\n" ); + exit( 1 ); + } + if( score_check == 2 ) + { + fprintf( stderr, "Score_check 2 is not supported in the multithread version.\n" ); + exit( 1 ); + } + + if( weight == 2 ) + { + fprintf( stderr, "Weight 2 is not supported in the multithread version.\n" ); + exit( 1 ); + } + if( cooling && cut > 0.0 ) + { + fprintf( stderr, "Cooling is not supported in the multithread version.\n" ); + exit( 1 ); + } + + tscorehistory = calloc( maxiter, sizeof( float ) ); + + if( rnakozo && rnaprediction == 'm' ) + { + grouprna1 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + grouprna2 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + } + else + { + grouprna1 = grouprna2 = NULL; + } + + indication1 = AllocateCharVec( njob*3+50 ); + indication2 = AllocateCharVec( njob*3+50 ); + effarr = AllocateDoubleVec( locnjob ); + effarrforlocalhom = AllocateDoubleVec( locnjob ); + effarr1 = AllocateDoubleVec( locnjob ); + effarr2 = AllocateDoubleVec( locnjob ); + mseq1 = AllocateCharMtx( locnjob, 0 ); + mseq2 = AllocateCharMtx( locnjob, 0 ); + localcopy = AllocateCharMtx( locnjob, alloclen ); + gapmap1 = AllocateIntVec( alloclen ); + gapmap2 = AllocateIntVec( alloclen ); + + effarr1_kozo = AllocateDoubleVec( locnjob ); // tsuneni allocate suru. + effarr2_kozo = AllocateDoubleVec( locnjob ); // tsuneni allocate suru. + effarr_kozo = AllocateDoubleVec( locnjob ); + for( i=0; imutex ); + + if( *collectingpt == 1 ) + { + *collectingpt = 0; + *generationofmastercopypt = iterate; + *subgenerationpt = 0; + *basegainpt = 0.0; + *ndonept = 0; + *jobposintpt = 0; + for( i=0; icollection_end ); + pthread_mutex_unlock( targ->mutex ); + } + else + { + pthread_cond_broadcast( targ->collection_end ); + pthread_mutex_unlock( targ->mutex ); + freelocalarrays + ( + tscorehistory, + grouprna1, grouprna2, + rnapairboth, + indication1, indication2, + effarr, effarrforlocalhom, effarr1, effarr2, + mseq1, mseq2, + localcopy, + gapmap1, gapmap2, + effarr1_kozo, effarr2_kozo, effarr_kozo, + pair, + localhomshrink + ); +// return( NULL ); + pthread_exit( NULL ); + } + + pthread_mutex_lock( targ->mutex ); + while( *ndonept < nbranch ) + pthread_cond_wait( targ->collection_start, targ->mutex ); + pthread_mutex_unlock( targ->mutex ); +// fprintf( stderr, "Thread 0 got a signal, *collectionpt = %d\n", *collectingpt ); + +/* + Hoka no thread ga keisan +*/ + + pthread_mutex_lock( targ->mutex ); + *collectingpt = 1; // chofuku + +#if 0 + for( i=0; i maxgain ) + { + maxgain = gainlist[i]; + bestthread = i; + } + } + + if( maxgain > 0.0 ) + { +// fprintf( stderr, "\nGain = %f\n", maxgain ); +// fprintf( stderr, "best gain = %f by thread %d\n", gainlist[bestthread], bestthread ); +// fprintf( stderr, "tscorelist[best] = %f by thread %d\n", tscorelist[bestthread], bestthread ); + if( parallelizationstrategy == BESTFIRST ) + { + for( i=0; i0; i-- ) + { +// if( iterate-i < 15 ) fprintf( stderr, "hist[%d] = %f\n", i, tscorehistory[i] ); + if( tscorehistory[i] == tscorelist[bestthread] ) + { + fprintf( stderr, "\nOscillating? %f == %f\n", tscorehistory[i], tscorelist[bestthread] ); + *collectingpt = -1; + break; + } + } + tscorehistory[iterate] = tscorelist[bestthread]; +#endif + } + else + { + fprintf( stderr, "\nConverged.\n" ); + *collectingpt = -1; +// pthread_cond_broadcast( targ->collection_end ); +// pthread_mutex_unlock( targ->mutex ); +// freelocalarrays(); +// return( NULL ); +// pthread_exit( NULL ); + } + +#if 1 + if( *finishpt ) + { + fprintf( stderr, "\nConverged2.\n" ); + *collectingpt = -1; + } +#endif + + pthread_mutex_unlock( targ->mutex ); + } + pthread_mutex_lock( targ->mutex ); + fprintf( stderr, "\nReached %d\n", maxiter ); + *collectingpt = -1; + pthread_cond_broadcast( targ->collection_end ); + pthread_mutex_unlock( targ->mutex ); + freelocalarrays + ( + tscorehistory, + grouprna1, grouprna2, + rnapairboth, + indication1, indication2, + effarr, effarrforlocalhom, effarr1, effarr2, + mseq1, mseq2, + localcopy, + gapmap1, gapmap2, + effarr1_kozo, effarr2_kozo, effarr_kozo, + pair, + localhomshrink + ); + return( NULL ); + pthread_exit( NULL ); + } + else + { + while( 1 ) + { +#if 0 + if( iterate % 2 == 0 ) + { + lin = 0; ldf = +1; + } + else + { + lin = locnjob - 2; ldf = -1; + } + for( l=lin; l < locnjob-1 && l >= 0 ; l+=ldf ) + for( k=0; k<2; k++ ) +#endif + + pthread_mutex_lock( targ->mutex ); + while( *collectingpt > 0 ) + pthread_cond_wait( targ->collection_end, targ->mutex ); + if( *collectingpt == -1 ) + { + pthread_mutex_unlock( targ->mutex ); + freelocalarrays + ( + tscorehistory, + grouprna1, grouprna2, + rnapairboth, + indication1, indication2, + effarr, effarrforlocalhom, effarr1, effarr2, + mseq1, mseq2, + localcopy, + gapmap1, gapmap2, + effarr1_kozo, effarr2_kozo, effarr_kozo, + pair, + localhomshrink + ); + return( NULL ); + pthread_exit( NULL ); + } +// pthread_mutex_unlock( targ->mutex ); + + +// pthread_mutex_lock( targ->mutex ); + if( *jobposintpt == nbranch ) + { + if( *collectingpt != -1 ) *collectingpt = 1; // chofuku + pthread_mutex_unlock( targ->mutex ); + continue; + } +// fprintf( stderr, "JOB jobposintpt=%d\n", *jobposintpt ); + myjob = branchtable[*jobposintpt]; + l = myjob / 2; + if( l == locnjob-2 ) k = 1; + else k = myjob - l * 2; +// fprintf( stderr, "JOB l=%d, k=%d\n", l, k ); + branchpos = myjob; + (*jobposintpt)++; + iterate = *generationofmastercopypt; + (*ntrypt)++; + pthread_mutex_unlock( targ->mutex ); + + + +// fprintf( stderr, "branchpos = %d (thread %d)\n", branchpos, thread_no ); + +// fprintf( stderr, "iterate=%d, l=%d, k=%d (thread %d)\n", iterate, l, k, thread_no ); + +#if 0 + fprintf( stderr, "STEP %03d-%03d-%d (Thread %d) ", iterate+1, l+1, k, thread_no ); + fprintf( stderr, "STEP %03d-%03d-%d (thread %d) %s ", iterate+1, l+1, k, thread_no, use_fft?"\n":"\n" ); +#endif + for( i=0; imutex ); + for( i=0; imutex ); + length = strlen( localcopy[0] ); + + if( nkozo ) + { + double tmptmptmp; + tmptmptmp = 0.0; + clus1 = conjuctionfortbfast_kozo( &tmptmptmp, pair, s1, localcopy, mseq1, effarr1, effarr, effarr1_kozo, effarr_kozo, indication1 ); + for( i=0; i>> + oimpmatch = 0.0; + if( use_fft ) + { + if( alg == 'Q' ) + { + part_imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) part_imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + for( i=length-1; i>=0; i-- ) + { + oimpmatch += part_imp_match_out_scQ( i, i ); +// fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } + else + { + part_imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + if( rnakozo ) part_imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + for( i=length-1; i>=0; i-- ) + { + oimpmatch += part_imp_match_out_sc( i, i ); +// fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } +// fprintf( stderr, "otmpmatch = %f\n", oimpmatch ); + } + else + { + if( alg == 'Q' ) + { + imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + + for( i=length-1; i>=0; i-- ) + { + oimpmatch += imp_match_out_scQ( i, i ); +// fprintf( stderr, "#### i=%d, initial impmatch = %f\n", i, oimpmatch ); + } + } + else + { + imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + + fprintf( stderr, "not supported\n" ); + exit( 1 ); + + for( i=length-1; i>=0; i-- ) + { + oimpmatch += imp_match_out_sc( i, i ); +// fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } +// fprintf( stderr, "otmpmatch = %f\n", oimpmatch ); + } +// fprintf( stderr, "#### initial impmatch = %f\n", oimpmatch ); + } + else + { + oimpmatch = 0.0; + } + + +// fprintf( stderr, "#### tmpdouble = %f\n", tmpdouble ); + mscore = (double)oimpmatch + tmpdouble; + } + else + { + fprintf( stderr, "score_check = %d\n", score_check ); + fprintf( stderr, "Not supported\n" ); + exit( 1 ); + } + + +// if( rnakozo ) foldalignedrna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, rnapairboth ); + +// if( !use_fft && !rnakozo ) + if( !use_fft ) + { + commongappick_record( clus1, mseq1, gapmap1 ); + commongappick_record( clus2, mseq2, gapmap2 ); + } + +#if 0 + fprintf( stderr, "##### mscore = %f\n", mscore ); +#endif + +#if DEBUG + if( !devide ) + { + fprintf( trap_g, "\n%d-%d-%d\n", iterate+1, l+1, k ); + fprintf( trap_g, "group1 = %s\n", indication1 ); + fprintf( trap_g, "group2 = %s\n", indication2 ); + fflush( trap_g ); + } + +#endif +#if 0 + printf( "STEP %d-%d-%d\n", iterate, l, k ); + for( i=0; i%f\n", oimpmatch, impmatch ); + naivescore1 = naiveQpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + impmatch; + fprintf( stderr, "##### naivscore1 = %f\n", naivescore1 ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); +#if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { +// fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); +// rewind( stdout ); +// for( i=0; i\n%s\n", mseq1[i] ); +// for( i=0; i\n%s\n", mseq2[i] ); +// exit( 1 ); + } +#endif +#endif + } + else if( alg == 'R' ) + { + float wm; + imp_match_init_strictR( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); // Ichijiteki, gapmap ha mada + wm = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, localhomshrink, &impmatch, NULL, NULL, NULL, NULL ); +// fprintf( stderr, "##### impmatch = %f->%f\n", oimpmatch, impmatch ); + naivescore1 = naiveRpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + impmatch; +// fprintf( stderr, "##### naivscore1 = %f\n", naivescore1 ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: %f->%f UP!\n", clus1, clus2, naivescore0, naivescore1 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); +#if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { +// fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); + rewind( stdout ); + for( i=0; i\n%s\n", mseq1[i] ); + for( i=0; i\n%s\n", mseq2[i] ); + exit( 1 ); + } +#endif + } + else if( alg == 'H' ) + { + float wm; + imp_match_init_strictH( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); // Ichijiteki, gapmap ha mada + wm = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, localhomshrink, &impmatch, NULL, NULL, NULL, NULL ); + fprintf( stderr, "##### impmatch = %f->%f\n", oimpmatch, impmatch ); + naivescore1 = naivepairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + impmatch; + fprintf( stderr, "##### naivscore1 = %f\n", naivescore1 ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); +#if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { +// fprintf( stderr, "WARNING, totalwm=%f but naivescore=%f\n", totalwm, naivescore1 ); +// for( i=0; i\n%s\n", mseq1[i] ); +// for( i=0; i\n%s\n", mseq2[i] ); +// exit( 1 ); + } +#endif + } + else + { +// imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + A__align_gapmap( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, localhomshrink, &impmatch, gapmap1, gapmap2 ); + fprintf( stderr, "A__align_gapmap\n" ); +// fprintf( stderr, "##### impmatch = %f\n", impmatch ); + } + } + } + else if( use_fft ) + { + float totalwm; + chudanres = 0; + totalwm = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, &intdum, subgenerationpt, subgenerationatfirst, &chudanres ); + if( chudanres && parallelizationstrategy == BAATARI2 ) + { +// fprintf( stderr, "#### yarinaoshi!!! FFT-NS-i\n" ); + goto yarinaoshi; + } + +// fprintf( stderr, "totalwm = %f\n", totalwm ); +#if 0 + if( alg == 'Q' ) + { + fprintf( stderr, "totalwm = %f\n", totalwm ); + naivescore1 = naiveQpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); +#if 1 // chuui + if( totalwm != 0.0 && abs( totalwm - naivescore1 ) > 100 ) + { +// fprintf( stderr, "WARNING, totalwm=%f but naivescore=%f\n", totalwm, naivescore1 ); +// for( i=0; i\n%s\n", mseq1[i] ); +// for( i=0; i\n%s\n", mseq2[i] ); +// exit( 1 ); + } +#endif + } +#endif + if( alg == 'R' ) + { + fprintf( stderr, "totalwm = %f\n", totalwm ); + naivescore1 = naiveRpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); +#if 1 // chuui + if( totalwm != 0.0 && abs( totalwm - naivescore1 ) > 100 ) + { +// fprintf( stderr, "WARNING, totalwm=%f but naivescore=%f\n", totalwm, naivescore1 ); +// for( i=0; i\n%s\n", mseq1[i] ); +// for( i=0; i\n%s\n", mseq2[i] ); +// exit( 1 ); + } + } +#endif + } + else + { + if( alg == 'M' ) + { + chudanres = 0; + MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, NULL, NULL, NULL, subgenerationpt, subgenerationatfirst, &chudanres, outgap, outgap ); + if( chudanres && parallelizationstrategy == BAATARI2 ) + { +// fprintf( stderr, "#### yarinaoshi!!! NW-NS-i\n" ); + goto yarinaoshi; + } + } + else if( alg == 'A' ) + { + A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL, NULL, 0, NULL, 1, 1 ); //outgap==1 + } + else if( alg == 'Q' ) + { + float wm; + wm = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL ); + fprintf( stderr, "wm = %f\n", wm ); + fprintf( stderr, "impmatch = %f\n", impmatch ); + naivescore1 = naiveQpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN!\n", clus1, clus2 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); +#if 1 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { +// fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); +// rewind( stderr ); +// rewind( stdout ); +// for( i=0; i\n%s\n", mseq1[i] ); +// for( i=0; i\n%s\n", mseq2[i] ); +// exit( 1 ); + } +#endif + } + else if( alg == 'R' ) + { + float wm; + wm = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL ); + naivescore1 = naiveRpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); +#if 1 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { +// fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); +// rewind( stderr ); +// rewind( stdout ); +// for( i=0; i\n%s\n", mseq1[i] ); +// for( i=0; i\n%s\n", mseq2[i] ); +// exit( 1 ); + } +#endif + } + else if( alg == 'H' ) + { + float wm; + wm = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL ); + naivescore1 = naivepairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + { + fprintf( stderr, "%d-%d, ns: DOWN!\n", clus1, clus2 ); + } + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + +#if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { + rewind( stdout ); + for( i=0; i\n%s\n", mseq1[i] ); + for( i=0; i\n%s\n", mseq2[i] ); + exit( 1 ); + } +#endif + } + else if( alg == 'a' ) + { + Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen ); + } + else ErrorExit( "Sorry!" ); + } +// fprintf( stderr, "## impmatch = %f\n", impmatch ); + +#if 1 + if( parallelizationstrategy == BAATARI2 && *subgenerationpt != subgenerationatfirst ) + { +// fprintf( stderr, "\nYarinaoshi2!! (Thread %d)\n", thread_no ); + goto yarinaoshi; + } +#endif + + identity = !strcmp( localcopy[s1], mastercopy[s1] ); + identity *= !strcmp( localcopy[s2], mastercopy[s2] ); + + +/* Bug? : idnetitcal but score change when scoreing mtx != JTT */ + + length = strlen( mseq1[0] ); + + if( identity ) + { + tscore = mscore; +// if( !devide ) fprintf( trap_g, "tscore = %f identical.\n", tscore ); +// fprintf( stderr, " identical." ); + fprintf( stderr, "%03d-%04d-%d (thread %4d) identical \r", iterate+1, *ndonept, k, thread_no ); + } + else + { + if( score_check ) + { + if( constraint == 2 ) + { +#if 1 + if( RNAscoremtx == 'r' ) + intergroup_score_gapnomi( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); + else + intergroup_score( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); +#else + intergroup_score( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); +#endif + + tscore = impmatch + tmpdouble; + +// fprintf( stderr, "tmpdouble=%f, impmatch = %f -> %f, tscore = %f\n", tmpdouble, oimpmatch, impmatch, tscore ); + } + else + { + intergroup_score( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); + tscore = tmpdouble; + } +// fprintf( stderr, "#######ii=%d, iterate=%d score = %f -> %f \n", ii, iterate , mscore, tscore ); + #if 0 + for( i=0; i<1; i++ ) + fprintf( stderr, "%s\n", mseq1[i] ); + fprintf( stderr, "+++++++\n" ); + for( i=0; i<1; i++ ) + fprintf( stderr, "%s\n", mseq2[i] ); + #endif + + } + else + { + tscore = mscore + 1.0; +// tscore = 0.0; +// fprintf( stderr, "in line 705, tscore=%f\n", tscore ); +// for( i=0; i 0 ) + { + if( parallelizationstrategy == BESTFIRST ) + { + if( gain > gainlist[thread_no] ) + { + gainlist[thread_no] = gain; + for( i=0; imutex ); + for( i=0; imutex ); + tscorelist[thread_no] = tscore; + } +#if 0 + fprintf( stderr, "tscore = %f mscore = %f accepted.\n", tscore, mscore ); + fprintf( stderr, "\nbetter! gain = %f (thread %d)\r", gain, thread_no ); +#else + fprintf( stderr, "%03d-%04d-%d (thread %4d) better \r", iterate+1, *ndonept, k, thread_no ); +#endif + + } + else + { +#if 0 + fprintf( stderr, "tscore = %f mscore = %f rejected.\r", tscore, mscore ); + fprintf( stderr, "worse! gain = %f", gain ); +#else + fprintf( stderr, "%03d-%04d-%d (thread %4d) worse \r", iterate+1, *ndonept, k, thread_no ); +#endif + tscore = mscore; + } + } + converged2 = 0; + for( ii=iterate-2; ii>=0; ii-=1 ) + { +// fprintf( stderr, "Checking tscorehistory %f ?= %f\n", tscore, tscorehistory_detail[ii][branchpos] ); + if( tscore == tscorehistory_detail[ii][branchpos] ) + { + converged2 = 1; + break; + } + } + if( parallelizationstrategy != BESTFIRST && converged2 ) + { +// fprintf( stderr, "\nFINISH!\n" ); + pthread_mutex_lock( targ->mutex ); + *finishpt = 1; + pthread_mutex_unlock( targ->mutex ); + } + + tscorehistory_detail[iterate][branchpos] = tscore; + fprintf( stderr, "\r" ); + + pthread_mutex_lock( targ->mutex ); + (*ndonept)++; +// fprintf( stderr, "*ndonept = %d, nbranch = %d (thread %d) iterate=%d\n", *ndonept, nbranch, thread_no, iterate ); + generationofinput[branchpos] = iterate; + if( *ndonept == nbranch ) + { + if( *collectingpt != -1 ) *collectingpt = 1; // chofuku +// fprintf( stderr, "Thread %d sends a signal, *ndonept = %d\n", thread_no, *ndonept ); + pthread_cond_signal( targ->collection_start ); + } + pthread_mutex_unlock( targ->mutex ); + } /* while( 1 ) */ + + } /* for( iterate ) */ +// return( NULL ); +} +#endif + + +int TreeDependentIteration( int locnjob, char **name, int nlen[M], + char **aseq, char **bseq, int ***topol, double **len, + int alloclen, LocalHom **localhomtable, + RNApair ***singlerna, + int nkozo, char *kozoarivec ) +{ + int i, j, k, l, iterate, ii, iu, ju; + int lin, ldf, length; + int clus1, clus2; + int s1, s2; + static double **imanoten; + static Node *stopol; + static double *effarrforlocalhom = NULL; + static double *effarr = NULL; + static double *effarr1 = NULL; + static double *effarr2 = NULL; + static double *effarr_kozo = NULL; + static double *effarr1_kozo = NULL; + static double *effarr2_kozo = NULL; + static double **mtx = NULL; + static int **node = NULL; + static int *branchnode = NULL; + static double **branchWeight = NULL; + static char **mseq1, **mseq2; + static float ***history; + FILE *trap; + double tscore, mscore; + int identity; + int converged; + int oscillating; + float naivescore0 = 0.0; // by D.Mathog, a guess + float naivescore1; +#if 0 + char pair[njob][njob]; +#else + static char **pair; +#endif +#if DEBUG + RECORD + double score_for_check0, score_for_check1; + static double **effmtx = NULL; + extern double score_calc0(); +#endif + static char *indication1, *indication2; + static LocalHom ***localhomshrink = NULL; + float impmatch = 0.0, oimpmatch = 0.0; + static int *gapmap1; + static int *gapmap2; + double tmpdouble; + int intdum; + static RNApair *rnapairboth; + RNApair ***grouprna1, ***grouprna2; + double unweightedspscore; + + if( rnakozo && rnaprediction == 'm' ) + { + grouprna1 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + grouprna2 = (RNApair ***)calloc( njob, sizeof( RNApair ** ) ); + } + else + { + grouprna1 = grouprna2 = NULL; + } + + Writeoptions( trap_g ); + fflush( trap_g ); + + if( effarr == NULL ) /* locnjob == njob ni kagiru */ + { + indication1 = AllocateCharVec( njob*3+50 ); + indication2 = AllocateCharVec( njob*3+50 ); + effarr = AllocateDoubleVec( locnjob ); + effarrforlocalhom = AllocateDoubleVec( locnjob ); + effarr1 = AllocateDoubleVec( locnjob ); + effarr2 = AllocateDoubleVec( locnjob ); + mseq1 = AllocateCharMtx( locnjob, 0 ); + mseq2 = AllocateCharMtx( locnjob, 0 ); + mtx = AllocateDoubleMtx( locnjob, locnjob ); + node = AllocateIntMtx( locnjob, locnjob ); + branchnode = AllocateIntVec( locnjob ); + branchWeight = AllocateDoubleMtx( locnjob, 2 ); + history = AllocateFloatCub( niter, locnjob, 2 ); + stopol = (Node *)calloc( locnjob * 2, sizeof( Node ) ); + gapmap1 = AllocateIntVec( alloclen ); + gapmap2 = AllocateIntVec( alloclen ); + if( score_check == 2 ) imanoten = AllocateDoubleMtx( njob, njob ); + + effarr1_kozo = AllocateDoubleVec( locnjob ); // tsuneni allocate suru. + effarr2_kozo = AllocateDoubleVec( locnjob ); // tsuneni allocate suru. + effarr_kozo = AllocateDoubleVec( locnjob ); + for( i=0; i 0 ) + { + threadarg_t *targ; + pthread_t *handle; + pthread_mutex_t mutex; + pthread_cond_t collection_end; + pthread_cond_t collection_start; + int jobposint; + int generationofmastercopy; + int subgeneration; + float basegain; + int *generationofinput; + float *gainlist; + float *tscorelist; + int ndone; + int ntry; + int collecting; + int nbranch; + int maxiter; + char ***candidates; + int *branchtable; + float **tscorehistory_detail; + int finish; + + nwa = nthread + 1; + nbranch = (njob-1) * 2 - 1; + maxiter = niter; + + targ = calloc( nwa, sizeof( threadarg_t ) ); + handle = calloc( nwa, sizeof( pthread_t ) ); + pthread_mutex_init( &mutex, NULL ); + pthread_cond_init( &collection_end, NULL ); + pthread_cond_init( &collection_start, NULL ); + + gainlist = calloc( nwa, sizeof( float ) ); + tscorelist = calloc( nwa, sizeof( float ) ); + branchtable = calloc( nbranch, sizeof( int ) ); + generationofinput = calloc( nbranch, sizeof( int ) ); + if( parallelizationstrategy == BESTFIRST ) + candidates = AllocateCharCub( nwa, locnjob, alloclen ); + for( i=0; i= 0 ; l+=ldf ) + { + + + for( k=0; k<2; k++ ) + { + if( l == locnjob-2 ) k = 1; +#else + + for( jobpos=0; jobpos=0; i-- ) oimpmatch += part_imp_match_out_scQ( i, i ); + } + else + { + part_imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + if( rnakozo ) part_imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + for( i=length-1; i>=0; i-- ) oimpmatch += part_imp_match_out_sc( i, i ); + } + } + else + { + if( alg == 'Q' ) + { + imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + for( i=length-1; i>=0; i-- ) oimpmatch += imp_match_out_scQ( i, i ); + } + else + { + imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + fprintf( stderr, "not supported\n" ); + exit( 1 ); + } + } + // fprintf( stderr, "### oimpmatch = %f\n", oimpmatch ); + } + else + { + oimpmatch = 0.0; + } + tmpdouble = 0.0; + iu=0; + for( i=s1; i>> + oimpmatch = 0.0; + if( use_fft ) + { + if( alg == 'Q' ) + { + part_imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) part_imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + for( i=length-1; i>=0; i-- ) + { + oimpmatch += part_imp_match_out_scQ( i, i ); + // fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } + else + { + part_imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + if( rnakozo ) part_imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + for( i=length-1; i>=0; i-- ) + { + oimpmatch += part_imp_match_out_sc( i, i ); + // fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } + // fprintf( stderr, "otmpmatch = %f\n", oimpmatch ); + } + else + { + if( alg == 'Q' ) + { + imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + + for( i=length-1; i>=0; i-- ) + { + oimpmatch += imp_match_out_scQ( i, i ); + // fprintf( stderr, "#### i=%d, initial impmatch = %f\n", i, oimpmatch ); + } + } + else + { + imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + + fprintf( stderr, "not supported\n" ); + exit( 1 ); + + for( i=length-1; i>=0; i-- ) + { + oimpmatch += imp_match_out_sc( i, i ); + // fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } + // fprintf( stderr, "otmpmatch = %f\n", oimpmatch ); + } + // fprintf( stderr, "#### initial impmatch = %f\n", oimpmatch ); + } + else + { + oimpmatch = 0.0; + } + + + // fprintf( stderr, "#### tmpdouble = %f\n", tmpdouble ); + mscore = (double)oimpmatch + tmpdouble; + } + else + { + // fprintf( stderr, "score_check = %d\n", score_check ); + /* atode kousokuka */ + intergroup_score( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); + mscore = tmpdouble; + /* atode kousokuka */ + + if( constraint ) + { + oimpmatch = 0.0; + shrinklocalhom( pair, s1, s2, localhomtable, localhomshrink ); + if( use_fft ) + { + if( alg == 'Q' ) + { + part_imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) part_imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + } + else + { + part_imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + if( rnakozo ) part_imp_rna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + } + } + else + { + if( alg == 'Q' ) + { + imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + if( rnakozo ) imp_rnaQ( clus1, clus2, mseq1, mseq2, effarr1, effarr2, grouprna1, grouprna2, gapmap1, gapmap2, NULL ); + } + else + { + imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + fprintf( stderr, "Not supported\n" ); + exit( 1 ); + } + } + } + } + + // oimpmatch = 0.0; + if( constraint ) + { + #if 0 // iranai + if( alg == 'Q' ) + { + imp_match_init_strictQ( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); + for( i=length-1; i>=0; i-- ) + { + oimpmatch += imp_match_out_scQ( i, i ); + // fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } + else + { + imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + for( i=length-1; i>=0; i-- ) + { + oimpmatch += imp_match_out_sc( i, i ); + // fprintf( stderr, "#### i=%d, initial impmatch = %f seq1 = %c, seq2 = %c\n", i, oimpmatch, mseq1[0][i], mseq2[0][i] ); + } + } + #endif + } + #if 0 + if( alg == 'H' ) + naivescore0 = naivepairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + oimpmatch; + else if( alg == 'Q' ) + naivescore0 = naiveQpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + oimpmatch; + else if( alg == 'R' ) + naivescore0 = naiveRpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + oimpmatch; + #endif + + // if( rnakozo ) foldalignedrna( clus1, clus2, mseq1, mseq2, effarr1, effarr2, rnapairboth ); + + // if( !use_fft && !rnakozo ) + if( !use_fft ) + { + commongappick_record( clus1, mseq1, gapmap1 ); + commongappick_record( clus2, mseq2, gapmap2 ); + } + + #if 0 + fprintf( stderr, "##### mscore = %f\n", mscore ); + #endif + + #if DEBUG + if( !devide ) + { + fprintf( trap_g, "\nSTEP%d-%d-%d\n", iterate+1, l+1, k ); + fprintf( trap_g, "group1 = %s\n", indication1 ); + fprintf( trap_g, "group2 = %s\n", indication2 ); + fflush( trap_g ); + } + + #endif + #if 0 + printf( "STEP %d-%d-%d\n", iterate, l, k ); + for( i=0; i%f\n", oimpmatch, impmatch ); + naivescore1 = naiveQpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + impmatch; + fprintf( stderr, "##### naivscore1 = %f\n", naivescore1 ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + #if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { + // fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); + // rewind( stdout ); + // for( i=0; i\n%s\n", mseq1[i] ); + // for( i=0; i\n%s\n", mseq2[i] ); + // exit( 1 ); + } + #endif + #endif + } + else if( alg == 'R' ) + { + float wm; + imp_match_init_strictR( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); // Ichijiteki, gapmap ha mada + wm = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, localhomshrink, &impmatch, NULL, NULL, NULL, NULL ); + // fprintf( stderr, "##### impmatch = %f->%f\n", oimpmatch, impmatch ); + naivescore1 = naiveRpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + impmatch; + // fprintf( stderr, "##### naivscore1 = %f\n", naivescore1 ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: %f->%f UP!\n", clus1, clus2, naivescore0, naivescore1 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + #if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { + // fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); + rewind( stdout ); + for( i=0; i\n%s\n", mseq1[i] ); + for( i=0; i\n%s\n", mseq2[i] ); + exit( 1 ); + } + #endif + } + else if( alg == 'H' ) + { + float wm; + imp_match_init_strictH( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, localhomshrink, 1 ); // Ichijiteki, gapmap ha mada + wm = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, localhomshrink, &impmatch, NULL, NULL, NULL, NULL ); + fprintf( stderr, "##### impmatch = %f->%f\n", oimpmatch, impmatch ); + naivescore1 = naivepairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ) + impmatch; + fprintf( stderr, "##### naivscore1 = %f\n", naivescore1 ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + #if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { + // fprintf( stderr, "WARNING, totalwm=%f but naivescore=%f\n", totalwm, naivescore1 ); + // for( i=0; i\n%s\n", mseq1[i] ); + // for( i=0; i\n%s\n", mseq2[i] ); + // exit( 1 ); + } + #endif + } + else + { + // imp_match_init_strict( NULL, clus1, clus2, length, length, mseq1, mseq2, effarr1, effarr2, effarr1_kozo, effarr2_kozo, localhomshrink, 1 ); + A__align_gapmap( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, localhomshrink, &impmatch, gapmap1, gapmap2 ); + // fprintf( stderr, "##### impmatch = %f\n", impmatch ); + } + } + } + else if( use_fft ) + { + float totalwm; + totalwm = Falign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, &intdum, NULL, 0, NULL ); + + // fprintf( stderr, "totalwm = %f\n", totalwm ); + #if 0 + if( alg == 'Q' ) + { + fprintf( stderr, "totalwm = %f\n", totalwm ); + naivescore1 = naiveQpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + #if 1 // chuui + if( totalwm != 0.0 && abs( totalwm - naivescore1 ) > 100 ) + { + // fprintf( stderr, "WARNING, totalwm=%f but naivescore=%f\n", totalwm, naivescore1 ); + // for( i=0; i\n%s\n", mseq1[i] ); + // for( i=0; i\n%s\n", mseq2[i] ); + // exit( 1 ); + } + #endif + } + #endif + if( alg == 'R' ) + { + fprintf( stderr, "totalwm = %f\n", totalwm ); + naivescore1 = naiveRpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + #if 1 // chuui + if( totalwm != 0.0 && abs( totalwm - naivescore1 ) > 100 ) + { + // fprintf( stderr, "WARNING, totalwm=%f but naivescore=%f\n", totalwm, naivescore1 ); + // for( i=0; i\n%s\n", mseq1[i] ); + // for( i=0; i\n%s\n", mseq2[i] ); + // exit( 1 ); + } + } + #endif + } + else + { + if( alg == 'M' ) + { + MSalignmm( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, NULL, NULL, NULL, NULL, 0, NULL, outgap, outgap ); + } + else if( alg == 'A' ) + { + A__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL, NULL, 0, NULL, 1, 1 ); // outgap==1 + } + else if( alg == 'Q' ) + { + float wm; + wm = Q__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL ); + fprintf( stderr, "wm = %f\n", wm ); + fprintf( stderr, "impmatch = %f\n", impmatch ); + naivescore1 = naiveQpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN!\n", clus1, clus2 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + #if 1 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { + // fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); + // rewind( stderr ); + // rewind( stdout ); + // for( i=0; i\n%s\n", mseq1[i] ); + // for( i=0; i\n%s\n", mseq2[i] ); + // exit( 1 ); + } + #endif + } + else if( alg == 'R' ) + { + float wm; + wm = R__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL ); + naivescore1 = naiveRpairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + fprintf( stderr, "%d-%d, ns: DOWN! %f->%f\n", clus1, clus2, naivescore0, naivescore1 ); + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + #if 1 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { + // fprintf( stderr, "WARNING, wm=%f but naivescore=%f\n", wm, naivescore1 ); + // rewind( stderr ); + // rewind( stdout ); + // for( i=0; i\n%s\n", mseq1[i] ); + // for( i=0; i\n%s\n", mseq2[i] ); + // exit( 1 ); + } + #endif + } + else if( alg == 'H' ) + { + float wm; + wm = H__align( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen, NULL, &impmatch, NULL, NULL, NULL, NULL ); + naivescore1 = naivepairscore( clus1, clus2, mseq1, mseq2, effarr1, effarr2, penalty ); + + if( naivescore1 > naivescore0 ) + fprintf( stderr, "%d-%d, ns: UP!\n", clus1, clus2 ); + else if( naivescore1 < naivescore0 ) + { + fprintf( stderr, "%d-%d, ns: DOWN!\n", clus1, clus2 ); + } + else + fprintf( stderr, "%d-%d, ns: IDENTICAL\n", clus1, clus2 ); + + #if 0 // chuui + if( abs( wm - naivescore1 ) > 100 ) + { + rewind( stdout ); + for( i=0; i\n%s\n", mseq1[i] ); + for( i=0; i\n%s\n", mseq2[i] ); + exit( 1 ); + } + #endif + } + else if( alg == 'a' ) + { + Aalign( mseq1, mseq2, effarr1, effarr2, clus1, clus2, alloclen ); + } + else ErrorExit( "Sorry!" ); + } + // fprintf( stderr, "## impmatch = %f\n", impmatch ); + + if( checkC ) + { + extern double DSPscore(); + extern double SSPscore(); + static double cur; + static double pre; + + /* + pre = SSPscore( locnjob, bseq ); + cur = SSPscore( locnjob, aseq ); + */ + pre = DSPscore( locnjob, bseq ); + cur = DSPscore( locnjob, aseq ); + + fprintf( stderr, "Previous Sscore = %f\n", pre ); + fprintf( stderr, "Currnet Sscore = %f\n\n", cur ); + } + + // fprintf( stderr, "## impmatch = %f\n", impmatch ); + identity = !strcmp( aseq[s1], bseq[s1] ); + identity *= !strcmp( aseq[s2], bseq[s2] ); + + + /* Bug? : idnetitcal but score change when scoreing mtx != JTT */ + + length = strlen( mseq1[0] ); + + if( identity ) + { + tscore = mscore; + if( !devide ) fprintf( trap_g, "tscore = %f identical.\n", tscore ); + fprintf( stderr, " identical." ); + converged++; + } + else + { + if( score_check ) + { + if( constraint == 2 ) + { + #if 1 + if( RNAscoremtx == 'r' ) + intergroup_score_gapnomi( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); + else + intergroup_score( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); + #else + intergroup_score( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); + #endif + + tscore = impmatch + tmpdouble; + + // fprintf( stderr, "tmpdouble=%f, impmatch = %f -> %f, tscore = %f\n", tmpdouble, oimpmatch, impmatch, tscore ); + } + else + { + intergroup_score( mseq1, mseq2, effarr1, effarr2, clus1, clus2, length, &tmpdouble ); + tscore = tmpdouble; + } + // fprintf( stderr, "#######ii=%d, iterate=%d score = %f -> %f \n", ii, iterate , mscore, tscore ); + #if 0 + for( i=0; i<1; i++ ) + fprintf( stderr, "%s\n", mseq1[i] ); + fprintf( stderr, "+++++++\n" ); + for( i=0; i<1; i++ ) + fprintf( stderr, "%s\n", mseq2[i] ); + #endif + + } + else + { + tscore = mscore + 1.0; + // tscore = 0.0; + // fprintf( stderr, "in line 705, tscore=%f\n", tscore ); + // for( i=0; i mscore - cut/100.0*mscore ) + { + writePre( locnjob, name, nlen, aseq, 0 ); + for( i=0; i= locnjob * 2 ) + { + fprintf( trap_g, "Converged.\n\n" ); + fprintf( stderr, "\nConverged.\n\n" ); + if( scoreout ) + { + unweightedspscore = plainscore( njob, bseq ); + fprintf( stderr, "\nSCORE %d = %.0f, ", iterate * ( (njob-1)*2-1 ), unweightedspscore ); + fprintf( stderr, "SCORE / residue = %f", unweightedspscore / ( njob * strlen( bseq[0] ) ) ); + if( weight || constraint ) fprintf( stderr, " (differs from the objective score)" ); + fprintf( stderr, "\n\n" ); + } + return( 0 ); + } + if( iterate >= 1 ) + { + /* oscillation check */ + oscillating = 0; + for( ii=iterate-2; ii>=0; ii-=2 ) + { + if( (float)tscore == history[ii][l][k] ) + { + oscillating = 1; + break; + } + } + if( ( oscillating && !cooling ) || ( oscillating && cut < 0.001 && cooling ) ) + { + fprintf( trap_g, "Oscillating.\n" ); + fprintf( stderr, "\nOscillating.\n\n" ); + if( scoreout ) + { + unweightedspscore = plainscore( njob, bseq ); + fprintf( stderr, "\nSCORE %d = %.0f, ", iterate * ( (njob-1)*2-1 ), unweightedspscore ); + fprintf( stderr, "SCORE / residue = %f", unweightedspscore / ( njob * strlen( bseq[0] ) ) ); + if( weight || constraint ) fprintf( stderr, " (differs from the objective score)" ); + fprintf( stderr, "\n\n" ); + } + #if 1 /* hujuubun */ + return( -1 ); + #endif + } + } /* if( iterate ) */ + } /* for( k ) */ + } /* for( l ) */ + if( scoreout ) + { + unweightedspscore = plainscore( njob, bseq ); + fprintf( stderr, "\nSCORE %d = %.0f, ", iterate * ( (njob-1)*2-1 ), unweightedspscore ); + fprintf( stderr, "SCORE / residue = %f", unweightedspscore / ( njob * strlen( bseq[0] ) ) ); + if( weight || constraint ) fprintf( stderr, " (differs from the objective score)" ); + fprintf( stderr, "\n\n" ); + } + } /* for( iterate ) */ + } + return( 2 ); +} /* int Tree... */ diff --git a/binaries/src/mafft/core/test.c b/binaries/src/mafft/core/test.c new file mode 100644 index 0000000..5b9ae6d --- /dev/null +++ b/binaries/src/mafft/core/test.c @@ -0,0 +1,7 @@ +#include +#include +main() +{ + fprintf( stdout, "nprocess = %d\n", sysconf( _SC_NPROCESSORS_ONLN ) ); + fprintf( stdout, "nprocess = %d\n", sysconf( _SC_NPROCESSORS_CONF ) ); +} diff --git a/binaries/src/mafft/core/treeOperation.c b/binaries/src/mafft/core/treeOperation.c new file mode 100644 index 0000000..2738fc1 --- /dev/null +++ b/binaries/src/mafft/core/treeOperation.c @@ -0,0 +1,658 @@ +#include "mltaln.h" + +#define DEBUG 0 + +#define EF_THREEWAY 1.0 +#define MAXBW 1.0 +#define MINBW 0.01 + +#define MINLEN 0.001 + +#if DEBUG +Node *stopol_g; +#endif + + +void checkMinusLength( int nseq, double **len ) +{ + int i, j; + for( i=0; i= 0 ) + { + free( tmpintvec[numintvec] ); + } + free( tmpintvec ); + numintvec = 0; +#endif +} + +void treeCnv( Node *stopol, int locnseq, int ***topol, double **len, double **bw ) +{ + int i; + NodeInCub parent; + int *count; + int ccount; + int rep; + int tmpint; + static int **tmpintvec = NULL; + static int numintvec = 0; + + count = AllocateIntVec( 2 * locnseq ); /* oome */ + if( !count ) ErrorExit( "Cannot allocate count.\n" ); + + checkMinusLength( locnseq, len ); /* uwagaki */ + + stopolInit( locnseq * 2, stopol ); + for( i=0; ilength[0] ); + } + + for( i=0, count=0; i<3; i++ ) + { +#if DEBUG + fprintf( stderr, "ob->tmpChildren[%d] = %d\n", i, ob->tmpChildren[i] ); +#endif + if( oppositeNode != ob->children[i] ) dir_ch[count++] = i; + else dir_pa = i; + } +#if DEBUG + fprintf( stderr, "\n" ); +#endif + if( count != 2 ) + { +#if DEBUG + fprintf( stderr, "Node No.%d has no child like No.%d \n", ob-stopol_g, oppositeNode-stopol_g ); +#endif + ErrorExit( "Invalid call\n" ); + } + + tmpvalue0 = syntheticLength( ob->children[dir_ch[0]], ob ); + tmpvalue1 = syntheticLength( ob->children[dir_ch[1]], ob ); + +#if DEBUG + fprintf( stderr, "tmpvalue0 = %f\n", tmpvalue0 ); + fprintf( stderr, "tmpvalue1 = %f\n", tmpvalue1 ); +#endif + if( tmpvalue0 ) tmpvalue0 = 1.0 / tmpvalue0; + else nanflag = 1; + if( tmpvalue1 ) tmpvalue1 = 1.0 / tmpvalue1; + else nanflag = 1; + + if( nanflag ) value = 0.0; + else + { + value = tmpvalue0 + tmpvalue1; + value = 1.0 / value; + } + value += ob->length[dir_pa]; +#if DEBUG + fprintf( stderr, "value = %f\n", value ); +#endif + + return( value ); +} + +double calcW( Node *ob, Node *op ) +{ + int i, count; + int dir_ch[3]; + int dir_pa = -10; // by katoh + double a, b, c, f, s; + double value; + + if( isLeaf( *ob ) ) + return( 1.0 ); + + for( i=0, count=0; i<3; i++ ) + { + if( op != ob->children[i] ) dir_ch[count++] = i; + else dir_pa = i; + } + if( count != 2 ) ErrorExit( "Invalid call of calcW\n" ); + +#if DEBUG + fprintf( stderr, "In calcW\n" ); + fprintf( stderr, "ob = %d\n", ob - stopol_g ); + fprintf( stderr, "op = %d\n", op - stopol_g ); + fprintf( stderr, "ob->children[c1] = %d\n", ob->children[dir_ch[0]] - stopol_g ); + fprintf( stderr, "ob->children[c2] = %d\n", ob->children[dir_ch[1]] - stopol_g ); + fprintf( stderr, "ob->children[pa] = %d\n", ob->children[dir_pa] - stopol_g ); + fprintf( stderr, "\n" ); +#endif + + a = syntheticLength( ob->children[dir_ch[0]], ob ); + b = syntheticLength( ob->children[dir_ch[1]], ob ); + c = syntheticLength( ob->children[dir_pa], ob ); + +#if DEBUG + fprintf( stderr, "a = %f\n", a ); + fprintf( stderr, "b = %f\n", b ); + fprintf( stderr, "c = %f\n", c ); +#endif + + if( !c ) return( MAXBW ); + if ( !a || !b ) return( MINBW ); /* ? */ + + f = EF_THREEWAY; + s = ( b*c + c*a + a*b ); + + value = a*b*(c+a)*(c+b) / ( c*(a+b) * f * s ); + + value = sqrt( value ); + + return( value ); +} + +void calcBranchWeight( double **bw, int locnseq, Node *stopol, int ***topol, double **len ) +{ + NodeInCub parent; + int i; + int rep; + Node *topNode, *btmNode; + double topW, btmW; + + for( i=locnseq; ichildren[i] != op ) dir_ch[count++] = i; + else dir_pa = i; + } + if( count != 2 ) + { +#if DEBUG + fprintf( stderr, "Node No.%d has no child like No.%d \n", ob-stopol_g, op-stopol_g ); +#endif + ErrorExit( "Incorrect call of weightFromABranch_rec" ); + } + for( i=0; (n=ob->members[dir_ch[0]][i])!=-1; i++ ) + result[n] *= *ob->weightptr[dir_ch[0]]; + weightFromABranch_rec( result, ob->children[dir_ch[0]], ob ); + + for( i=0; (n=ob->members[dir_ch[1]][i])!=-1; i++ ) + result[n] *= *ob->weightptr[dir_ch[1]]; + weightFromABranch_rec( result, ob->children[dir_ch[1]], ob ); +} + +void weightFromABranch( int nseq, double *result, Node *stopol, int ***topol, int step, int LorR ) +{ + Node *topNode, *btmNode; + int i; + + if( step == nseq - 2 ) + { + topNode = stopol[nseq-2].children[0]; + btmNode = stopol + nseq-3; +#if DEBUG + fprintf( stderr, "Now step == nseq-3, topNode = %d, btmNode = %d\n", topNode - stopol_g, btmNode-stopol_g ); +#endif + } + + else + { + for( i=0; i<3; i++ ) + { + if( stopol[step].members[i][0] == topol[step][LorR][0] ) + break; + } + if( i== 3 ) ErrorExit( "Incorrect call of weightFromABranch." ); + btmNode = stopol[step].children[i]; + topNode = stopol+step; + } + + for( i=0; ichildren[i] != op ) dir_ch[count++] = i; + else dir_pa = i; + } + if( count != 2 ) + { +#if DEBUG + fprintf( stderr, "Node No.%d has no child like No.%d \n", ob-stopol_g, op-stopol_g ); +#endif + ErrorExit( "Incorrect call of weightFromABranch_rec" ); + } + + +// fprintf( stderr, "\n" ); + sumweight = 0.0; + count = 0; + lastkozo = -1; + for( i=0; (n=ob->members[dir_ch[0]][i])!=-1; i++ ) + { +// fprintf( stderr, "member1! n=%d\n", n ); + sumweight += seqweight[n]; + if( kozoari[n] ) + { + count++; + lastkozo = n; + } + } + for( i=0; (n=ob->members[dir_ch[1]][i])!=-1; i++ ) + { +// fprintf( stderr, "member2! n=%d\n", n ); + sumweight += seqweight[n]; + if( kozoari[n] ) + { + count++; + lastkozo = n; + } + } + +// fprintf( stderr, "count = %d\n", count ); + + if( count == 1 ) + strweight[lastkozo] = sumweight; + else if( count > 1 ) + { + assignstrweight_rec( strweight, ob->children[dir_ch[0]], ob, kozoari, seqweight ); + assignstrweight_rec( strweight, ob->children[dir_ch[1]], ob, kozoari, seqweight ); + } +} + +void assignstrweight( int nseq, double *strweight, Node *stopol, int ***topol, int step, int LorR, char *kozoari, double *seqweight ) +{ + Node *topNode, *btmNode; + int i; + + if( step == nseq - 2 ) + { + topNode = stopol[nseq-2].children[0]; + btmNode = stopol + nseq-3; +#if DEBUG + fprintf( stderr, "Now step == nseq-3, topNode = %d, btmNode = %d\n", topNode - stopol_g, btmNode-stopol_g ); +#endif + } + + else + { + for( i=0; i<3; i++ ) + { + if( stopol[step].members[i][0] == topol[step][LorR][0] ) + break; + } + if( i== 3 ) ErrorExit( "Incorrect call of weightFromABranch." ); + btmNode = stopol[step].children[i]; + topNode = stopol+step; + } + + for( i=0; i-1; i++ ) + fprintf( stderr, "%3d ", topol[step][0][i] ); + fprintf( stderr, "\n" ); + for( i=0; topol[step][1][i]>-1; i++ ) + fprintf( stderr, "%3d ", topol[step][1][i] ); + fprintf( stderr, "\n" ); + for( i=0; i univscript + + +mxscarnamod: $(SCARNASRC) + $(MAKE) CFLAGS1="$(MNO_CYGWIN)" -C mxscarna_src + mv mxscarna_src/mxscarna mxscarnamod + + +clean : + rm -f *.o *.a *.exe *~ $(PROGS) +# rm -f ../binaries/* ../scripts/* + $(MAKE) clean -C mxscarna_src + +install : all + mkdir -p $(LIBDIR) + chmod 755 $(LIBDIR) + chmod 755 $(PROGS) + $(INSTALL) $(PROGS) $(LIBDIR) diff --git a/binaries/src/mafft/extensions/mxscarna_src/AlifoldMEA.cpp b/binaries/src/mafft/extensions/mxscarna_src/AlifoldMEA.cpp new file mode 100644 index 0000000..340353f --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/AlifoldMEA.cpp @@ -0,0 +1,211 @@ +#include "AlifoldMEA.h" + +namespace MXSCARNA{ + +const int AlifoldMEA::TURN = 3; + +void +AlifoldMEA:: +Run() +{ + makeProfileBPPMatrix(alignment); + Initialization(); + DP(); + TraceBack(); +} + +void +AlifoldMEA:: +makeProfileBPPMatrix(const MultiSequence *Sequences) +{ + int length = Sequences->GetSequence(0)->GetLength(); + + Trimat *consBppMat = new Trimat(length + 1); + fill(consBppMat->begin(), consBppMat->end(), 0); + + for(int i = 1; i <= length; i++) + for (int j = i; j <= length; j++) + bppMat.ref(i, j) = 0; + + + int number = Sequences->GetNumSequences(); + for(int seqNum = 0; seqNum < number; seqNum++) { + SafeVector *tmpMap = Sequences->GetSequence(seqNum)->GetMappingNumber(); + int label = Sequences->GetSequence(seqNum)->GetLabel(); + BPPMatrix *tmpBppMatrix = BPPMatrices[label]; + + for(int i = 1; i <= length ; i++) { + int originI = tmpMap->at(i); + for(int j = i; j <= length; j++) { + int originJ = tmpMap->at(j); + if(originI != 0 && originJ != 0) { + float tmpProb = tmpBppMatrix->GetProb(originI, originJ); + bppMat.ref(i, j) += tmpProb; + } + } + } + } + + /* compute the mean of base pairing probability */ + for(int i = 1; i <= length; i++) { + for(int j = i; j <= length; j++) { + bppMat.ref(i,j) = bppMat.ref(i,j)/(float)number; + } + } + + for (int i = 1; i <= length; i++) { + float sum = 0; + for (int j = i; j <= length; j++) { + sum += bppMat.ref(i,j); + } + Qi[i] = 1 - sum; + } + + for (int i = 1; i <= length; i++) { + float sum = 0; + for (int j = i; j >= 1; j--) { + sum += bppMat.ref(j, i); + } + Qj[i] = 1 - sum; + } +} + +void +AlifoldMEA:: +Initialization() +{ + int length = alignment->GetSequence(0)->GetLength(); + + for (int i = 1; i <= length; i++) { + for (int j = i; j <= length; j++) { + M.ref(i,j) = 0; + traceI.ref(i,j) = 0; + traceJ.ref(i,j) = 0; + } + } + + for (int i = 1; i <= length; i++) { + M.ref(i,i) = Qi[i]; + traceI.ref(i,i) = 0; + traceJ.ref(i,i) = 0; + } + + for (int i = 1; i <= length - 1; i++) { + M.ref(i, i+1) = Qi[i+1]; + traceI.ref(i,i + 1) = 0; + traceJ.ref(i,i + 1) = 0; + } + + for (int i = 0; i <= length; i++) { + ssCons[i] = '.'; + } +} + +void +AlifoldMEA:: +DP() +{ + float g = BasePairConst; // see scarna.hpp + int length = alignment->GetSequence(0)->GetLength(); + + for (int i = length - 1; i >= 1; i--) { + for (int j = i + TURN + 1; j <= length; j++) { + float qi = Qi[i]; + float qj = Qj[j]; + float p = bppMat.ref(i,j); + + + float maxScore = qi + M.ref(i+1, j); + int tmpI = i+1; + int tmpJ = j; + + float tmpScore = qj + M.ref(i, j-1); + if (tmpScore > maxScore) { + maxScore = tmpScore; + tmpI = i; + tmpJ = j - 1; + } + + tmpScore = g*2*p + M.ref(i+1, j-1); + if (tmpScore > maxScore) { + maxScore = tmpScore; + tmpI = i + 1; + tmpJ = j - 1; + } + + for (int k = i + 1; k < j - 1; k++) { + tmpScore = M.ref(i,k) + M.ref(k+1,j); + if (tmpScore > maxScore) { + maxScore = tmpScore; + tmpI = i; + tmpJ = j; + } + } + M.ref(i,j) = maxScore; + traceI.ref(i, j) = tmpI; + traceJ.ref(i, j) = tmpJ; + } + } +} + +void +AlifoldMEA:: +TraceBack() +{ + + int length = alignment->GetSequence(0)->GetLength(); + SafeVector stackI((length + 1)*(length+1)); + SafeVector stackJ((length + 1)*(length+1)); + int pt = 0; + + stackI[pt] = traceI.ref(1, length); + stackJ[pt] = traceJ.ref(1, length); + ++pt; + + while(pt != 0) { + --pt; + int tmpI = stackI[pt]; + int tmpJ = stackJ[pt]; + int nextI = traceI.ref(tmpI, tmpJ); + int nextJ = traceJ.ref(tmpI, tmpJ); + + if (tmpI < tmpJ) { + if (tmpI + 1 == nextI && tmpJ == nextJ) { + stackI[pt] = nextI; + stackJ[pt] = nextJ; + ++pt; + } + else if (tmpI == nextI && tmpJ - 1 == nextJ) { + stackI[pt] = nextI; + stackJ[pt] = nextJ; + ++pt; + } + else if (tmpI + 1 == nextI && tmpJ - 1== nextJ) { + stackI[pt] = nextI; + stackJ[pt] = nextJ; + ++pt; + ssCons[tmpI] = '('; + ssCons[tmpJ] = ')'; + } + else if (tmpI == nextI && tmpJ == nextJ) { + float maxScore = IMPOSSIBLE; + int maxK = 0; + + for (int k = tmpI + 1; k < tmpJ - 1; k++) { + float tmpScore = M.ref(tmpI,k) + M.ref(k+1,tmpJ); + if (tmpScore > maxScore) { + maxScore = tmpScore; + maxK = k; + } + } + stackI[pt] = traceI.ref(tmpI, maxK); + stackJ[pt] = traceJ.ref(tmpI, maxK); + ++pt; + stackI[pt] = traceI.ref(maxK+1, tmpJ); + stackJ[pt] = traceJ.ref(maxK+1, tmpJ); + ++pt; + } + } + } +} +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/AlifoldMEA.h b/binaries/src/mafft/extensions/mxscarna_src/AlifoldMEA.h new file mode 100644 index 0000000..02c06c5 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/AlifoldMEA.h @@ -0,0 +1,63 @@ +#ifndef _ALIFOLDMEA_H_ +#define _ALIFOLDMEA_H_ + +#include +#include +#include +#include "scarna.hpp" +#include "nrutil.h" +#include "Util.hpp" +#include "Beta.hpp" +#include "BPPMatrix.hpp" +#include "MultiSequence.h" +#include "Sequence.h" +#include "SafeVector.h" + +using namespace std; + +namespace MXSCARNA { +class AlifoldMEA { + MultiSequence *alignment; + SafeVector BPPMatrices; + float BasePairConst; + Trimat M; + Trimat traceI; + Trimat traceJ; + Trimat bppMat; + NRVec Qi; + NRVec Qj; + NRVec ssCons; + + static const int TURN; + + void Initialization(); + void makeProfileBPPMatrix(const MultiSequence *Sequences); + void DP(); + void TraceBack(); + public: + AlifoldMEA(MultiSequence *inalignment, SafeVector &inBPPMatrices, float inBasePairConst = 6) : + alignment(inalignment), BPPMatrices(inBPPMatrices), + BasePairConst(inBasePairConst), + M(inalignment->GetSequence(0)->GetLength()+1), + traceI(inalignment->GetSequence(0)->GetLength()+1), + traceJ(inalignment->GetSequence(0)->GetLength()+1), + bppMat(inalignment->GetSequence(0)->GetLength() + 1), + Qi(inalignment->GetSequence(0)->GetLength() + 1), + Qj(inalignment->GetSequence(0)->GetLength() + 1), + ssCons(inalignment->GetSequence(0)->GetLength() + 1){} + + void Run(); + + string *getSScons() { + string *sscons = new string(); + sscons->push_back(' '); + int length = alignment->GetSequence(0)->GetLength(); + for (int i = 1; i <= length; i++) { + sscons->push_back(ssCons[i]); + } + + return sscons; + } +}; +} +#endif // _ALIFOLDMEA_H_ diff --git a/binaries/src/mafft/extensions/mxscarna_src/BPPMatrix.hpp b/binaries/src/mafft/extensions/mxscarna_src/BPPMatrix.hpp new file mode 100644 index 0000000..1c16ed7 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/BPPMatrix.hpp @@ -0,0 +1,130 @@ +////////////////////////////////////////////////////////////// +// BPPMatrix.hpp +// +// save the Base Pairing Probability Matrix for each sequences +////////////////////////////////////////////////////////////// + +#ifndef __BBPMatrix_HPP__ +#define __BBPMatrix_HPP__ + +#include +#include +#include "SparseMatrix.h" +#include "McCaskill.hpp" +#include "nrutil.h" + + + +using namespace std; + +namespace MXSCARNA{ +class BPPMatrix { +private: + + int seqLength; // sequence length; + float cutOff; // the threshold of probability + + BPPMatrix() {} +public: + SparseMatrix bppMat; // base pairing probability matrix 1-origin(1..seqLength) + BPPMatrix(int bppmode, const string &seq, int seqLength, float inCutOff = 0.0001) : seqLength (seqLength), cutOff(inCutOff) { + if( bppmode == 'r' ) // by katoh + readBPPMatrix(seq); + else if( bppmode == 'w' ) + setandwriteBPPMatrix(seq); + else + setBPPMatrix(seq); + } + BPPMatrix(int seqLength, float inCutOff, const Trimat & tmpBppMat) : seqLength(seqLength), cutOff(inCutOff) { + bppMat.SetSparseMatrix(seqLength, seqLength, tmpBppMat, cutOff); + } + + + void setBPPMatrix(const string &seq) { + const char *tmpSeq = seq.c_str(); + McCaskill mc(seqLength, &tmpSeq[1]); + mc.calcPartitionFunction(); + Trimat tmpBppMat(seqLength + 1); + + for (int i = 0; i < seqLength; i++) { + for(int j = i; j < seqLength; j++) { + tmpBppMat.ref(i+1, j+1) = mc.getProb(i,j); + } + } + bppMat.SetSparseMatrix(seqLength, seqLength, tmpBppMat, cutOff); + } + + void setandwriteBPPMatrix(const string &seq) { // by katoh + const char *tmpSeq = seq.c_str(); + McCaskill mc(seqLength, &tmpSeq[1]); + mc.calcPartitionFunction(); + Trimat tmpBppMat(seqLength + 1); + float tmpbp; + + fprintf( stdout, ">\n" ); + for (int i = 0; i < seqLength; i++) { + for(int j = i; j < seqLength; j++) { + tmpbp = mc.getProb(i,j); + if (tmpbp > 0.0001) + fprintf( stdout, "%d %d %50.40f\n", i, j, tmpbp ); + tmpBppMat.ref(i+1, j+1) = tmpbp; + } + } + bppMat.SetSparseMatrix(seqLength, seqLength, tmpBppMat, cutOff); + } + + void readBPPMatrix(const string &seq) { // by katoh + const char *tmpSeq = seq.c_str(); + char oneline[1000]; + int onechar; + float prob; + int posi, posj; + static FILE *bppfp = NULL; + + + if( bppfp == NULL ) + { + bppfp = fopen( "_bpp", "r" ); + if( bppfp == NULL ) + { + fprintf( stderr, "Cannot open _bpp.\n" ); + exit( 1 ); + } + } + + Trimat tmpBppMat(seqLength + 1); + fgets( oneline, 999, bppfp ); + if( oneline[0] != '>' ) + { + fprintf( stderr, "Format error\n" ); + exit( 1 ); + } + while( 1 ) + { + onechar = getc( bppfp ); + ungetc( onechar, bppfp ); + if( onechar == '>' || onechar == EOF ) break; + + fgets( oneline, 999, bppfp ); + sscanf( oneline, "%d %d %f", &posi, &posj, &prob ); +// fprintf( stderr, "%d %d -> %f\n", posi, posj, prob ); + tmpBppMat.ref(posi+1, posj+1) = prob; + } + + bppMat.SetSparseMatrix(seqLength, seqLength, tmpBppMat, cutOff); + } + + float GetProb(int i, int j) { + return bppMat.GetValue(i,j); + } + + float GetLength() const { + return seqLength; + } + + void updateBPPMatrix(const Trimat &inbppMat) { + bppMat.SetSparseMatrix(seqLength, seqLength, inbppMat, cutOff); + } +}; +} +#endif // __BPPMatrix_HPP__ diff --git a/binaries/src/mafft/extensions/mxscarna_src/Beta.hpp b/binaries/src/mafft/extensions/mxscarna_src/Beta.hpp new file mode 100644 index 0000000..f1e77a4 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/Beta.hpp @@ -0,0 +1,201 @@ +/* + * + * Beta.hpp + * + */ +#ifndef BETA_HPP +#define BETA_HPP +using namespace std; + +struct Beta { + static const int NBASE = 4;// A, C, G, U + static const int NBASEG = (NBASE + 1); // A, C, G, U, Gap + static const int NBASENG = (NBASE + 2); // A, C, G, U, N, Gap + static const int NPBASE = (NBASE * NBASE); + static const int NPBASEG = (NBASEG * NBASEG); + static const int NPBASENG = (NBASENG * NBASENG); + static const int NCODE = 7; + static const int BASEBIT = 2; + static const int BASEMSK = ~(~0 << BASEBIT); + enum BaseCode { + A_CODE = 0, + C_CODE = 1, + G_CODE = 2, + U_CODE = 3, + N_CODE = 4, + GAP_CODE = 5, + INVALID_CODE = 16 + }; + enum PairCode { + AA_CODE = 0, AC_CODE = 1, AG_CODE = 2, AU_CODE = 3, + CA_CODE = 4, CC_CODE = 5, CG_CODE = 6, CU_CODE = 7, + GA_CODE = 8, GC_CODE = 9, GG_CODE = 10, GU_CODE = 11, + UA_CODE = 12, UC_CODE = 13, UG_CODE = 14, UU_CODE = 15, + INVALID_PAIR_CODE = 16 + }; + enum ReducedPairCode { + REDUCED_NPBASE = 7, + REDUCED_AU_CODE = 0, + REDUCED_CG_CODE = 1, + REDUCED_GC_CODE = 2, + REDUCED_GU_CODE = 3, + REDUCED_UA_CODE = 4, + REDUCED_UG_CODE = 5, + REDUCED_MM_CODE = 6, + REDUCED_INVALID_PAIR_CODE = 16 + }; + + static const int N_CANONICAL = 6; + static const int canonicalPairs[N_CANONICAL]; + static const int N_NON_CANONICAL = 10; + static const int nonCanonicalPairs[N_NON_CANONICAL]; + static const int i2nt[NCODE]; + static const int nt2i[256]; + static const bool isCanonicalBasePair[NPBASE]; + + static bool IsValidCode(const int& c) {return A_CODE <= c && c <= GAP_CODE;} + static bool IsBaseCode(const int& c) {return (A_CODE <= c && c <= U_CODE);} + static bool IsBasePairCode(const int& c){return (AA_CODE <= c && c <= UU_CODE);} + static bool IsReducedBasePairCode(const int& c) { + return (REDUCED_AU_CODE <= c && c <= REDUCED_MM_CODE); + } + static bool IsAmbiguousCode(const int& c) {return c == N_CODE;} + static bool IsGapCode(const int& c) {return c == GAP_CODE;} + static bool IsValidChar(const unsigned char& c) { + return IsValidCode(nt2i[c]); + } + static bool IsBaseChar(const int& c) {return IsBaseCode(nt2i[c]);} + static bool IsAmbiguousChar(const int& c) {return IsAmbiguousCode(nt2i[c]);} + static bool IsGapChar(const int& c) {return IsGapCode(nt2i[c]);} + static int nt2code(const int& nt) { + if (0 <= nt && nt < 256) { + return nt2i[nt]; + } else { + return INVALID_CODE; + } + } + static int getPairCode(const int& c, const int& c1) { + return (IsBaseCode(c) && IsBaseCode(c1) + ? ((c << BASEBIT) | c1) + : INVALID_PAIR_CODE); + } + static bool isValidPairCode(const int& pairCode) { + return (0 <= pairCode && pairCode < NPBASE); + } + static void pair2Bases(const int& pairCode, int& c, int& c1) { + //Assert(IsBasePairCode(pairCode)); + c1 = pairCode & BASEMSK; + c = (pairCode >> BASEBIT) & BASEMSK; + } + static int getReducedPairCode(const int& c, const int& c1) { + return reducePairCode(getPairCode(c, c1)); + } + static int reducePairCode(const int& pairCode) { + static const int table[NPBASE] = { + REDUCED_MM_CODE, REDUCED_MM_CODE, REDUCED_MM_CODE, REDUCED_AU_CODE, + REDUCED_MM_CODE, REDUCED_MM_CODE, REDUCED_CG_CODE, REDUCED_MM_CODE, + REDUCED_MM_CODE, REDUCED_GC_CODE, REDUCED_MM_CODE, REDUCED_GU_CODE, + REDUCED_UA_CODE, REDUCED_MM_CODE, REDUCED_UG_CODE, REDUCED_MM_CODE, + }; + return (IsBasePairCode(pairCode) + ? table[pairCode] + : REDUCED_INVALID_PAIR_CODE); + } + static bool isValidReducedPairCode(const int& pairCode) { + return (0 <= pairCode && pairCode < REDUCED_NPBASE); + } + static bool isCanonicalReducedPairCode(const int& pairCode) { + return (REDUCED_AU_CODE <= pairCode + && pairCode <= REDUCED_UG_CODE); + } + static int flipReducedPairCode(const int& reducedPairCode) { + static const int table[REDUCED_NPBASE + 1] = { + REDUCED_UA_CODE, + REDUCED_GC_CODE, + REDUCED_CG_CODE, + REDUCED_UG_CODE, + REDUCED_AU_CODE, + REDUCED_GU_CODE, + REDUCED_MM_CODE, + REDUCED_INVALID_PAIR_CODE + }; + return (IsReducedBasePairCode(reducedPairCode) + ? table[reducedPairCode] : table[REDUCED_NPBASE]); + } + static void seq2i(char* s, const char* t, int len) { + const char* const s_end = s + len; + while (s < s_end) *s++ = nt2i[(unsigned) (*t++)]; + } + static void i2seq(char* s, const char* t, int len) { + const char* const s_end = s + len; + while (s < s_end) *s++ = i2nt[(unsigned) (*t++)]; + } + static void i2seq(ostream& fo, const char* t, int len) { + const char* const t_end = t + len; + while (t < t_end) fo << (char) i2nt[(unsigned) (*t++)]; + } + static char* wd2str(unsigned int wdSize, unsigned int wd) { + const unsigned int MAX_WD_SIZE = (sizeof(unsigned int) * 8 / BASEBIT); + static char buf[MAX_WD_SIZE + 1] = {}; + //Assert(wdSize <= MAX_WD_SIZE); + + char* s = buf + wdSize; + *s = '\0'; + do { + *(--s) = Beta::i2nt[wd & BASEMSK]; + wd >>= BASEBIT; + } while (s > buf); + return buf; + } + static void printWd(ostream& fo, unsigned int wdSize, unsigned int wd) { + fo << wd2str(wdSize, wd); + } + static const char* code2str(const int& code) { + static const char table[NBASENG+1][2] = { + "A", "C", "G", "U", "N", ".", "?" + }; + return ((A_CODE <= code && code <= GAP_CODE) + ? table[code] : table[NBASENG]); + } + static const char* pairCode2str(const int& pairCode) { + static const char table[NPBASE+1][3] = { + "AA", "AC", "AG", "AU", + "CA", "CC", "CG", "CU", + "GA", "GC", "GG", "GU", + "UA", "UC", "UG", "UU", + "??" + }; + return (IsBasePairCode(pairCode) ? table[pairCode] : table[NPBASE]); + } + static const char* reducedPairCode2str(const int& reducedPairCode) { + static const char table[REDUCED_NPBASE+1][3] = { + "AU", "CG", "GC", "GU", "UA", "UG", "MM", "??" + }; + return (IsReducedBasePairCode(reducedPairCode) + ? table[reducedPairCode] : table[REDUCED_NPBASE]); + } + static char nt2Code(const char& c){ + if (!IsValidChar(c)) { cerr << "character " << c << " is not valid"; } + + return (char) nt2i[(int) c]; + } + static char code2char(const int& c) { + static const char table[NBASENG+1] = { + 'A', 'C', 'G', 'U', 'N', '.', '?' + }; + return ((A_CODE <= c && c <= GAP_CODE) + ? table[(int) c] : table[NBASENG]); + } + /* + static string generateRandomRNA(const int& len) { + static const char nt[5] = "ACGU"; + string rna(len, '\0'); + for (int i = 0; i < len; i++) { + rna[i] = nt[Rand(4)]; + } + return rna; + } + */ +}; + +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/GlobalParameters.cpp b/binaries/src/mafft/extensions/mxscarna_src/GlobalParameters.cpp new file mode 100644 index 0000000..4d32c8e --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/GlobalParameters.cpp @@ -0,0 +1,27 @@ +////////////////////////////////////////////////////////////// +// GlobalParameters.cpp +// This file include Global Parameters, command line options, etc. +////////////////////////////////////////////////////////////// + +#include "scarna.hpp" + +// These paramenters are defined in scarna.hpp + +float RNA_Match_AA = RNAMATCHAA; +float RNA_Match_AT = RNAMATCHAT; +float RNA_Match_AG = RNAMATCHAG; +float RNA_Match_AC = RNAMATCHAC; +float RNA_Match_TT = RNAMATCHTT; +float RNA_Match_TG = RNAMATCHTG; +float RNA_Match_TC = RNAMATCHTC; +float RNA_Match_GG = RNAMATCHGG; +float RNA_Match_GC = RNAMATCHGC; +float RNA_Match_CC = RNAMATCHCC; +float RNA_Gap_Penalty = GAPPENALTY; +float RNA_Gap_Extension = GAPEXTENTIONPENALTY; + +int numIterativeRefinementReps = REFINEMENTREPS; +bool PostProcessAlignment = false; +int scsLength = SCSLENGTH; +float BaseProbThreshold = BASEPROBTHRESHOLD; +float BasePairConst = BASEPAIRCONST; diff --git a/binaries/src/mafft/extensions/mxscarna_src/Globaldp.cpp b/binaries/src/mafft/extensions/mxscarna_src/Globaldp.cpp new file mode 100644 index 0000000..daabff4 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/Globaldp.cpp @@ -0,0 +1,557 @@ +#include "Globaldp.hpp" + +namespace MXSCARNA { + +double Globaldp::ribosum_matrix[16][16] += { { -2.49, -7.04, -8.24, -4.32, -8.84, -14.37, -4.68, -12.64, -6.86, -5.03, -8.39, -5.84, -4.01, -11.32, -6.16, -9.05 }, + { -7.04, -2.11, -8.89, -2.04, -9.37, -9.08, -5.86, -10.45, -9.73, -3.81, -11.05, -4.72, -5.33, -8.67, -6.93, -7.83 }, + { -8.24, -8.89, -0.80, -5.13, -10.41, -14.53, -4.57, -10.14, -8.61, -5.77, -5.38, -6.60, -5.43, -8.87, -5.94, -11.07 }, + { -4.32, -2.04, -5.13, 4.49, -5.56, -6.71, 1.67, -5.17, -5.33, 2.70, -5.61, 0.59, 1.61, -4.81, -0.51, -2.98 }, + { -8.84, -9.37, -10.41, -5.56, -5.13, -10.45, -3.57, -8.49, -7.98, -5.95, -11.36, -7.93, -2.42, -7.08, -5.63, -8.39 }, + { -14.37, -9.08, -14.53, -6.71, -10.45, -3.59, -5.71, -5.77, -12.43, -3.70, -12.58, -7.88, -6.88, -7.40, -8.41, -5.41 }, + { -4.68, -5.86, -4.57, 1.67, -3.57, -5.71, 5.36, -4.96, -6.00, 2.11, -4.66, -0.27, 2.75, -4.91, 1.32, -3.67 }, + { -12.64, -10.45, -10.14, -5.17, -8.49, -5.77, -4.96, -2.28, -7.71, -5.84, -13.69, -5.61, -4.72, -3.83, -7.36, -5.21 }, + { -6.86, -9.73, -8.61, -5.33, -7.98, -12.43, -6.00, -7.71, -1.05, -4.88, -8.67, -6.10, -5.85, -6.63, -7.55, -11.54 }, + { -5.03, -3.81, -5.77, 2.70, -5.95, -3.70, 2.11, -5.84, -4.88, 5.62, -4.13, 1.21, 1.60, -4.49, -0.08, -3.90 }, + { -8.39, -11.05, -5.38, -5.61, -11.36, -12.58, -4.66, -13.69, -8.67, -4.13, -1.98, -5.77, -5.75, -12.01, -4.27, -10.79 }, + { -5.84, -4.72, -6.60, 0.59, -7.93, -7.88, -0.27, -5.61, -6.10, 1.21, -5.77, 3.47, -0.57, -5.30, -2.09, -4.45 }, + { -4.01, -5.33, -5.43, 1.61, -2.42, -6.88, 2.75, -4.72, -5.85, 1.60, -5.75, -0.57, 4.97, -2.98, 1.14, -3.39 }, + { -11.32, -8.67, -8.87, -4.81, -7.08, -7.40, -4.91, -3.83, -6.63, -4.49, -12.01, -5.30, -2.98, -3.21, -4.76, -5.97 }, + { -6.16, -6.93, -5.94, -0.51, -5.63, -8.41, 1.32, -7.36, -7.55, -0.08, -4.27, -2.09, 1.14, -4.76, 3.36, -4.28 }, + { -9.05, -7.83, -11.07, -2.98, -8.39, -5.41, -3.67, -5.21, -11.54, -3.90, -10.79, -4.45, -3.39, -5.97, -4.28, -0.02 } +}; + + +Trimat* +Globaldp:: +makeProfileBPPMatrix(const MultiSequence *Sequences) +{ + int length = Sequences->GetSequence(0)->GetLength(); + float thr = THR; + Trimat *consBppMat = new Trimat(length + 1); + fill(consBppMat->begin(), consBppMat->end(), 0); + + int number = Sequences->GetNumSequences(); + for(int seqNum = 0; seqNum < number; seqNum++) { + SafeVector *tmpMap = Sequences->GetSequence(seqNum)->GetMappingNumber(); + int label = Sequences->GetSequence(seqNum)->GetLabel(); + BPPMatrix *tmpBppMatrix = BPPMatrices[label]; + + for(int i = 1; i <= length ; i++) { + int originI = tmpMap->at(i); + for(int j = i; j <= length; j++) { + int originJ = tmpMap->at(j); + if(originI != 0 && originJ != 0) { + float tmpProb = tmpBppMatrix->GetProb(originI, originJ); + + if(tmpProb >= thr) { + consBppMat->ref(i, j) += tmpProb; + } + } + } + } + } + + /* compute the mean of base pairing probability */ + for(int i = 1; i <= length; i++) { + for(int j = i; j <= length; j++) { + consBppMat->ref(i,j) = consBppMat->ref(i,j)/(float)number; + } + } + + return consBppMat; +} + +float +Globaldp:: +incrementalScorePSCPair(const StemCandidate &sc1, const StemCandidate &sc2) +{ + int wordLength = WORDLENGTH; + + int pos1, rvpos1; + if (sc1.GetDistance() > 0) { + pos1 = sc1.GetPosition(); + rvpos1 = sc1.GetRvposition(); + } + else { + pos1 = sc1.GetRvposition(); + rvpos1 = sc1.GetPosition(); + } + + int pos2, rvpos2; + if (sc2.GetDistance() > 0) { + pos2 = sc2.GetPosition(); + rvpos2 = sc2.GetRvposition(); + } + else { + pos2 = sc2.GetRvposition(); + rvpos2 = sc2.GetPosition(); + } +/* + cout << "1:" << i << " " << j << " " << sc1.GetDistance() << " " << sc2.GetDistance() << endl; + cout << sc1.GetPosition() << " " << sc1.GetRvposition() << " " << sc2.GetPosition() << " " << sc2.GetRvposition() << endl; +*/ + float score = + posterior[sc1.GetPosition() + wordLength - 1][sc2.GetPosition() + wordLength - 1] +// * sc1.GetBaseScore(wordLength - 1) + * profileBPPMat1->ref(pos1 + wordLength - 1, rvpos1) + * posterior[sc1.GetRvposition()][sc2.GetRvposition()] +// * sc2.GetBaseScore(wordLength - 1); + * profileBPPMat2->ref(pos2 + wordLength - 1, rvpos2); + + +/* + incrementalWordSimilarity(sc1, sc2, i, j) + + incrementalProbabilityScore(sc1, sc2) * multiDeltaScore + + incrementalStackingScore(sc1, sc2) * multiDeltaStacking; +*/ + + return score*sc1.GetNumSeq()*sc2.GetNumSeq(); +} + +float +Globaldp:: +incrementalProbabilityScore(const StemCandidate &sc1, const StemCandidate &sc2) +{ + int wordLength = WORDLENGTH; + return sc1.GetBaseScore(wordLength-1) + sc2.GetBaseScore(wordLength-1); +} + +float +Globaldp:: +incrementalStackingScore(const StemCandidate &sc1, const StemCandidate &sc2) +{ + return - (sc1.GetStacking() + sc2.GetStacking()); +} + +float +Globaldp:: +incrementalWordSimilarity(const StemCandidate &sc1, const StemCandidate &sc2, int i, int j) +{ + int numSeq1 = sc1.GetNumSeq(); + int numSeq2 = sc2.GetNumSeq(); + + float score = 0; + + for(int k = 0; k < 16; k++) { + for(int l = 0; l < 16; l++) { + score += countContConp1[k][i]*countContConp2[l][j]*ribosum_matrix[k][l]; + } + } + + return score/(numSeq1*numSeq2); +} + +float +Globaldp:: +scorePSCPair(const StemCandidate &sc1, const StemCandidate &sc2) +{ + + + int wordLength = WORDLENGTH; + float score = 0; + + int pos1, rvpos1; + if (sc1.GetDistance() > 0) { + pos1 = sc1.GetPosition(); + rvpos1 = sc1.GetRvposition(); + } + else { + pos1 = sc1.GetRvposition(); + rvpos1 = sc1.GetPosition(); + } + + int pos2, rvpos2; + if (sc2.GetDistance() > 0) { + pos2 = sc2.GetPosition(); + rvpos2 = sc2.GetRvposition(); + } + else { + pos2 = sc2.GetRvposition(); + rvpos2 = sc2.GetPosition(); + } + + for (int k = 0; k < wordLength; k++) { + score += + posterior[sc1.GetPosition() + k][sc2.GetPosition() + k] + * profileBPPMat1->ref(pos1 + k, rvpos1 + wordLength - 1 - k) +// * sc1.GetBaseScore(k) + * posterior[sc1.GetRvposition() + wordLength - 1 - k][sc2.GetRvposition() + wordLength - 1 - k] +// * sc2.GetBaseScore(k); + * profileBPPMat2->ref(pos2 + k, rvpos2 + wordLength - 1 - k); + } + // validation code + /* + if (profileBPPMat1->ref(pos1 , rvpos1 + wordLength - 1) != sc1.GetBaseScore(0)) { + cout << "1 " << profileBPPMat1->ref(pos1, rvpos1 + wordLength - 1) << " " << sc1.GetBaseScore(0) << endl; + } + if (profileBPPMat2->ref(pos2, rvpos2 + wordLength - 1) != sc2.GetBaseScore(0)) { + cout << profileBPPMat2->ref(pos2, rvpos2 + wordLength - 1) << " " << sc2.GetBaseScore(0) << endl; + } + if (profileBPPMat1->ref(pos1 + 1, rvpos1 + wordLength - 1 - 1) != sc1.GetBaseScore(1)) { + cout << "1 " << profileBPPMat1->ref(pos1 + 1, rvpos1 + wordLength - 1 - 1) << " " << sc1.GetBaseScore(1) << endl; + } + if (profileBPPMat2->ref(pos2 + 1, rvpos2 + wordLength - 1 - 1) != sc2.GetBaseScore(1)) { + cout << profileBPPMat2->ref(pos2 + 1, rvpos2 + wordLength - 1 - 1) << " " << sc2.GetBaseScore(1) << endl; + }*/ + +// cout << sc1.GetPosition() << " " << sc1.GetRvposition() << " " << sc1.GetDistance() << endl; +// cout << sc2.GetPosition() << " " << sc2.GetRvposition() << " " << sc2.GetDistance() << endl; +/* + wordSimilarity(sc1, sc2, i, j) + + probabilityScore(sc1, sc2) * multiScore + + stackingScore(sc1, sc2) * multiStacking + +*/ +/* + if (sc1.GetDistance() < 0 && sc2.GetDistance() < 0) { + cout << "2:" << i << " " << j << " " << sc1.GetDistance() << " " << sc2.GetDistance() << endl; + cout << sc1.GetPosition() << " " << sc1.GetRvposition() << " " << sc2.GetPosition() << " " << sc2.GetRvposition() << endl; + cout << "2:score" << score << endl; + + } +*/ + return score*sc1.GetNumSeq()*sc2.GetNumSeq(); +} + +float +Globaldp:: +wordSimilarity(const StemCandidate &sc1, const StemCandidate &sc2, int i, int j) +{ + int wordLength = WORDLENGTH; + + int numSeq1 = sc1.GetNumSeq(); + int numSeq2 = sc2.GetNumSeq(); + + float score = 0; + + for(int k = 0; k < 16; k++) { + for(int l = 0; l < 16; l++) { + for(int iter = 0; iter < wordLength; iter++) { + score += countConp1[iter][k][i]*countConp2[iter][l][j]*ribosum_matrix[k][l]; + } + } + } + + return score/(numSeq1*numSeq2); +} + +int +Globaldp:: +returnBasePairType(char s, char r) +{ + if (s == 'A') { + if (r == 'A') return 0; + else if (r == 'C') return 1; + else if (r == 'G') return 2; + else if (r == 'U') return 3; + } + else if (s == 'C') { + if (r == 'A') return 4; + else if (r == 'C') return 5; + else if (r == 'G') return 6; + else if (r == 'U') return 7; + } + else if (s == 'G') { + if (r == 'A') return 8; + else if (r == 'C') return 9; + else if (r == 'G') return 10; + else if (r == 'U') return 11; + } + else if (s == 'U') { + if (r == 'A') return 12; + else if (r == 'C') return 13; + else if (r == 'G') return 14; + else if (r == 'U') return 15; + } + + return 16; +} + +float +Globaldp:: +probabilityScore(const StemCandidate &sc1, const StemCandidate &sc2) +{ + return sc1.GetScore() + sc2.GetScore(); +} + +float +Globaldp:: +stackingScore(const StemCandidate &sc1, const StemCandidate &sc2) +{ + return - (sc1.GetStemStacking() + sc2.GetStemStacking()); +} + +float +Globaldp:: +distancePenalty(const StemCandidate &sc1, const StemCandidate &sc2) +{ + return std::sqrt((float)std::abs(sc1.GetDistance() - sc2.GetDistance())); +} + +float +Globaldp:: +Run() +{ + Initialize(); + DP(); + float score = traceBack(); + + // printMatch(); + //cout << "score=" << score << endl; + return score; +} + +void +Globaldp:: +Initialize() +{ + int nPscs1 = pscs1->size(); + int nPscs2 = pscs2->size(); + + + for(int i = 0; i < nPscs1; i++) { + for(int j = 0; j < nPscs2; j++) { + VM[i][j] = 0; + VG[i][j] = 0; + } + } + + VM[0][0] = 0; + VG[0][0] = IMPOSSIBLE; + + for (int i = 1; i < nPscs1; i++) { + VM[i][0] = IMPOSSIBLE; VG[i][0] = 0; + } + for (int j = 1; j < nPscs2; j++) { + VM[0][j] = IMPOSSIBLE; VG[0][j] = 0; + } + + for (int i = 0; i < nPscs1; i++) { + for (int j = 0; j < nPscs2; j++) { + traceMI[i][j] = 0; traceMJ[i][j] = 0; + traceGI[i][j] = 0; traceGJ[i][j] = 0; + } + } + + int wordLength = WORDLENGTH; + int size1 = pscs1->size(); + int size2 = pscs2->size(); + + for(int i = 0; i < wordLength; i++) { + for(int j = 0; j < 17; j++) { + for(int k = 0; k < (int)pscs1->size(); k++) { + countConp1[i][j][k] = 0; + } + } + } + for(int i = 0; i < wordLength; i++) { + for(int j = 0; j < 17; j++) { + for(int k = 0; k < (int)pscs2->size(); k++) { + countConp2[i][j][k] = 0; + } + } + } + for(int i = 0; i < 17; i++) { + for(int j = 0; j < (int)pscs1->size()+1; j++) { + countContConp1[i][j] = 0; + } + } + for(int i = 0; i < 17; i++) { + for(int j = 0; j < (int)pscs2->size()+1; j++) { + countContConp2[i][j] = 0; + } + } + + for(int iter = 1; iter < size1; iter++) { + + const StemCandidate &sc1 = pscs1->at(iter); + int numSeq1 = sc1.GetNumSeq(); + for (int i = 0; i < wordLength; i++) { + + for(int k = 0; k < numSeq1; k++) { +// const Sequence *seq = seqs1->GetSequence(k); + string substr = sc1.GetSubstr(k); + string rvstr = sc1.GetRvstr(k); + + char sChar = substr[i]; + char rChar = rvstr[wordLength - 1 -i]; + + int type = returnBasePairType(sChar, rChar); + ++countConp1[i][type][iter]; + } + } + for(int k = 0; k < numSeq1; k++) { +// const Sequence *seq = seqs1->GetSequence(k); + string substr = sc1.GetSubstr(k); + string rvstr = sc1.GetRvstr(k); + + char sChar = substr[wordLength-1]; + char rChar = rvstr[0]; + + int type = returnBasePairType(sChar, rChar); + ++countContConp1[type][iter]; + + } + } + for(int iter = 1; iter < size2; iter++) { + const StemCandidate &sc2 = pscs2->at(iter); + int numSeq2 = sc2.GetNumSeq(); + for (int i = 0; i < wordLength; i++) { + + for(int k = 0; k < numSeq2; k++) { +// const Sequence *seq = seqs2->GetSequence(k); + string substr = sc2.GetSubstr(k); + string rvstr = sc2.GetRvstr(k); + + char sChar = substr[i]; + char rChar = rvstr[wordLength - 1 -i]; + + int type = returnBasePairType(sChar, rChar); + ++countConp2[i][type][iter]; + } + } + for(int k = 0; k < numSeq2; k++) { +// const Sequence *seq = seqs2->GetSequence(k); + string substr = sc2.GetSubstr(k); + string rvstr = sc2.GetRvstr(k); + + char sChar = substr[wordLength-1]; + char rChar = rvstr[0]; + + int type = returnBasePairType(sChar, rChar); + ++countContConp2[type][iter]; + + } + } + profileBPPMat1 = makeProfileBPPMatrix(seqs1); + profileBPPMat2 = makeProfileBPPMatrix(seqs2); +} + +void +Globaldp:: +DP() +{ + int nPscs1 = pscs1->size(); + int nPscs2 = pscs2->size(); + + for(int i = 1; i < nPscs1; i++) { + const StemCandidate &sc1 = pscs1->at(i); + + for(int j = 1; j < nPscs2; j++) { + const StemCandidate &sc2 = pscs2->at(j); + + float max = IMPOSSIBLE; + int traceI = 0; + int traceJ = 0; + int alpha = sc1.GetContPos(), beta = sc2.GetContPos(); + if( (alpha > 0) && (beta > 0) ) { + max = VM[alpha][beta] + incrementalScorePSCPair(sc1, sc2); + traceI = alpha; + traceJ = beta; + } + + float similarity = scorePSCPair(sc1, sc2); + int p = sc1.GetBeforePos(), q = sc2.GetBeforePos(); + float tmpScore = VM[p][q] + similarity; +// cout << i << " " << j << " " << p << " " << q << " " << tmpScore << " " << VM[p][q] << " " << similarity << " " << endl; + + if(max <= tmpScore) { + max = tmpScore; + traceI = p; + traceJ = q; + } + + tmpScore = VG[p][q] + similarity; + if(max <= tmpScore) { + max = tmpScore; + traceI = traceGI[p][q]; + traceJ = traceGJ[p][q]; + } + + VM[i][j] = max; + traceMI[i][j] = traceI; + traceMJ[i][j] = traceJ; + + max = VM[i][j-1]; + traceI = i; + traceJ = j-1; + + tmpScore = VM[i-1][j]; + if(max <= tmpScore) { + max = tmpScore; + traceI = i-1; + traceJ = j; + } + + tmpScore = VG[i-1][j]; + if(max <= tmpScore) { + max = tmpScore; + traceI = traceGI[i-1][j]; + traceJ = traceGJ[i-1][j]; + } + + tmpScore = VG[i][j-1]; + if(max <= tmpScore) { + max = tmpScore; + traceI = traceGI[i][j-1]; + traceJ = traceGJ[i][j-1]; + } + + VG[i][j] = max; + traceGI[i][j] = traceI; + traceGJ[i][j] = traceJ; + } + } +} + +float +Globaldp:: +traceBack() +{ + int nPscs1 = pscs1->size(); + int nPscs2 = pscs2->size(); + + float max = IMPOSSIBLE; + int traceI, traceJ; + for (int i = 1; i < nPscs1; i++) { + for (int j = 1; j < nPscs2; j++) { + if(max < VM[i][j]) { + max = VM[i][j]; + traceI = i; + traceJ = j; + } + } + } + + while ( (traceI != 0) && (traceJ != 0) ) { + matchPSCS1->push_back(traceI); matchPSCS2->push_back(traceJ); + int tmpI = traceMI[traceI][traceJ]; + int tmpJ = traceMJ[traceI][traceJ]; + traceI = tmpI; traceJ = tmpJ; + } + + if(traceI != 0 && traceJ != 0) { + std::cout << "error in trace back of pscs:" << traceI << " " << traceJ << endl; + } + + return max; +} + +void +Globaldp:: +printMatch() +{ + int size = matchPSCS1->size(); + for(int iter = 0; iter < size; iter++) { + int i = matchPSCS1->at(iter); + int j = matchPSCS2->at(iter); + + const StemCandidate &sc1 = pscs1->at(i); + const StemCandidate &sc2 = pscs2->at(j); + + std::cout << iter << "\t" << sc1.GetPosition() << "\t" << sc1.GetRvposition() << "\t" << sc2.GetPosition() << "\t" << sc2.GetRvposition() << endl; + } + +} +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/Globaldp.hpp b/binaries/src/mafft/extensions/mxscarna_src/Globaldp.hpp new file mode 100644 index 0000000..ba3e06f --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/Globaldp.hpp @@ -0,0 +1,109 @@ +//////////////////////////////////////////////////////////////// +// Globaldp.hpp +// Global Alignment of two profile computed by SCARNA algorithm +//////////////////////////////////////////////////////////////// + + +#ifndef __GLOBALDP_HPP__ +#define __GLOBALDP_HPP__ + +#include +#include +#include "nrutil.h" +#include "Util.hpp" +#include "Beta.hpp" +#include "scarna.hpp" +#include "StemCandidate.hpp" +#include "MultiSequence.h" +#include "Sequence.h" +#include "BPPMatrix.hpp" + +using namespace ProbCons; +using namespace std; +namespace MXSCARNA { + +typedef std::vector stemcandidate; +class Globaldp { +private: + static double ribosum_matrix[16][16]; + + NRMat VM, VG; + NRMat traceMI, traceMJ, traceGI, traceGJ; + + const stemcandidate *pscs1, *pscs2; + const MultiSequence *seqs1, *seqs2; + std::vector *matchPSCS1, *matchPSCS2; + SafeVector &BPPMatrices; + NRMat posterior; + NRMat3d countConp1, countConp2; + NRMat countContConp1, countContConp2; + Trimat *profileBPPMat1; + Trimat *profileBPPMat2; + float multiDeltaScore; + float multiDeltaStacking; + float multiScore; + float multiStacking; + float multiPenalty; + + float scorePSCPair(const StemCandidate &sc1, const StemCandidate &sc2); + float wordSimilarity(const StemCandidate &sc1, const StemCandidate &sc2, int i, int j); + int returnBasePairType(char s, char r); + float probabilityScore(const StemCandidate &sc1, const StemCandidate &sc2); + float stackingScore(const StemCandidate &sc1, const StemCandidate &sc2); + float distancePenalty(const StemCandidate &sc1, const StemCandidate &sc2); + float incrementalScorePSCPair(const StemCandidate &sc1, const StemCandidate &sc2); + float incrementalProbabilityScore(const StemCandidate &sc1, const StemCandidate &sc2); + float incrementalStackingScore(const StemCandidate &sc1, const StemCandidate &sc2); + float incrementalWordSimilarity(const StemCandidate &sc1, const StemCandidate &sc2, int i, int j); + Trimat* makeProfileBPPMatrix(const MultiSequence *Sequences); + + void Initialize(); + void DP(); + float traceBack(); + void printMatch(); +public: + + Globaldp(const stemcandidate *mypscs1, const stemcandidate *mypscs2, + const MultiSequence *myseqs1, const MultiSequence *myseqs2, + std::vector *matchPSCS1, std::vector *matchPSCS2, + VF *myPosterior, SafeVector &myBPPMatrices, + float myMultiDeltaScore = MULTIDELTASCORE, float myMultiDeltaStacking = MULTIDELTASTACKING, + float myMultiScore = MULTISCORE, float myMultiStacking = MULTISTACKING, + float myMultiPenalty = MULTIPENALTY) + : VM(mypscs1->size(), mypscs2->size()), + VG(mypscs1->size(), mypscs2->size()), + traceMI(mypscs1->size(), mypscs2->size()), + traceMJ(mypscs1->size(), mypscs2->size()), + traceGI(mypscs1->size(), mypscs2->size()), + traceGJ(mypscs1->size(), mypscs2->size()), + pscs1(mypscs1), pscs2(mypscs2), + seqs1(myseqs1), seqs2(myseqs2), + matchPSCS1(matchPSCS1), matchPSCS2(matchPSCS2), + BPPMatrices(myBPPMatrices), posterior(myseqs1->GetSequence(0)->GetLength() + 1, myseqs2->GetSequence(0)->GetLength() + 1), + countConp1(WORDLENGTH, 17, mypscs1->size()+1), countConp2(WORDLENGTH, 17, mypscs2->size()+1), + countContConp1(0, 17, mypscs1->size()+1), countContConp2(0, 17, mypscs2->size()+1), + multiDeltaScore(myMultiDeltaScore), multiDeltaStacking(myMultiDeltaStacking), + multiScore(myMultiScore), multiStacking(myMultiStacking), + multiPenalty(myMultiPenalty) { + + VF::iterator myPosteriorPtr = myPosterior->begin(); + for (int i = 0; i <= seqs1->GetSequence(0)->GetLength(); i++) { + for (int j = 0; j <= seqs2->GetSequence(0)->GetLength(); j++) { + posterior[i][j] = (*myPosteriorPtr)/(seqs1->GetSequence(0)->GetLength()*seqs2->GetSequence(0)->GetLength()); + myPosteriorPtr++; + } + } + } + + + + float Run(); + + void setMultiDeltaScore(float score) { multiDeltaScore = score; } + void setMultiDeltaStacking(float score) { multiDeltaStacking = score; } + void setMultiScore(float score) { multiScore = score; } + void setMultiStacking(float score) { multiStacking = score; } + void setMultiPenalty(float score) { multiPenalty = score; } +}; +} +#endif // __GLOBALDP_HPP__ diff --git a/binaries/src/mafft/extensions/mxscarna_src/Main.cc b/binaries/src/mafft/extensions/mxscarna_src/Main.cc new file mode 100644 index 0000000..75bc632 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/Main.cc @@ -0,0 +1,1872 @@ +///////////////////////////////////////////////////////////////// +// Main.cc +// +// Main routines for MXSCARNA program. +///////////////////////////////////////////////////////////////// + +#include "scarna.hpp" +#include "SafeVector.h" +#include "MultiSequence.h" +#include "Defaults.h" +#include "ScoreType.h" +#include "ProbabilisticModel.h" +#include "EvolutionaryTree.h" +#include "SparseMatrix.h" +#include "BPPMatrix.hpp" +#include "StemCandidate.hpp" +#include "Globaldp.hpp" +#include "nrutil.h" +#include "AlifoldMEA.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +//#include "RfoldWrapper.hpp" +//static RFOLD::Rfold folder; + +using namespace::MXSCARNA; + +string parametersInputFilename = ""; +string parametersOutputFilename = "no training"; +string annotationFilename = ""; +string weboutputFileName = ""; + +ofstream *outputFile; + +bool enableTraining = false; +bool enableVerbose = false; +bool enableAllPairs = false; +bool enableAnnotation = false; +bool enableViterbi = false; +bool enableClustalWOutput = false; +bool enableTrainEmissions = false; +bool enableAlignOrder = false; +bool enableWebOutput = false; +bool enableStockholmOutput = false; +bool enableMXSCARNAOutput = false; +bool enableMcCaskillMEAMode = false; +char bppmode = 's'; // by katoh +int numConsistencyReps = 2; +int numPreTrainingReps = 0; +int numIterativeRefinementReps = 100; +int scsLength = SCSLENGTH; +float cutoff = 0; +float gapOpenPenalty = 0; +float gapContinuePenalty = 0; +float threshhold = 1.0; +float BaseProbThreshold = BASEPROBTHRESHOLD; +float BasePairConst = BASEPAIRCONST; +int BandWidth = BANDWIDTH; + +SafeVector sequenceNames; + +VF initDistrib (NumMatrixTypes); +VF gapOpen (2*NumInsertStates); +VF gapExtend (2*NumInsertStates); +VVF emitPairs (256, VF (256, 1e-10)); +VF emitSingle (256, 1e-5); + +string alphabet = alphabetDefault; + +string *ssCons = NULL; + +const int MIN_PRETRAINING_REPS = 0; +const int MAX_PRETRAINING_REPS = 20; +const int MIN_CONSISTENCY_REPS = 0; +const int MAX_CONSISTENCY_REPS = 5; +const int MIN_ITERATIVE_REFINEMENT_REPS = 0; +const int MAX_ITERATIVE_REFINEMENT_REPS = 1000; + +///////////////////////////////////////////////////////////////// +// Function prototypes +///////////////////////////////////////////////////////////////// + +void PrintHeading(); +void PrintParameters (const char *message, const VF &initDistrib, const VF &gapOpen, + const VF &gapExtend, const VVF &emitPairs, const VF &emitSingle, const char *filename); +MultiSequence *DoAlign (MultiSequence *sequence, const ProbabilisticModel &model, VF &initDistrib, VF &gapOpen, VF &gapExtend, VVF &emitPairs, VF &emitSingle); +SafeVector ParseParams (int argc, char **argv); +void ReadParameters (); +MultiSequence *ComputeFinalAlignment (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, + SafeVector &BPPMatrices); +MultiSequence *AlignAlignments (MultiSequence *align1, MultiSequence *align2, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, SafeVector &BPPMatrices, float identity); +SafeVector > DoRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices); +void Relax (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior); +void Relax1 (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior); +void DoBasePairProbabilityRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices, + SafeVector &BPPMatrices); +set GetSubtree (const TreeNode *tree); +void TreeBasedBiPartitioning (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment, + const TreeNode *tree, SafeVector &BPPMatrices); +void DoIterativeRefinement (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment); +void WriteAnnotation (MultiSequence *alignment, + const SafeVector > &sparseMatrices); +int ComputeScore (const SafeVector > &active, + const SafeVector > &sparseMatrices); +std::vector* seq2scs(MultiSequence *Sequences, SafeVector &BPPMatrices, int BandWidth); +void removeConflicts(std::vector *pscs1, std::vector *pscs2, std::vector *matchPSCS1, std::vector *matchPSCS2); + +struct prob { + int i; + int j; + float p; +}; + +///////////////////////////////////////////////////////////////// +// main() +// +// Calls all initialization routines and runs the MXSCARNA +// aligner. +///////////////////////////////////////////////////////////////// + + +int main (int argc, char **argv){ + + // print MXSCARNA heading + PrintHeading(); + + // parse program parameters + sequenceNames = ParseParams (argc, argv); + ReadParameters(); + PrintParameters ("Using parameter set:", initDistrib, gapOpen, gapExtend, emitPairs, emitSingle, NULL); + + // now, we'll process all the files given as input. If we are given + // several filenames as input, then we'll load all of those sequences + // simultaneously, as long as we're not training. On the other hand, + // if we are training, then we'll treat each file as a separate + // training instance + + if (enableMcCaskillMEAMode) { + MultiSequence *sequences = new MultiSequence(); assert (sequences); + for (int i = 0; i < (int) sequenceNames.size(); i++){ + cerr << "Loading sequence file: " << sequenceNames[i] << endl; + sequences->LoadMFA (sequenceNames[i], true); + } + + const int numSeqs = sequences->GetNumSequences(); + SafeVector BPPMatrices; + + // compute the base pairing matrices for each sequences + for(int i = 0; i < numSeqs; i++) { + Sequence *tmpSeq = sequences->GetSequence(i); + string seq = tmpSeq->GetString(); + int n_seq = tmpSeq->GetLength(); + BPPMatrix *bppmat = new BPPMatrix(bppmode, seq, n_seq); // modified by katoh + BPPMatrices.push_back(bppmat); + } + if (bppmode=='w') exit( 0 ); + + AlifoldMEA alifold(sequences, BPPMatrices, BasePairConst); + alifold.Run(); + ssCons = alifold.getSScons(); + + if (enableStockholmOutput) { + sequences->WriteSTOCKHOLM (cout, ssCons); + } + else if (enableMXSCARNAOutput){ + sequences->WriteMXSCARNA (cout, ssCons); + } + else { + sequences->WriteMFA (cout, ssCons); + } + + delete sequences; + } + // if we are training + else if (enableTraining){ + + // build new model for aligning + ProbabilisticModel model (initDistrib, gapOpen, gapExtend, emitPairs, emitSingle); + + // prepare to average parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] = 0; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] = 0; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] = 0; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] = 0; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] = 0; + } + + // align each file individually + for (int i = 0; i < (int) sequenceNames.size(); i++){ + + VF thisInitDistrib (NumMatrixTypes); + VF thisGapOpen (2*NumInsertStates); + VF thisGapExtend (2*NumInsertStates); + VVF thisEmitPairs (256, VF (256, 1e-10)); + VF thisEmitSingle (256, 1e-5); + + // load sequence file + MultiSequence *sequences = new MultiSequence(); assert (sequences); + cerr << "Loading sequence file: " << sequenceNames[i] << endl; + sequences->LoadMFA (sequenceNames[i], true); + + // align sequences + DoAlign (sequences, model, thisInitDistrib, thisGapOpen, thisGapExtend, thisEmitPairs, thisEmitSingle); + + // add in contribution of the derived parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] += thisInitDistrib[i]; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] += thisGapOpen[i]; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] += thisGapExtend[i]; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] += thisEmitPairs[i][j]; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] += thisEmitSingle[i]; + } + + delete sequences; + } + + // compute new parameters and print them out + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] /= (int) sequenceNames.size(); + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] /= (int) sequenceNames.size(); + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] /= (int) sequenceNames.size(); + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] /= (int) sequenceNames.size(); + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] /= sequenceNames.size(); + } + + PrintParameters ("Trained parameter set:", + initDistrib, gapOpen, gapExtend, emitPairs, emitSingle, + parametersOutputFilename.c_str()); + } + // pass + // if we are not training, we must simply want to align some sequences + else { + // load all files together + MultiSequence *sequences = new MultiSequence(); assert (sequences); + for (int i = 0; i < (int) sequenceNames.size(); i++){ + cerr << "Loading sequence file: " << sequenceNames[i] << endl; + + sequences->LoadMFA (sequenceNames[i], true); + } + + // do all "pre-training" repetitions first + // NOT execute + for (int ct = 0; ct < numPreTrainingReps; ct++){ + enableTraining = true; + + // build new model for aligning + ProbabilisticModel model (initDistrib, gapOpen, gapExtend, + emitPairs, emitSingle); + + // do initial alignments + DoAlign (sequences, model, initDistrib, gapOpen, gapExtend, emitPairs, emitSingle); + + // print new parameters + PrintParameters ("Recomputed parameter set:", initDistrib, gapOpen, gapExtend, emitPairs, emitSingle, NULL); + + enableTraining = false; + } + + // now, we can perform the alignments and write them out + if (enableWebOutput) { + outputFile = new ofstream(weboutputFileName.c_str()); + if (!outputFile) { + cerr << "cannot open output file." << weboutputFileName << endl; + exit(1); + } + *outputFile << "" << endl; + *outputFile << "" << endl; + } + MultiSequence *alignment = DoAlign (sequences, + ProbabilisticModel (initDistrib, gapOpen, gapExtend, emitPairs, emitSingle), + initDistrib, gapOpen, gapExtend, emitPairs, emitSingle); + + + if (!enableAllPairs){ + if (enableClustalWOutput) { + alignment->WriteALN (cout); + } + else if (enableWebOutput) { + alignment->WriteWEB (*outputFile, ssCons); +// computeStructureWithAlifold (); + } + else if (enableStockholmOutput) { + alignment->WriteSTOCKHOLM (cout, ssCons); + } + else if (enableMXSCARNAOutput) { + alignment->WriteMXSCARNA (cout, ssCons); + } + else { + alignment->WriteMFA (cout, ssCons); + } + } + + if (enableWebOutput) { + *outputFile << "" << endl; + delete outputFile; + } + + delete ssCons; + delete alignment; + delete sequences; + + } +} + +///////////////////////////////////////////////////////////////// +// PrintHeading() +// +// Prints heading for PROBCONS program. +///////////////////////////////////////////////////////////////// + +void PrintHeading (){ + cerr << endl + << "Multiplex SCARNA"<< endl + << "version " << VERSION << " - align multiple RNA sequences and print to standard output" << endl + << "Written by Yasuo Tabei" << endl + << endl; +} + +///////////////////////////////////////////////////////////////// +// PrintParameters() +// +// Prints PROBCONS parameters to STDERR. If a filename is +// specified, then the parameters are also written to the file. +///////////////////////////////////////////////////////////////// + +void PrintParameters (const char *message, const VF &initDistrib, const VF &gapOpen, + const VF &gapExtend, const VVF &emitPairs, const VF &emitSingle, const char *filename){ + + // print parameters to the screen + cerr << message << endl + << " initDistrib[] = { "; + for (int i = 0; i < NumMatrixTypes; i++) cerr << setprecision (10) << initDistrib[i] << " "; + cerr << "}" << endl + << " gapOpen[] = { "; + for (int i = 0; i < NumInsertStates*2; i++) cerr << setprecision (10) << gapOpen[i] << " "; + cerr << "}" << endl + << " gapExtend[] = { "; + for (int i = 0; i < NumInsertStates*2; i++) cerr << setprecision (10) << gapExtend[i] << " "; + cerr << "}" << endl + << endl; + + /* + for (int i = 0; i < 5; i++){ + for (int j = 0; j <= i; j++){ + cerr << emitPairs[(unsigned char) alphabet[i]][(unsigned char) alphabet[j]] << " "; + } + cerr << endl; + }*/ + + // if a file name is specified + if (filename){ + + // attempt to open the file for writing + FILE *file = fopen (filename, "w"); + if (!file){ + cerr << "ERROR: Unable to write parameter file: " << filename << endl; + exit (1); + } + + // if successful, then write the parameters to the file + for (int i = 0; i < NumMatrixTypes; i++) fprintf (file, "%.10f ", initDistrib[i]); fprintf (file, "\n"); + for (int i = 0; i < 2*NumInsertStates; i++) fprintf (file, "%.10f ", gapOpen[i]); fprintf (file, "\n"); + for (int i = 0; i < 2*NumInsertStates; i++) fprintf (file, "%.10f ", gapExtend[i]); fprintf (file, "\n"); + fprintf (file, "%s\n", alphabet.c_str()); + for (int i = 0; i < (int) alphabet.size(); i++){ + for (int j = 0; j <= i; j++) + fprintf (file, "%.10f ", emitPairs[(unsigned char) alphabet[i]][(unsigned char) alphabet[j]]); + fprintf (file, "\n"); + } + for (int i = 0; i < (int) alphabet.size(); i++) + fprintf (file, "%.10f ", emitSingle[(unsigned char) alphabet[i]]); + fprintf (file, "\n"); + fclose (file); + } +} + +///////////////////////////////////////////////////////////////// +// DoAlign() +// +// First computes all pairwise posterior probability matrices. +// Then, computes new parameters if training, or a final +// alignment, otherwise. +///////////////////////////////////////////////////////////////// +MultiSequence *DoAlign (MultiSequence *sequences, const ProbabilisticModel &model, VF &initDistrib, VF &gapOpen, VF &gapExtend, VVF &emitPairs, VF &emitSingle){ + + + assert (sequences); + + const int numSeqs = sequences->GetNumSequences(); + VVF distances (numSeqs, VF (numSeqs, 0)); + VVF identities (numSeqs, VF (numSeqs, 0)); + SafeVector > sparseMatrices (numSeqs, SafeVector(numSeqs, NULL)); + + SafeVector BPPMatrices; + + for(int i = 0; i < numSeqs; i++) { + Sequence *tmpSeq = sequences->GetSequence(i); + string seq = tmpSeq->GetString(); + int n_seq = tmpSeq->GetLength(); + BPPMatrix *bppmat = new BPPMatrix(bppmode, seq, n_seq, BASEPROBTHRESHOLD); // modified by katoh + BPPMatrices.push_back(bppmat); + } + + if (enableTraining){ + // prepare to average parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] = 0; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] = 0; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] = 0; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] = 0; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] = 0; + } + } + + // skip posterior calculations if we just want to do Viterbi alignments + if (!enableViterbi){ + + // do all pairwise alignments for posterior probability matrices + for (int a = 0; a < numSeqs-1; a++){ + for (int b = a+1; b < numSeqs; b++){ + Sequence *seq1 = sequences->GetSequence (a); + Sequence *seq2 = sequences->GetSequence (b); + + // verbose output + if (enableVerbose) + cerr << "Computing posterior matrix: (" << a+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << b+1 << ") " << seq2->GetHeader() << " -- "; + + // compute forward and backward probabilities + VF *forward = model.ComputeForwardMatrix (seq1, seq2); assert (forward); + VF *backward = model.ComputeBackwardMatrix (seq1, seq2); assert (backward); + + // if we are training, then we'll simply want to compute the + // expected counts for each region within the matrix separately; + // otherwise, we'll need to put all of the regions together and + // assemble a posterior probability match matrix + + // so, if we're training + if (enableTraining){ + + // compute new parameters + VF thisInitDistrib (NumMatrixTypes); + VF thisGapOpen (2*NumInsertStates); + VF thisGapExtend (2*NumInsertStates); + VVF thisEmitPairs (256, VF (256, 1e-10)); + VF thisEmitSingle (256, 1e-5); + + model.ComputeNewParameters (seq1, seq2, *forward, *backward, thisInitDistrib, thisGapOpen, thisGapExtend, thisEmitPairs, thisEmitSingle, enableTrainEmissions); + + // add in contribution of the derived parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] += thisInitDistrib[i]; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] += thisGapOpen[i]; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] += thisGapExtend[i]; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] += thisEmitPairs[i][j]; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] += thisEmitSingle[i]; + } + + // let us know that we're done. + if (enableVerbose) cerr << "done." << endl; + } + // pass + else { + + // compute posterior probability matrix + VF *posterior = model.ComputePosteriorMatrix (seq1, seq2, *forward, *backward); assert (posterior); + + // compute sparse representations + sparseMatrices[a][b] = new SparseMatrix (seq1->GetLength(), seq2->GetLength(), *posterior); + sparseMatrices[b][a] = NULL; + + if (!enableAllPairs){ + // perform the pairwise sequence alignment + pair *, float> alignment = model.ComputeAlignment (seq1->GetLength(), + seq2->GetLength(), + *posterior); + + Sequence *tmpSeq1 = seq1->AddGaps (alignment.first, 'X'); + Sequence *tmpSeq2 = seq2->AddGaps (alignment.first, 'Y'); + + // compute sequence identity for each pair of sequenceses + int length = tmpSeq1->GetLength(); + int matchCount = 0; + int misMatchCount = 0; + for (int k = 1; k <= length; k++) { + int ch1 = tmpSeq1->GetPosition(k); + int ch2 = tmpSeq2->GetPosition(k); + if (ch1 == ch2 && ch1 != '-' && ch2 != '-') { ++matchCount; } + else if (ch1 != ch2 && ch1 != '-' && ch2 != '-') { ++misMatchCount; } + } + + identities[a][b] = identities[b][a] = (float)matchCount/(float)(matchCount + misMatchCount); + + // compute "expected accuracy" distance for evolutionary tree computation + float distance = alignment.second / min (seq1->GetLength(), seq2->GetLength()); + distances[a][b] = distances[b][a] = distance; + + if (enableVerbose) + cerr << setprecision (10) << distance << endl; + + delete alignment.first; + } + else { + // let us know that we're done. + if (enableVerbose) cerr << "done." << endl; + } + + delete posterior; + } + + delete forward; + delete backward; + } + } + } + + + // now average out parameters derived + if (enableTraining){ + // compute new parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] /= numSeqs * (numSeqs - 1) / 2; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] /= numSeqs * (numSeqs - 1) / 2; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] /= numSeqs * (numSeqs - 1) / 2; + + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] /= numSeqs * (numSeqs - 1) / 2; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] /= numSeqs * (numSeqs - 1) / 2; + } + } + + // see if we still want to do some alignments + else { + // pass + if (!enableViterbi){ + + // perform the consistency transformation the desired number of times + for (int r = 0; r < numConsistencyReps; r++){ + SafeVector > newSparseMatrices = DoRelaxation (sequences, sparseMatrices); + + // now replace the old posterior matrices + for (int i = 0; i < numSeqs; i++){ + for (int j = 0; j < numSeqs; j++){ + delete sparseMatrices[i][j]; + sparseMatrices[i][j] = newSparseMatrices[i][j]; + } + } + } + //if (numSeqs > 8) { + // for (int r = 0; r < 1; r++) + // DoBasePairProbabilityRelaxation(sequences, sparseMatrices, BPPMatrices); + //} + } + + MultiSequence *finalAlignment = NULL; + + if (enableAllPairs){ + for (int a = 0; a < numSeqs-1; a++){ + for (int b = a+1; b < numSeqs; b++){ + Sequence *seq1 = sequences->GetSequence (a); + Sequence *seq2 = sequences->GetSequence (b); + + if (enableVerbose) + cerr << "Performing pairwise alignment: (" << a+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << b+1 << ") " << seq2->GetHeader() << " -- "; + + + // perform the pairwise sequence alignment + pair *, float> alignment; + if (enableViterbi) + alignment = model.ComputeViterbiAlignment (seq1, seq2); + else { + + // build posterior matrix + VF *posterior = sparseMatrices[a][b]->GetPosterior(); assert (posterior); + int length = (seq1->GetLength() + 1) * (seq2->GetLength() + 1); + for (int i = 0; i < length; i++) (*posterior)[i] -= cutoff; + + alignment = model.ComputeAlignment (seq1->GetLength(), seq2->GetLength(), *posterior); + delete posterior; + } + + + // write pairwise alignments + string name = seq1->GetHeader() + "-" + seq2->GetHeader() + (enableClustalWOutput ? ".aln" : ".fasta"); + ofstream outfile (name.c_str()); + + MultiSequence *result = new MultiSequence(); + result->AddSequence (seq1->AddGaps(alignment.first, 'X')); + result->AddSequence (seq2->AddGaps(alignment.first, 'Y')); + result->WriteMFAseq (outfile); // by katoh + + outfile.close(); + + delete alignment.first; + } + } + exit( 0 ); + } + + // now if we still need to do a final multiple alignment + else { + + if (enableVerbose) + cerr << endl; + + // compute the evolutionary tree + TreeNode *tree = TreeNode::ComputeTree (distances, identities); + + if (enableWebOutput) { + *outputFile << "" << endl; + tree->Print (*outputFile, sequences); + *outputFile << "" << endl; + } + else { + tree->Print (cerr, sequences); + cerr << endl; + } + // make the final alignment + finalAlignment = ComputeFinalAlignment (tree, sequences, sparseMatrices, model, BPPMatrices); + + // build annotation + if (enableAnnotation){ + WriteAnnotation (finalAlignment, sparseMatrices); + } + + delete tree; + } + + if (!enableViterbi){ + // delete sparse matrices + for (int a = 0; a < numSeqs-1; a++){ + for (int b = a+1; b < numSeqs; b++){ + delete sparseMatrices[a][b]; + delete sparseMatrices[b][a]; + } + } + } + + //AlifoldMEA alifold(finalAlignment, BPPMatrices, BasePairConst); + //alifold.Run(); + //ssCons = alifold.getSScons(); + + return finalAlignment; + + } + + return NULL; +} + +///////////////////////////////////////////////////////////////// +// GetInteger() +// +// Attempts to parse an integer from the character string given. +// Returns true only if no parsing error occurs. +///////////////////////////////////////////////////////////////// + +bool GetInteger (char *data, int *val){ + char *endPtr; + long int retVal; + + assert (val); + + errno = 0; + retVal = strtol (data, &endPtr, 0); + if (retVal == 0 && (errno != 0 || data == endPtr)) return false; + if (errno != 0 && (retVal == LONG_MAX || retVal == LONG_MIN)) return false; + if (retVal < (long) INT_MIN || retVal > (long) INT_MAX) return false; + *val = (int) retVal; + return true; +} + +///////////////////////////////////////////////////////////////// +// GetFloat() +// +// Attempts to parse a float from the character string given. +// Returns true only if no parsing error occurs. +///////////////////////////////////////////////////////////////// + +bool GetFloat (char *data, float *val){ + char *endPtr; + double retVal; + + assert (val); + + errno = 0; + retVal = strtod (data, &endPtr); + if (retVal == 0 && (errno != 0 || data == endPtr)) return false; + if (errno != 0 && (retVal >= 1000000.0 || retVal <= -1000000.0)) return false; + *val = (float) retVal; + return true; +} + +///////////////////////////////////////////////////////////////// +// ParseParams() +// +// Parse all command-line options. +///////////////////////////////////////////////////////////////// + +SafeVector ParseParams (int argc, char **argv){ + + if (argc < 2){ + + cerr << "MXSCARNA comes with ABSOLUTELY NO WARRANTY. This is free software, and" << endl + << "you are welcome to redistribute it under certain conditions. See the" << endl + << "file COPYING.txt for details." << endl + << endl + << "Usage:" << endl + << " mxscarna [OPTION]... [MFAFILE]..." << endl + << endl + << "Description:" << endl + << " Align sequences in MFAFILE(s) and print result to standard output" << endl + << endl + << " -clustalw" << endl + << " use CLUSTALW output format instead of MFA" << endl + << endl + << " -stockholm" << endl + << " use STOCKHOLM output format instead of MFA" << endl + << endl + << " -mxscarna" << endl + << " use MXSCARNA output format instead of MFA" << endl + << endl + << " -weboutput //" << endl + << " use web output format" << endl + << endl + << " -c, --consistency REPS" << endl + << " use " << MIN_CONSISTENCY_REPS << " <= REPS <= " << MAX_CONSISTENCY_REPS + << " (default: " << numConsistencyReps << ") passes of consistency transformation" << endl + << endl + << " -ir, --iterative-refinement REPS" << endl + << " use " << MIN_ITERATIVE_REFINEMENT_REPS << " <= REPS <= " << MAX_ITERATIVE_REFINEMENT_REPS + << " (default: " << numIterativeRefinementReps << ") passes of iterative-refinement" << endl + << endl + << " -pre, --pre-training REPS" << endl + << " use " << MIN_PRETRAINING_REPS << " <= REPS <= " << MAX_PRETRAINING_REPS + << " (default: " << numPreTrainingReps << ") rounds of pretraining" << endl + << endl + << " -pairs" << endl + << " generate all-pairs pairwise alignments" << endl + << endl + << " -viterbi" << endl + << " use Viterbi algorithm to generate all pairs (automatically enables -pairs)" << endl + << endl + << " -v, --verbose" << endl + << " report progress while aligning (default: " << (enableVerbose ? "on" : "off") << ")" << endl + << endl + << " -annot FILENAME" << endl + << " write annotation for multiple alignment to FILENAME" << endl + << endl + << " -t, --train FILENAME" << endl + << " compute EM transition probabilities, store in FILENAME (default: " + << parametersOutputFilename << ")" << endl + << endl + << " -e, --emissions" << endl + << " also reestimate emission probabilities (default: " + << (enableTrainEmissions ? "on" : "off") << ")" << endl + << endl + << " -p, --paramfile FILENAME" << endl + << " read parameters from FILENAME (default: " + << parametersInputFilename << ")" << endl + << endl + << " -a, --alignment-order" << endl + << " print sequences in alignment order rather than input order (default: " + << (enableAlignOrder ? "on" : "off") << ")" << endl + << endl + << " -s THRESHOLD" << endl + << " the threshold of SCS alignment" << endl + << endl + << " In default, for less than " << threshhold << ", the SCS aligment is applied. " << endl + << " -l SCSLENGTH" << endl + << " the length of stem candidates " << SCSLENGTH << endl + << endl + << " -b BASEPROBTRHESHHOLD" << endl + << " the threshold of base pairing probability " << BASEPROBTHRESHOLD << endl + << endl + << " -m, --mccaskillmea" << endl + << " McCaskill MEA MODE: input the clustalw format file and output the secondary structure predicted by McCaskill MEA" << endl + << endl + << " -g BASEPAIRSCORECONST" << endl + << " the control parameter of the prediction of base pairs, default:" << BasePairConst << endl + << endl + << " -w BANDWIDTH" << endl + << " the control parameter of the distance of stem candidates, default:" << BANDWIDTH << endl + << endl; + + + // << " -go, --gap-open VALUE" << endl + // << " gap opening penalty of VALUE <= 0 (default: " << gapOpenPenalty << ")" << endl + // << endl + // << " -ge, --gap-extension VALUE" << endl + // << " gap extension penalty of VALUE <= 0 (default: " << gapContinuePenalty << ")" << endl + // << endl + // << " -co, --cutoff CUTOFF" << endl + // << " subtract 0 <= CUTOFF <= 1 (default: " << cutoff << ") from all posterior values before final alignment" << endl + // << endl + + exit (1); + } + + SafeVector sequenceNames; + int tempInt; + float tempFloat; + + for (int i = 1; i < argc; i++){ + if (argv[i][0] == '-'){ + + // training + if (!strcmp (argv[i], "-t") || !strcmp (argv[i], "--train")){ + enableTraining = true; + if (i < argc - 1) + parametersOutputFilename = string (argv[++i]); + else { + cerr << "ERROR: Filename expected for option " << argv[i] << endl; + exit (1); + } + } + + // emission training + else if (!strcmp (argv[i], "-e") || !strcmp (argv[i], "--emissions")){ + enableTrainEmissions = true; + } + + // parameter file + else if (!strcmp (argv[i], "-p") || !strcmp (argv[i], "--paramfile")){ + if (i < argc - 1) + parametersInputFilename = string (argv[++i]); + else { + cerr << "ERROR: Filename expected for option " << argv[i] << endl; + exit (1); + } + } + else if (! strcmp (argv[i], "-s")) { + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be nagative." << endl; + exit (1); + } + else + threshhold = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + else if (! strcmp (argv[i], "-l")) { + if (i < argc - 1) { + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt <= 0 || 6 <= tempInt) { + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << "1 and 6" << "." << endl; + exit (1); + } + else + scsLength = tempInt; + } + } + } + else if (! strcmp (argv[i], "-b")) { + if (i < argc - 1) { + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0 && 1 < tempFloat) { + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be nagative." << endl; + exit (1); + } + else + BaseProbThreshold = tempFloat; + } + } + } + else if (! strcmp (argv[i], "-g")) { + if (i < argc - 1) { + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0 && 1 < tempFloat) { + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be nagative." << endl; + exit (1); + } + else + BasePairConst = tempFloat; + } + } + } + + // number of consistency transformations + else if (!strcmp (argv[i], "-c") || !strcmp (argv[i], "--consistency")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_CONSISTENCY_REPS || tempInt > MAX_CONSISTENCY_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_CONSISTENCY_REPS << " and " << MAX_CONSISTENCY_REPS << "." << endl; + exit (1); + } + else + numConsistencyReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // number of randomized partitioning iterative refinement passes + else if (!strcmp (argv[i], "-ir") || !strcmp (argv[i], "--iterative-refinement")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_ITERATIVE_REFINEMENT_REPS || tempInt > MAX_ITERATIVE_REFINEMENT_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_ITERATIVE_REFINEMENT_REPS << " and " << MAX_ITERATIVE_REFINEMENT_REPS << "." << endl; + exit (1); + } + else + numIterativeRefinementReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + // number of EM pre-training rounds + else if (!strcmp (argv[i], "-pre") || !strcmp (argv[i], "--pre-training")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_PRETRAINING_REPS || tempInt > MAX_PRETRAINING_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_PRETRAINING_REPS << " and " << MAX_PRETRAINING_REPS << "." << endl; + exit (1); + } + else + numPreTrainingReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // the distance of stem candidate + else if (!strcmp (argv[i], "-w")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + BandWidth = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // gap open penalty + else if (!strcmp (argv[i], "-go") || !strcmp (argv[i], "--gap-open")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat > 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be positive." << endl; + exit (1); + } + else + gapOpenPenalty = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // gap extension penalty + else if (!strcmp (argv[i], "-ge") || !strcmp (argv[i], "--gap-extension")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat > 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be positive." << endl; + exit (1); + } + else + gapContinuePenalty = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // all-pairs pairwise alignments + else if (!strcmp (argv[i], "-pairs")){ + enableAllPairs = true; + } + + // all-pairs pairwise Viterbi alignments + else if (!strcmp (argv[i], "-viterbi")){ + enableAllPairs = true; + enableViterbi = true; + } + + // read base-pairing probability from the '_bpp' file, by katoh + else if (!strcmp (argv[i], "-readbpp")){ + bppmode = 'r'; + } + + // write base-pairing probability to stdout, by katoh + else if (!strcmp (argv[i], "-writebpp")){ + bppmode = 'w'; + } + + // annotation files + else if (!strcmp (argv[i], "-annot")){ + enableAnnotation = true; + if (i < argc - 1) + annotationFilename = argv[++i]; + else { + cerr << "ERROR: FILENAME expected for option " << argv[i] << endl; + exit (1); + } + } + + // clustalw output format + else if (!strcmp (argv[i], "-clustalw")){ + enableClustalWOutput = true; + } + // mxscarna output format + else if (!strcmp (argv[i], "-mxscarna")) { + enableMXSCARNAOutput = true; + } + // stockholm output format + else if (!strcmp (argv[i], "-stockholm")) { + enableStockholmOutput = true; + } + // web output format + else if (!strcmp (argv[i], "-weboutput")) { + if (i < argc - 1) { + weboutputFileName = string(argv[++i]); + } + else { + cerr << "ERROR: Invalid following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + + enableWebOutput = true; + } + + // cutoff + else if (!strcmp (argv[i], "-co") || !strcmp (argv[i], "--cutoff")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0 || tempFloat > 1){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must be between 0 and 1." << endl; + exit (1); + } + else + cutoff = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // verbose reporting + else if (!strcmp (argv[i], "-v") || !strcmp (argv[i], "--verbose")){ + enableVerbose = true; + } + + // alignment order + else if (!strcmp (argv[i], "-a") || !strcmp (argv[i], "--alignment-order")){ + enableAlignOrder = true; + } + // McCaskill MEA MODE + else if (!strcmp (argv[i], "-m") || !strcmp (argv[i], "--mccaskillmea")){ + enableMcCaskillMEAMode = true; + } + // bad arguments + else { + cerr << "ERROR: Unrecognized option: " << argv[i] << endl; + exit (1); + } + } + else { + sequenceNames.push_back (string (argv[i])); + } + } + + if (enableTrainEmissions && !enableTraining){ + cerr << "ERROR: Training emissions (-e) requires training (-t)" << endl; + exit (1); + } + + return sequenceNames; +} + +///////////////////////////////////////////////////////////////// +// ReadParameters() +// +// Read initial distribution, transition, and emission +// parameters from a file. +///////////////////////////////////////////////////////////////// + +void ReadParameters (){ + + ifstream data; + + emitPairs = VVF (256, VF (256, 1e-10)); + emitSingle = VF (256, 1e-5); + + // read initial state distribution and transition parameters + // pass + if (parametersInputFilename == string ("")){ + if (NumInsertStates == 1){ + for (int i = 0; i < NumMatrixTypes; i++) initDistrib[i] = initDistrib1Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapOpen[i] = gapOpen1Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapExtend[i] = gapExtend1Default[i]; + } + else if (NumInsertStates == 2){ + for (int i = 0; i < NumMatrixTypes; i++) initDistrib[i] = initDistrib2Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapOpen[i] = gapOpen2Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapExtend[i] = gapExtend2Default[i]; + } + else { + cerr << "ERROR: No default initial distribution/parameter settings exist" << endl + << " for " << NumInsertStates << " pairs of insert states. Use --paramfile." << endl; + exit (1); + } + + alphabet = alphabetDefault; + + for (int i = 0; i < (int) alphabet.length(); i++){ + emitSingle[(unsigned char) tolower(alphabet[i])] = emitSingleDefault[i]; + emitSingle[(unsigned char) toupper(alphabet[i])] = emitSingleDefault[i]; + for (int j = 0; j <= i; j++){ + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) tolower(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) toupper(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) tolower(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) toupper(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) tolower(alphabet[i])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) toupper(alphabet[i])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) tolower(alphabet[i])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) toupper(alphabet[i])] = emitPairsDefault[i][j]; + } + } + } + else { + data.open (parametersInputFilename.c_str()); + if (data.fail()){ + cerr << "ERROR: Unable to read parameter file: " << parametersInputFilename << endl; + exit (1); + } + + string line[3]; + for (int i = 0; i < 3; i++){ + if (!getline (data, line[i])){ + cerr << "ERROR: Unable to read transition parameters from parameter file: " << parametersInputFilename << endl; + exit (1); + } + } + istringstream data2; + data2.clear(); data2.str (line[0]); for (int i = 0; i < NumMatrixTypes; i++) data2 >> initDistrib[i]; + data2.clear(); data2.str (line[1]); for (int i = 0; i < 2*NumInsertStates; i++) data2 >> gapOpen[i]; + data2.clear(); data2.str (line[2]); for (int i = 0; i < 2*NumInsertStates; i++) data2 >> gapExtend[i]; + + if (!getline (data, line[0])){ + cerr << "ERROR: Unable to read alphabet from scoring matrix file: " << parametersInputFilename << endl; + exit (1); + } + + // read alphabet as concatenation of all characters on alphabet line + alphabet = ""; + string token; + data2.clear(); data2.str (line[0]); while (data2 >> token) alphabet += token; + + for (int i = 0; i < (int) alphabet.size(); i++){ + for (int j = 0; j <= i; j++){ + float val; + data >> val; + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) tolower(alphabet[j])] = val; + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) toupper(alphabet[j])] = val; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) tolower(alphabet[j])] = val; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) toupper(alphabet[j])] = val; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) tolower(alphabet[i])] = val; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) toupper(alphabet[i])] = val; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) tolower(alphabet[i])] = val; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) toupper(alphabet[i])] = val; + } + } + + for (int i = 0; i < (int) alphabet.size(); i++){ + float val; + data >> val; + emitSingle[(unsigned char) tolower(alphabet[i])] = val; + emitSingle[(unsigned char) toupper(alphabet[i])] = val; + } + data.close(); + } +} + +///////////////////////////////////////////////////////////////// +// ProcessTree() +// +// Process the tree recursively. Returns the aligned sequences +// corresponding to a node or leaf of the tree. +///////////////////////////////////////////////////////////////// +float ide; +MultiSequence *ProcessTree (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, SafeVector &BPPMatrices) { + MultiSequence *result; + + // check if this is a node of the alignment tree + if (tree->GetSequenceLabel() == -1){ + MultiSequence *alignLeft = ProcessTree (tree->GetLeftChild(), sequences, sparseMatrices, model, BPPMatrices); + MultiSequence *alignRight = ProcessTree (tree->GetRightChild(), sequences, sparseMatrices, model, BPPMatrices); + + assert (alignLeft); + assert (alignRight); + + result = AlignAlignments (alignLeft, alignRight, sparseMatrices, model, BPPMatrices, tree->GetIdentity()); + assert (result); + + delete alignLeft; + delete alignRight; + } + + // otherwise, this is a leaf of the alignment tree + else { + result = new MultiSequence(); assert (result); + result->AddSequence (sequences->GetSequence(tree->GetSequenceLabel())->Clone()); + } + + return result; +} + +///////////////////////////////////////////////////////////////// +// ComputeFinalAlignment() +// +// Compute the final alignment by calling ProcessTree(), then +// performing iterative refinement as needed. +///////////////////////////////////////////////////////////////// + +MultiSequence *ComputeFinalAlignment (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, + SafeVector &BPPMatrices) { + + MultiSequence *alignment = ProcessTree (tree, sequences, sparseMatrices, model, BPPMatrices); + + if (enableAlignOrder){ + alignment->SaveOrdering(); + enableAlignOrder = false; + } + + // tree-based refinement + // if you use the function, you can degrade the quality of the software. + // TreeBasedBiPartitioning (sparseMatrices, model, alignment, tree, BPPMatrices); + + // iterative refinement +/* + for (int i = 0; i < numIterativeRefinementReps; i++) + DoIterativeRefinement (sparseMatrices, model, alignment); + + cerr << endl; +*/ + // return final alignment + return alignment; +} + +///////////////////////////////////////////////////////////////// +// AlignAlignments() +// +// Returns the alignment of two MultiSequence objects. +///////////////////////////////////////////////////////////////// + +MultiSequence *AlignAlignments (MultiSequence *align1, MultiSequence *align2, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, + SafeVector &BPPMatrices, float identity){ + + // print some info about the alignment + if (enableVerbose){ + for (int i = 0; i < align1->GetNumSequences(); i++) + cerr << ((i==0) ? "[" : ",") << align1->GetSequence(i)->GetLabel(); + cerr << "] vs. "; + for (int i = 0; i < align2->GetNumSequences(); i++) + cerr << ((i==0) ? "[" : ",") << align2->GetSequence(i)->GetLabel(); + cerr << "]: "; + } + + VF *posterior = model.BuildPosterior (align1, align2, sparseMatrices, cutoff); + + pair *, float> alignment; + // choose the alignment routine depending on the "cosmetic" gap penalties used + if (gapOpenPenalty == 0 && gapContinuePenalty == 0) { + + if(identity <= threshhold) { + std::vector *pscs1, *pscs2; + pscs1 = seq2scs(align1, BPPMatrices, BandWidth); + pscs2 = seq2scs(align2, BPPMatrices, BandWidth); + std::vector *matchPSCS1 = new std::vector; + std::vector *matchPSCS2 = new std::vector; + + Globaldp globaldp(pscs1, pscs2, align1, align2, matchPSCS1, matchPSCS2, posterior, BPPMatrices); + //float scsScore = globaldp.Run(); + + globaldp.Run(); + + removeConflicts(pscs1, pscs2, matchPSCS1, matchPSCS2); + + alignment = model.ComputeAlignment2 (align1->GetSequence(0)->GetLength(), align2->GetSequence(0)->GetLength(), *posterior, pscs1, pscs2, matchPSCS1, matchPSCS2); + delete matchPSCS1; + delete matchPSCS2; + } else { + alignment = model.ComputeAlignment (align1->GetSequence(0)->GetLength(), align2->GetSequence(0)->GetLength(), *posterior); + } + } + else { + alignment = model.ComputeAlignmentWithGapPenalties (align1, align2, + *posterior, align1->GetNumSequences(), align2->GetNumSequences(), + gapOpenPenalty, gapContinuePenalty); + } + + delete posterior; + + if (enableVerbose){ + + // compute total length of sequences + int totLength = 0; + for (int i = 0; i < align1->GetNumSequences(); i++) + for (int j = 0; j < align2->GetNumSequences(); j++) + totLength += min (align1->GetSequence(i)->GetLength(), align2->GetSequence(j)->GetLength()); + + // give an "accuracy" measure for the alignment + cerr << alignment.second / totLength << endl; + } + + // now build final alignment + MultiSequence *result = new MultiSequence(); + for (int i = 0; i < align1->GetNumSequences(); i++) + result->AddSequence (align1->GetSequence(i)->AddGaps(alignment.first, 'X')); + for (int i = 0; i < align2->GetNumSequences(); i++) + result->AddSequence (align2->GetSequence(i)->AddGaps(alignment.first, 'Y')); + if (!enableAlignOrder) + result->SortByLabel(); + + // free temporary alignment + delete alignment.first; + + return result; +} + +///////////////////////////////////////////////////////////////// +// DoRelaxation() +// +// Performs one round of the consistency transformation. The +// formula used is: +// 1 +// P'(x[i]-y[j]) = --- sum sum P(x[i]-z[k]) P(z[k]-y[j]) +// |S| z in S k +// +// where S = {x, y, all other sequences...} +// +///////////////////////////////////////////////////////////////// + +SafeVector > DoRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices){ + const int numSeqs = sequences->GetNumSequences(); + + SafeVector > newSparseMatrices (numSeqs, SafeVector(numSeqs, NULL)); + + // for every pair of sequences + for (int i = 0; i < numSeqs; i++){ + for (int j = i+1; j < numSeqs; j++){ + Sequence *seq1 = sequences->GetSequence (i); + Sequence *seq2 = sequences->GetSequence (j); + + if (enableVerbose) + cerr << "Relaxing (" << i+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << j+1 << ") " << seq2->GetHeader() << ": "; + + // get the original posterior matrix + VF *posteriorPtr = sparseMatrices[i][j]->GetPosterior(); assert (posteriorPtr); + VF &posterior = *posteriorPtr; + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + + // contribution from the summation where z = x and z = y + for (int k = 0; k < (seq1Length+1) * (seq2Length+1); k++) posterior[k] += posterior[k]; + + if (enableVerbose) + cerr << sparseMatrices[i][j]->GetNumCells() << " --> "; + + // contribution from all other sequences + for (int k = 0; k < numSeqs; k++) if (k != i && k != j){ + if (k < i) + Relax1 (sparseMatrices[k][i], sparseMatrices[k][j], posterior); + else if (k > i && k < j) + Relax (sparseMatrices[i][k], sparseMatrices[k][j], posterior); + else { + SparseMatrix *temp = sparseMatrices[j][k]->ComputeTranspose(); + Relax (sparseMatrices[i][k], temp, posterior); + delete temp; + } + } + + // now renormalization + for (int k = 0; k < (seq1Length+1) * (seq2Length+1); k++) posterior[k] /= numSeqs; + + // mask out positions not originally in the posterior matrix + SparseMatrix *matXY = sparseMatrices[i][j]; + for (int y = 0; y <= seq2Length; y++) posterior[y] = 0; + for (int x = 1; x <= seq1Length; x++){ + SafeVector::iterator XYptr = matXY->GetRowPtr(x); + SafeVector::iterator XYend = XYptr + matXY->GetRowSize(x); + VF::iterator base = posterior.begin() + x * (seq2Length + 1); + int curr = 0; + while (XYptr != XYend){ + + // zero out all cells until the first filled column + while (curr < XYptr->first){ + base[curr] = 0; + curr++; + } + + // now, skip over this column + curr++; + ++XYptr; + } + + // zero out cells after last column + while (curr <= seq2Length){ + base[curr] = 0; + curr++; + } + } + + // save the new posterior matrix + newSparseMatrices[i][j] = new SparseMatrix (seq1->GetLength(), seq2->GetLength(), posterior); + newSparseMatrices[j][i] = NULL; + + if (enableVerbose) + cerr << newSparseMatrices[i][j]->GetNumCells() << " -- "; + + delete posteriorPtr; + + if (enableVerbose) + cerr << "done." << endl; + } + } + + return newSparseMatrices; +} + +///////////////////////////////////////////////////////////////// +// Relax() +// +// Computes the consistency transformation for a single sequence +// z, and adds the transformed matrix to "posterior". +///////////////////////////////////////////////////////////////// + +void Relax (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior){ + + assert (matXZ); + assert (matZY); + + int lengthX = matXZ->GetSeq1Length(); + int lengthY = matZY->GetSeq2Length(); + assert (matXZ->GetSeq2Length() == matZY->GetSeq1Length()); + + // for every x[i] + for (int i = 1; i <= lengthX; i++){ + SafeVector::iterator XZptr = matXZ->GetRowPtr(i); + SafeVector::iterator XZend = XZptr + matXZ->GetRowSize(i); + + VF::iterator base = posterior.begin() + i * (lengthY + 1); + + // iterate through all x[i]-z[k] + while (XZptr != XZend){ + SafeVector::iterator ZYptr = matZY->GetRowPtr(XZptr->first); + SafeVector::iterator ZYend = ZYptr + matZY->GetRowSize(XZptr->first); + const float XZval = XZptr->second; + + // iterate through all z[k]-y[j] + while (ZYptr != ZYend){ + base[ZYptr->first] += XZval * ZYptr->second; + ZYptr++; + } + XZptr++; + } + } +} + +///////////////////////////////////////////////////////////////// +// Relax1() +// +// Computes the consistency transformation for a single sequence +// z, and adds the transformed matrix to "posterior". +///////////////////////////////////////////////////////////////// + +void Relax1 (SparseMatrix *matZX, SparseMatrix *matZY, VF &posterior){ + + assert (matZX); + assert (matZY); + + int lengthZ = matZX->GetSeq1Length(); + int lengthY = matZY->GetSeq2Length(); + + // for every z[k] + for (int k = 1; k <= lengthZ; k++){ + SafeVector::iterator ZXptr = matZX->GetRowPtr(k); + SafeVector::iterator ZXend = ZXptr + matZX->GetRowSize(k); + + // iterate through all z[k]-x[i] + while (ZXptr != ZXend){ + SafeVector::iterator ZYptr = matZY->GetRowPtr(k); + SafeVector::iterator ZYend = ZYptr + matZY->GetRowSize(k); + const float ZXval = ZXptr->second; + VF::iterator base = posterior.begin() + ZXptr->first * (lengthY + 1); + + // iterate through all z[k]-y[j] + while (ZYptr != ZYend){ + base[ZYptr->first] += ZXval * ZYptr->second; + ZYptr++; + } + ZXptr++; + } + } +} + +void DoBasePairProbabilityRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices, + SafeVector &BPPMatrices) { + const int numSeqs = sequences->GetNumSequences(); + + for (int i = 0; i < numSeqs; i++) { + Sequence *seq1 = sequences->GetSequence (i); + BPPMatrix *seq1BppMatrix = BPPMatrices[seq1->GetLabel()]; + Trimat consBppMat(seq1->GetLength() + 1); + int seq1Length = seq1->GetLength(); + + for (int k = 1; k <= seq1Length; k++) { + for (int l = k; l <= seq1Length; l++) { + consBppMat.ref(k, l) = seq1BppMatrix->GetProb(k, l); + } + } + + for (int j = i + 1; j < numSeqs; j++) { + + // VF *posteriorPtr = sparseMatrices[i][j]->GetPosterior() + Sequence *seq2 = sequences->GetSequence (j); + BPPMatrix *seq2BppMatrix = BPPMatrices[seq2->GetLabel()]; +// int seq2Length = seq2->GetLength(); + SparseMatrix *matchProb = sparseMatrices[i][j]; + +// vector &probs1 = seq1BppMatrix->bppMat.data2; + for(int k = 1; k <= seq1Length; k++) { + for(int m = k, n = k; n <= k + 200 && m >= 1 && n <= seq1Length; m--, n++) { + +// for (int k = 0; k < (int)probs1.size(); k++) { +// float tmpProb1 = probs1[k].prob; +// int tmp1I = probs1[k].i; +// int tmp1J = probs1[k].j; + + float sumProb = 0; + vector &probs2 = seq2BppMatrix->bppMat.data2; + for(int l = 0; l < (int)probs2.size(); l++) { + float tmpProb2 = probs2[l].prob; + int tmp2I = probs2[l].i; + int tmp2J = probs2[l].j; + sumProb += matchProb->GetValue(m, tmp2I)*matchProb->GetValue(n, tmp2J)*tmpProb2; + } + + consBppMat.ref(m, n) += sumProb; + } + + for(int m = k, n = k + 1; n <= k + 200 && m >= 1 && n <= seq1Length; m--, n++) { + +// for (int k = 0; k < (int)probs1.size(); k++) { +// float tmpProb1 = probs1[k].prob; +// int tmp1I = probs1[k].i; +// int tmp1J = probs1[k].j; + + float sumProb = 0; + vector &probs2 = seq2BppMatrix->bppMat.data2; + for(int l = 0; l < (int)probs2.size(); l++) { + float tmpProb2 = probs2[l].prob; + int tmp2I = probs2[l].i; + int tmp2J = probs2[l].j; + sumProb += matchProb->GetValue(m, tmp2I)*matchProb->GetValue(n, tmp2J)*tmpProb2; + } + + consBppMat.ref(m, n) += sumProb; + } + } + } + +/* + for(int k = 1; k <= seq1Length; k++) { + for(int m = k, n = k; n <= k + 30 && m >= 1 && n <= seq1Length; m--, n++) { + float tmpProb = seq1BppMatrix->GetProb(m, n); + for(int l = 1; l <= seq2Length; l++) { + for(int s = l, t = l; t <= l + 30 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + for(int s = l, t = l + 1; t <= l + 31 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + } + consBppMat.ref(m, n) += tmpProb; + } + + for(int m = k, n = k + 1; n <= k + 31 && m >= 1 && n <= seq1Length; m--, n++) { + float tmpProb = seq1BppMatrix->GetProb(m, n); + for(int l = 1; l <= seq2Length; l++) { + for(int s = l, t = l; t <= l + 30 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + for(int s = l, t = l + 1; t <= l + 31 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + } + consBppMat.ref(m,n) += tmpProb; + } + } + } +*/ + for (int m = 1; m <= seq1Length; m++) { + for (int n = m + 4; n <= seq1Length; n++) { + consBppMat.ref(m,n) = consBppMat.ref(m,n)/(float)numSeqs; + } + } + seq1BppMatrix->updateBPPMatrix(consBppMat); + } +} + +///////////////////////////////////////////////////////////////// +// GetSubtree +// +// Returns set containing all leaf labels of the current subtree. +///////////////////////////////////////////////////////////////// + +set GetSubtree (const TreeNode *tree){ + set s; + + if (tree->GetSequenceLabel() == -1){ + s = GetSubtree (tree->GetLeftChild()); + set t = GetSubtree (tree->GetRightChild()); + + for (set::iterator iter = t.begin(); iter != t.end(); ++iter) + s.insert (*iter); + } + else { + s.insert (tree->GetSequenceLabel()); + } + + return s; +} + +///////////////////////////////////////////////////////////////// +// TreeBasedBiPartitioning +// +// Uses the iterative refinement scheme from MUSCLE. +///////////////////////////////////////////////////////////////// + +void TreeBasedBiPartitioning (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment, + const TreeNode *tree, SafeVector &BPPMatrices){ + // check if this is a node of the alignment tree + if (tree->GetSequenceLabel() == -1){ + TreeBasedBiPartitioning (sparseMatrices, model, alignment, tree->GetLeftChild(), BPPMatrices); + TreeBasedBiPartitioning (sparseMatrices, model, alignment, tree->GetRightChild(), BPPMatrices); + + set leftSubtree = GetSubtree (tree->GetLeftChild()); + set rightSubtree = GetSubtree (tree->GetRightChild()); + set leftSubtreeComplement, rightSubtreeComplement; + + // calculate complement of each subtree + for (int i = 0; i < alignment->GetNumSequences(); i++){ + if (leftSubtree.find(i) == leftSubtree.end()) leftSubtreeComplement.insert (i); + if (rightSubtree.find(i) == rightSubtree.end()) rightSubtreeComplement.insert (i); + } + + // perform realignments for edge to left child + if (!leftSubtree.empty() && !leftSubtreeComplement.empty()){ + MultiSequence *groupOneSeqs = alignment->Project (leftSubtree); assert (groupOneSeqs); + MultiSequence *groupTwoSeqs = alignment->Project (leftSubtreeComplement); assert (groupTwoSeqs); + delete alignment; + alignment = AlignAlignments (groupOneSeqs, groupTwoSeqs, sparseMatrices, model, BPPMatrices, tree->GetLeftChild()->GetIdentity()); + } + + // perform realignments for edge to right child + if (!rightSubtree.empty() && !rightSubtreeComplement.empty()){ + MultiSequence *groupOneSeqs = alignment->Project (rightSubtree); assert (groupOneSeqs); + MultiSequence *groupTwoSeqs = alignment->Project (rightSubtreeComplement); assert (groupTwoSeqs); + delete alignment; + alignment = AlignAlignments (groupOneSeqs, groupTwoSeqs, sparseMatrices, model, BPPMatrices, tree->GetRightChild()->GetIdentity()); + } + } +} + +///////////////////////////////////////////////////////////////// +// DoterativeRefinement() +// +// Performs a single round of randomized partionining iterative +// refinement. +///////////////////////////////////////////////////////////////// +/* +void DoIterativeRefinement (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment){ + set groupOne, groupTwo; + + // create two separate groups + for (int i = 0; i < alignment->GetNumSequences(); i++){ + if (rand() % 2) + groupOne.insert (i); + else + groupTwo.insert (i); + } + + if (groupOne.empty() || groupTwo.empty()) return; + + // project into the two groups + MultiSequence *groupOneSeqs = alignment->Project (groupOne); assert (groupOneSeqs); + MultiSequence *groupTwoSeqs = alignment->Project (groupTwo); assert (groupTwoSeqs); + delete alignment; + + // realign + alignment = AlignAlignments (groupOneSeqs, groupTwoSeqs, sparseMatrices, model); + + delete groupOneSeqs; + delete groupTwoSeqs; +} +*/ + +///////////////////////////////////////////////////////////////// +// WriteAnnotation() +// +// Computes annotation for multiple alignment and write values +// to a file. +///////////////////////////////////////////////////////////////// + +void WriteAnnotation (MultiSequence *alignment, + const SafeVector > &sparseMatrices){ + ofstream outfile (annotationFilename.c_str()); + + if (outfile.fail()){ + cerr << "ERROR: Unable to write annotation file." << endl; + exit (1); + } + + const int alignLength = alignment->GetSequence(0)->GetLength(); + const int numSeqs = alignment->GetNumSequences(); + + SafeVector position (numSeqs, 0); + SafeVector::iterator> seqs (numSeqs); + for (int i = 0; i < numSeqs; i++) seqs[i] = alignment->GetSequence(i)->GetDataPtr(); + SafeVector > active; + active.reserve (numSeqs); + + // for every column + for (int i = 1; i <= alignLength; i++){ + + // find all aligned residues in this particular column + active.clear(); + for (int j = 0; j < numSeqs; j++){ + if (seqs[j][i] != '-'){ + active.push_back (make_pair(j, ++position[j])); + } + } + + outfile << setw(4) << ComputeScore (active, sparseMatrices) << endl; + } + + outfile.close(); +} + +///////////////////////////////////////////////////////////////// +// ComputeScore() +// +// Computes the annotation score for a particular column. +///////////////////////////////////////////////////////////////// + +int ComputeScore (const SafeVector > &active, + const SafeVector > &sparseMatrices){ + + if (active.size() <= 1) return 0; + + // ALTERNATIVE #1: Compute the average alignment score. + + float val = 0; + for (int i = 0; i < (int) active.size(); i++){ + for (int j = i+1; j < (int) active.size(); j++){ + val += sparseMatrices[active[i].first][active[j].first]->GetValue(active[i].second, active[j].second); + } + } + + return (int) (200 * val / ((int) active.size() * ((int) active.size() - 1))); + +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/Makefile b/binaries/src/mafft/extensions/mxscarna_src/Makefile new file mode 100644 index 0000000..359e15b --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/Makefile @@ -0,0 +1,76 @@ +################################################################################ +# Makefile for probcons +################################################################################ + +################################################################################ +# 1) Choose C++ compiler. +################################################################################ + +CXX = g++ + +################################################################################ +# 2) Set C++ flags. +# a) DEBUG mode -- no optimizations, enable SafeVector checking, no inlining +# b) PROFILE mode -- for gprof +# c) RELEASE mode +################################################################################ +BIG_INLINE_LIMIT = 20000 + +PROBCONS = ./probconsRNA +VIENNA = ./vienna + +# no -Wall option for warning +CXXFLAGS = -O3 -funroll-loops -finline-limit=$(BIG_INLINE_LIMIT) +OFLAGS = -DNDEBUG -DNumInsertStates=1 -DVERSION="2.0" $(CXXFLAGS) $(CFLAGS1) +LIBS = -L$(PROBCONS) -L./ +INCL = -I$(PROBCONS) -I$(VIENNA) -I./ + +################################################################################ +# 3) Dependencies +################################################################################ + +TARGETS = mxscarna + +OBJS = Main.o McCaskill.o vienna/energy_param.o seq2scs.o Globaldp.o postProcessings.o AlifoldMEA.o + +.PHONY : all +all : $(TARGETS) + +mxscarna : $(OBJS) + $(CXX) $(LIBS) $(OFLAGS) -lm -o $@ $(OBJS) + +rfold: + cd $(RFOLD); \ + make; \ + cd .. \ + cd .. +probcons: + cd $(PROBCONS); \ + make; \ + cd .. + +#probcons : MultiSequence.h ProbabilisticModel.h ScoreType.h Sequence.h FileBuffer.h SparseMatrix.h EvolutionaryTree.h Defaults.h SafeVector.h Main.cc +# $(CXX) -lm -o probcons $(OBJS) +#Main.cc + +Main.o : $(PROBCONS)/SafeVector.h $(PROBCONS)/FileBuffer.h $(PROBCONS)/Sequence.h $(PROBCONS)/MultiSequence.h $(PROBCONS)/EvolutionaryTree.h scarna.hpp BPPMatrix.hpp StemCandidate.hpp Globaldp.hpp AlifoldMEA.h Main.cc + $(CXX) $(INCL) $(OFLAGS) -c Main.cc -o Main.o +McCaskill.o: McCaskill.hpp $(VIENNA)/energy_param.hpp Util.hpp Beta.hpp ScoreType.hpp McCaskill.cpp + $(CXX) $(INCL) $(OFLAGS) -c McCaskill.cpp -o McCaskill.o +$(VIENNA)/energy_param.o: $(VIENNA)/energy_param.hpp $(VIENNA)/energy_param.cpp + $(CXX) $(INCL) $(OFLAGS) -c $(VIENNA)/energy_param.cpp -o $(VIENNA)/energy_param.o +seq2scs.o: $(PROBCONS)/SafeVector.h StemCandidate.hpp $(PROBCONS)/Sequence.h $(PROBCONS)/MultiSequence.h BPPMatrix.hpp nrutil.h seq2scs.cpp + $(CXX) $(INCL) $(OFLAGS) -c seq2scs.cpp -o seq2scs.o +Globaldp.o: Globaldp.hpp nrutil.h Util.hpp Beta.hpp scarna.hpp StemCandidate.hpp $(PROBCONS)/MultiSequence.h $(PROBCONS)/Sequence.h BPPMatrix.hpp + $(CXX) $(INCL) $(OFLAGS) -c Globaldp.cpp -o Globaldp.o +GlobalParameters.o: scarna.hpp + $(CXX) $(INCL) $(OFLAGS) -c GlobalParameters.cpp -o GlobalParameters.o +postProcessings.o: StemCandidate.hpp scarna.hpp + $(CXX) $(INCL) $(OFLAGS) -c postProcessings.cpp -o postProcessings.o +AlifoldMEA.o: nrutil.h Util.hpp Beta.hpp BPPMatrix.hpp $(PROBCONS)/MultiSequence.h $(PROBCONS)/Sequence.h $(PROBCONS)/SafeVector.h + $(CXX) $(INCL) $(OFLAGS) -c AlifoldMEA.cpp -o AlifoldMEA.o + +.PHONY : clean +clean: + rm -f $(TARGETS) *.o *.h~ *.hpp~ *.cpp~ *.cc~ $(VIENNA)/*.o + $(MAKE) -C $(PROBCONS) clean diff --git a/binaries/src/mafft/extensions/mxscarna_src/McCaskill.cpp b/binaries/src/mafft/extensions/mxscarna_src/McCaskill.cpp new file mode 100644 index 0000000..39497fb --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/McCaskill.cpp @@ -0,0 +1,839 @@ +#include +#include "McCaskill.hpp" +//#include "energy_param3.hpp" +#include "Util.hpp" +#include + +namespace MXSCARNA { +energy_param McCaskill::energyParam; + +float *McCaskill::exphairpin; +float McCaskill::expninio[5][32]; +float McCaskill::expdangle5[6][4]; +float McCaskill::expdangle3[6][4]; +float McCaskill::expinternalLoop[31]; +float McCaskill::expbulge[31]; +char McCaskill::exptriLoop[2][6]; +float McCaskill::exptriLoopEnergy[2]; +char McCaskill::exptetraLoop[30][7]; +float McCaskill::exptetraLoopEnergy[30]; +float McCaskill::expStack[6][6]; +float McCaskill::expTstackH[6][16]; +float McCaskill::expTstackI[6][16]; +float McCaskill::expint11[6][6][16]; +float McCaskill::expint21[6][6][16][4]; +float McCaskill::expint22[6][6][16][16]; +float McCaskill::expMLclosing; +float McCaskill::expMLintern[8]; +float McCaskill::expTermAU; +float McCaskill::expMLbase[31]; + +const int McCaskill::TURN = 3; +const float McCaskill::GASCONST = 1.98717; +const float McCaskill::T = 37 + 273.15; +const int McCaskill::MAXLOOP = 30; +const int McCaskill::TETRA_ENTH37 = -400; +const int McCaskill::NBPAIRS = 7; +const int McCaskill::SCALE = 10; + + +void +McCaskill:: +calcPartitionFunction() +{ + initParameter(); + Inside(); + Outside(); + convertProbability(); + +/* + for(int i = 0; i < n_seq; i++) { + for(int j = i; j < n_seq; j++) { + cout << getProb(i, j) << " "; + } + cout << endl; + } +*/ +} + +void +McCaskill:: +convertProbability() +{ + float *pPointer = p.getPointer(0, 0); + float *abPointer = ab.getPointer(0,0); + for(int i = 0; i < n_seq; i++) { + for(int j = i; j < n_seq; j++) { + *pPointer += *abPointer++; + *pPointer++ = EXP(*pPointer); + } + } +} + +void +McCaskill:: +Inside() +{ + + for (int i = n_seq - TURN - 2; i >= 0; i--) { + float *abPointer = ab.getPointer(i, i + TURN + 1); + float *am1Pointer = am1.getPointer(i, i + TURN + 1); + float *amPointer = am.getPointer(i, i + TURN + 1); + float *q1Pointer = q1.getPointer(i, i + TURN + 1); + float *aPointer = a.getPointer(i, i + TURN + 1); + int *typePointer = typeMat.getPointer(i, i+TURN+1); + for (int j = i + TURN + 1; j < n_seq; j++) { + int tmpType = *typePointer++; + *abPointer++ = compQb(i, j, tmpType); + am1v.ref(i,j) = *am1Pointer++ = compQm1(i,j, tmpType); + amv.ref(i,j) = *amPointer++ = compQm(i,j); + q1v.ref(i,j) = *q1Pointer++ = compQ1(i,j, tmpType); + *aPointer++ = compQ(i,j); + } + } +} + +inline float +McCaskill:: +compQb(int i, int j, int tmpType) +{ + + float tmpAb; + int type = tmpType; + int u = j - i - 1; + + if(Beta::isCanonicalReducedPairCode(type)) { + // hairpin energy + assert(u >= 3); + tmpAb = expHairpinEnergy(type, u, i + 1, j - 1); + + // base pair, bulge, interior loop energy + for(int h = i + 1; h <= MIN(i + MAXLOOP + 1, j - TURN - 2); h++) { + int u1 = h-i-1; + int max = MAX(h + TURN + 1, j-1-MAXLOOP+u1); + float *abPointer = ab.getPointer(h, max - 1); + const int *typeMatPointer = typeMat.getPointer(h, max); + + for(int l = max; l < j; l++) { + int type2 = *typeMatPointer++; + abPointer++; + if(!Beta::isCanonicalReducedPairCode(type2)) continue; + + assert(h >= 0 && h < n_seq && l >= 0 && l < n_seq); + type2 = Beta::flipReducedPairCode(type2); + assert(h-i-1 >= 0); assert(j-l-1 >= 0); + float loopE = *abPointer; + loopE += expLoopEnergy(u1, j-l-1, tmpType, type2, i+1, j-1, h-1, l+1); + tmpAb = LOG_ADD(tmpAb, loopE); + } + } + + // multi loop + float tmpQm = IMPOSSIBLE; + float *amPointer = am.getPointer(i + 1, j - TURN - 3); + float *am1Pointer = am1v.getPointer(j-TURN-2, j-1); + for(int h = j - TURN - 2; h >= i + TURN + 3; h--) { + assert(h >= 0 && h < n_seq); + float tmpScore = *amPointer--; + tmpScore += *am1Pointer--; + tmpQm = LOG_ADD(tmpQm, tmpScore); + } + tmpQm += expMLclosing + expMLintern[type]; + tmpQm += endStemScore(i, j); + tmpAb = LOG_ADD(tmpAb, tmpQm); + } + else { + tmpAb = IMPOSSIBLE; + } + return tmpAb; +} + +//F = a:ML_closing + b:ML_intern*k + c:ML_BASE*u + +inline float +McCaskill:: +compQm1(int i, int j, int tmpType) +{ + float tmpQm1 = IMPOSSIBLE; + + int l = j; + if (i + TURN + 1 <= l) { + int type = typeMat.ref(i,l); + if(Beta::isCanonicalReducedPairCode(type)) { + float tmpScore = ab.ref(i,l); + tmpScore += beginStemScore(i, l); + //tmpScore += expMLbase[1]*(j-l) + expMLintern[type]; + tmpScore += expMLintern[tmpType]; + tmpQm1 = LOG_ADD(tmpQm1, tmpScore); + } + } + if(i < j) { + tmpQm1 = LOG_ADD(tmpQm1, am1.ref(i,j-1)); + } + + return tmpQm1; +} + +inline float +McCaskill:: +compQm(int i, int j) +{ + float tmpQm = IMPOSSIBLE; + float *amPointer = am.getPointer(i,j-TURN-2); + float *am1Pointer = am1v.getPointer(j-TURN-1, j); + for(int h = j - TURN - 1; h >= i ; h--) { + float tmpScore = 0; + float tmpAm1 = *am1Pointer--; + + tmpScore += tmpAm1; + tmpQm = LOG_ADD(tmpQm, tmpScore); + tmpScore = *amPointer--; + tmpScore += tmpAm1; + tmpQm = LOG_ADD(tmpQm, tmpScore); + } + + return tmpQm; +} + +inline float +McCaskill:: +compQ1(int i, int j, int tmpType) +{ + float tmpQ1 = IMPOSSIBLE; + + if(Beta::isCanonicalReducedPairCode(tmpType)) { + float tmpScore = ab.ref(i, j); + tmpScore += beginStemScore(i, j); + tmpQ1 = LOG_ADD(tmpQ1, tmpScore); + } + tmpQ1 = LOG_ADD(tmpQ1, q1.ref(i, j - 1)); + + return tmpQ1; +} + +inline float +McCaskill:: +compQ(int i, int j) +{ + float tmpQ = 0; + tmpQ = LOG_ADD(tmpQ, q1.ref(i,j)); + + float *aPointer = a.getPointer(i,j-TURN-2); + float *q1Pointer = q1v.getPointer(j-TURN-1, j); + for(int h = j - TURN - 1; h >= i + 1; h--) { + float tmpScore = *aPointer--; + tmpScore += *q1Pointer--; + tmpQ = LOG_ADD(tmpQ, tmpScore); + } + + return tmpQ; +} + +inline float +McCaskill:: +beginStemScore(const int i, const int j) const +{ + float temp = 0; + int type = typeMat.ref(i,j); + + if(0 < i) { temp += expdangle5[type][numSeq[i-1]]; } + if(j < n_seq-1) { temp += expdangle3[type][numSeq[j+1]]; } + if(type != Beta::REDUCED_CG_CODE && type != Beta::REDUCED_GC_CODE) { temp += expTermAU; } + return temp; +} + +inline float +McCaskill:: +endStemScore(const int i, const int j) const +{ + float temp = 0; + int type = typeMat.ref(i,j); + + type = Beta::flipReducedPairCode(type); + + if(i < n_seq-1) { temp += expdangle3[type][numSeq[i+1]]; } + if(j > 0) { temp += expdangle5[type][numSeq[j-1]]; } + if(type != Beta::REDUCED_CG_CODE && type != Beta::REDUCED_GC_CODE) { temp += expTermAU; } + return temp; +} + +inline float +McCaskill:: +compP(int h, int l, int tmpType) +{ + float prob = IMPOSSIBLE; + + int type = tmpType; + if(Beta::isCanonicalReducedPairCode(type)) { + + /* exterior loop */ + float tmp_p = 0; + tmp_p -= a.ref(0,n_seq-1); + if(0 < h) { + tmp_p += a.ref(0,h-1); + } + if(l < n_seq-1) { + tmp_p += a.ref(l+1, n_seq-1); + } + tmp_p += beginStemScore(h, l); + prob = LOG_ADD(prob, tmp_p); + + assert(IMPOSSIBLE <= prob && prob <= 0); + + /* internal loop */ + tmp_p = IMPOSSIBLE; + int tt = Beta::flipReducedPairCode(tmpType); + int max = MAX(0,h-MAXLOOP-1); + for(int i = max; i <= h - 1; i++) { + float min = MIN(l+MAXLOOP-h+i+2, n_seq-1); + int *typeMatPointer = typeMat.getPointer(i,l+1); + float *pPointer = p.getPointer(i,l); + for(int j = l + 1; j <= min; j++) { + int type2 = *typeMatPointer++; + pPointer++; + if(!Beta::isCanonicalReducedPairCode(type2)) continue; + assert(i >= 0 && i < n_seq && j >= 0 && j < n_seq); + + float tmpScore = *pPointer; + tmpScore += expLoopEnergy(h-i-1, j-l-1, type2, tt, i+1, j-1, h-1, l+1); + tmp_p = LOG_ADD(tmp_p, tmpScore); + } + } + prob = LOG_ADD(prob, tmp_p); + assert(IMPOSSIBLE <= prob && prob <= 0); + + /* multi loop */ + tmp_p = IMPOSSIBLE; + float tmp_begin = beginStemScore(h, l); + float *q1Pointer = q1v.getPointer(0, l); + float *am1Pointer = am1v.getPointer(0, l); + float *amPointer = amv.getPointer(1,h-1); + for(int i = 0; i <= h-TURN-1; i++) { + float tmpq1 = *q1Pointer++; + float tmpam = *amPointer++; + float tmpScore = *am1Pointer++; + + tmpScore += tmpam; + tmpScore += tmp_begin; + tmpScore += expMLclosing + expMLintern[tt]; + tmp_p = LOG_ADD(tmp_p, tmpScore); + + tmpScore = tmpq1; + tmpScore += tmpam; + tmpScore += tmp_begin; + tmpScore += expMLclosing + expMLintern[tt]; + tmp_p = LOG_ADD(tmp_p, tmpScore); + + tmpScore = tmpq1; + tmpScore += tmp_begin; + tmpScore += expMLclosing + expMLintern[tt]; + tmp_p = LOG_ADD(tmp_p, tmpScore); + } + + assert(IMPOSSIBLE <= tmp_p && tmp_p <= 0); + prob = LOG_ADD(prob, tmp_p); + + tmp_p = IMPOSSIBLE; + for(int i = h-TURN; i <= h-1; i++) { + if(i >= 0) { + float tmpScore = q1.ref(i,l); + tmpScore += tmp_begin; + tmpScore += expMLclosing + expMLintern[tt]; + tmp_p = LOG_ADD(tmp_p, tmpScore); + } + } + assert(IMPOSSIBLE <= tmp_p && tmp_p <= 0); + prob = LOG_ADD(prob, tmp_p); + } + else { + prob = IMPOSSIBLE; + } + + return prob; +} + +inline float +McCaskill:: +compPm(int i, int l) +{ + float tmpPm = IMPOSSIBLE; + + int *typeMatPointer = typeMat.getPointer(i,n_seq-1); + float *pPointer = p.getPointer(i,n_seq); + float *amPointer = am.getPointer(l+1,n_seq-1); + float *abPointer = ab.getPointer(i, n_seq); + for(int j = n_seq - 1; j >= l + TURN + 1; j--) { + int type = *typeMatPointer--; + pPointer--; + amPointer--; + abPointer--; + if(Beta::isCanonicalReducedPairCode(type)) { + float tmp = *pPointer; + tmp += *amPointer; + tmp += endStemScore(i, j); + tmpPm = LOG_ADD(tmpPm, tmp); + } + } + tmpPm += expMLintern[1]; + + return tmpPm; +} + +inline float +McCaskill:: +compPm1(int i, int l) +{ + float tmpPm1 = IMPOSSIBLE; + + int j = l + 1; + if(j <= n_seq-1) { + int type = typeMat.ref(i,j); + if(Beta::isCanonicalReducedPairCode(type)) { + float tmp = p.ref(i,j); + tmp += endStemScore(i, j); + tmpPm1 = tmp; + } + tmpPm1 += expMLintern[1]; + } + if(l+1 <= n_seq - 1) { + tmpPm1 = LOG_ADD(tmpPm1, am1.ref(i, l+1)); + } + + return tmpPm1; +} + +void +McCaskill:: +Outside() +{ + for(int h = 0; h <= n_seq - TURN - 2; h++) { + float *pPointer = p.getPointer(h, n_seq-1); + float *q1Pointer = q1.getPointer(h, n_seq-1); + float *am1Pointer = am1.getPointer(h, n_seq-1); + int *typePointer = typeMat.getPointer(h, n_seq-1); + for(int l = n_seq-1; l >= h + TURN + 1; l--) { + int tmpType = *typePointer--; + pv.ref(h,l) = *pPointer-- = compP(h,l,tmpType); + q1v.ref(h,l) = *q1Pointer-- = compPm(h,l); + am1v.ref(h,l) = *am1Pointer-- = compPm1(h,l); + + assert(p.ref(h,l) <= 0); + } + } +} + +void +McCaskill:: +printProbMat() +{ + int m = 0; + for(int i = 0; i < n_seq; i++) cout << " " << seq[i]; + cout << endl; + for(int i = 0; i < n_seq; i++) { + if(m < n_seq) { + cout << seq[m]; + } + for(int j = 0; j <= i-1; j++) { + if(j != i-1) cout << " "; + else cout << " "; + } + if(i != 0 && i != n_seq-1) { + cout << "\\"; + } + + for(int j = i; j < n_seq; j++) { + if(p.ref(i,j) > 0.01) { + + int type = Beta::getReducedPairCode(numSeq[i], numSeq[j]); + + if(!Beta::isCanonicalReducedPairCode(type)) { + cout << "\n" << seq[i] << " " << seq[j] << " " << exp(p.ref(i,j)) << endl; + } + + if(j != n_seq-1) { + cout << "* "; + } + else { + cout << "*"; + } + + } + else { + + if(j != n_seq-1) { + cout << " "; + } + else { + cout << " "; + } + + } + + } + if(m < n_seq) { + cout << seq[m++] << endl; + } + if(i == n_seq - 1) cout << endl; + } + for(int i = 0; i < n_seq; i++) cout << " " << seq[i]; + cout << endl; +} + +void +McCaskill:: +initParameter() +{ + float GT; + float RT_KCAL_MOL = McCaskill::T*McCaskill::GASCONST; + int len = 31; + + for(int i = 0; i < len; i++) { + GT = energyParam.getHairpin(i); + exphairpin[i] = -GT*10/RT_KCAL_MOL; + } + + for (int i = 0; i < len; i++) { + GT = energyParam.getBulge(i); + expbulge[i] = -GT*10/RT_KCAL_MOL; + GT = energyParam.getInternalLoop(i); + expinternalLoop[i] = -GT*10/RT_KCAL_MOL; + } + expinternalLoop[2] = -80*10/RT_KCAL_MOL; /* special case of size 2 interior loops (single mismatch) */ + + // float lxc = energy_param3::lxc37; + for (int i = 31; i < n_seq; i++) { + GT = energyParam.getHairpin(30) + (107.856*LOG((float)i/30)); + exphairpin[i] = -GT*10/RT_KCAL_MOL; + } + + for(int i = 0; i < 5; i++) { + GT = energyParam.getNinio(i); + for(int j = 0; j <= MAXLOOP; j++) { + expninio[i][j] = -MIN(energyParam.getMaxNinio(), j*GT)*10/RT_KCAL_MOL; + } + } + + for(int i = 0; i < 30; i++) { + GT = energyParam.getTetraLoopEnergy(i); + exptetraLoopEnergy[i] = -GT*10/RT_KCAL_MOL; + } + + /*no parameters for Triloop*/ + for(int i = 0; i < 2; i++) { + GT = 0; + exptriLoopEnergy[i] = -GT*10/RT_KCAL_MOL; + } + + GT = energyParam.getMLclosing(); + expMLclosing = -GT*10/RT_KCAL_MOL; + + for(int i = 0; i <= NBPAIRS; i++) { + GT = energyParam.getMLintern(); + expMLintern[i] = -GT*10/RT_KCAL_MOL; + } + + expTermAU = -energyParam.getTerminalAU()*10/RT_KCAL_MOL; + + GT = energyParam.getMLBase(); + for(int i = 0; i < len; i++) { + expMLbase[i] = -GT*10*(float)i/RT_KCAL_MOL; + } + + /* + if danlges = 0 just set their energy to 0, + don't let dangle energyies become > 0 (at large temps) + but make sure go smoothly to 0 + */ + for(int i = 0; i < 6; i++) { + for(int j =0; j < 4; j++) { + GT = energyParam.getDangle5(i,j); + expdangle5[i][j] = -GT*10/RT_KCAL_MOL; + GT = energyParam.getDangle3(i,j); + expdangle3[i][j] = -GT*10/RT_KCAL_MOL; + } + } + + /* stacking energies */ + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 6; j++) { + GT = energyParam.getStack(i,j); + expStack[i][j] = -GT*10/RT_KCAL_MOL; + } + } + + /* mismatch energies */ + for (int i = 0; i < 6; i++) { + for (int j = 0; j < 16; j++) { + GT = energyParam.getTstackI(i, j); + // cout << i << " " << " " << j << " " << GT << endl; + expTstackI[i][j] = -GT*10/RT_KCAL_MOL; + GT = energyParam.getTstackH(i, j); + expTstackH[i][j] = -GT*10/RT_KCAL_MOL; + } + } + + /* interior loops of length 2*/ + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 6; j++) { + for(int k = 0; k < 16; k++) { + GT = energyParam.getInt11(i, j, k); + expint11[i][j][k] = -GT*10/RT_KCAL_MOL; + } + } + } + + /* interior 2*1 loops */ + for(int i = 0; i < 6; i++) { + for(int j =0; j < 6; j++) { + for(int k = 0; k < 16; k++) { + for(int l = 0; l < 4; l++) { + GT = energyParam.getInt21(i,j,k,l); + expint21[i][j][k][l] = -GT*10/RT_KCAL_MOL; + } + } + } + } + + /* interior 2*2 loops */ + for (int i = 0; i < 6; i++) { + for(int j = 0; j < 6; j++) { + for(int k = 0; k < 16; k++) { + for(int l = 0; l < 16; l++) { + GT = energyParam.getInt22(i,j,k,l); + expint22[i][j][k][l] = -GT*10/RT_KCAL_MOL; + } + } + } + } +} + + +inline float +McCaskill:: +expHairpinEnergy(const int type, const int l, const int i, const int j) +{ + float q; + int k; + +// assert(l >= 0); + q = exphairpin[l]; + + if(l == 4) { + char temp_seq[7]; + + for(int iter = i - 1; iter < i + 5; iter++) { + temp_seq[iter - (i-1)] = seq[iter]; + } + temp_seq[6] = '\0'; + + for(k = 0; k < 30; k++) { + if(strcmp(temp_seq, energyParam.getTetraLoop(k)) == 0) break; + } + if(k != 30) { + q += exptetraLoopEnergy[k]; + } + } + if(l == 3) { + + /* no triloop bonus + char temp_seq[6]; + + for(int iter = i - 1; iter < i + 4; iter++) { + temp_seq[iter - (i-1)] = seq[iter]; + } + temp_seq[6] = '\0'; + for(k = 0; k < 2; k++) { + if(strcmp(temp_seq, energyParam.getTriLoop(k)) == 0) break; + } + if(k != 2) { + q *= exptriLoopEnergy[k]; + } + */ + + if(type != Beta::REDUCED_CG_CODE && type != Beta::REDUCED_GC_CODE) q += expTermAU; + } + else { + int type2 = Beta::getPairCode(numSeq[i], numSeq[j]); + q += expTstackH[type][type2]; + } + + return q; +} + + +inline float +McCaskill:: +expLoopEnergy(int u1, int u2, int type, int type2, + int si1, int sj1, int sp1, int sq1) +{ + float z = 0; + + if((u1 == 0) && (u2 == 0)) { z = expStack[type][type2]; } + else { + if((u1 == 0) || (u2 == 0)) { + int u; + if(u1 == 0) { u = u2; } + else { u = u1; } + z = expbulge[u]; + if(u1 + u2 == 1) z += expStack[type][type2]; + else { + if (type != Beta::REDUCED_CG_CODE && type != Beta::REDUCED_GC_CODE) z += expTermAU; + if (type2 != Beta::REDUCED_CG_CODE && type2 != Beta::REDUCED_GC_CODE) z += expTermAU; + } + } + else { + if(u1 + u2 == 2) { + z = expint11[type][type2][Beta::getPairCode(numSeq[si1], numSeq[sj1])]; + } + else if((u1 == 1) && (u2 == 2)) { + z = expint21[type][type2][Beta::getPairCode(numSeq[si1], numSeq[sj1])][numSeq[sq1]]; + } + else if((u1 == 2) && (u2 == 1)) { + z = expint21[type2][type][Beta::getPairCode(numSeq[sq1], numSeq[sp1])][numSeq[si1]]; + } + else if((u1 == 2) && (u2 == 2)) { + z = expint22[type][type2][Beta::getPairCode(numSeq[si1], numSeq[sj1])][Beta::getPairCode(numSeq[sp1], numSeq[sq1])]; + } + else { + z = expinternalLoop[u1 + u2] + + expTstackI[type][Beta::getPairCode(numSeq[si1], numSeq[sj1])] + + expTstackI[type2][Beta::getPairCode(numSeq[sq1], numSeq[sp1])]; + z += expninio[2][abs(u1-u2)]; + } + } + } + + return z; +} + +void +McCaskill:: +printExpEnergy() +{ + cout << "exphairpin:" << endl; + for(int i = 0; i < 31; i++) { + cout << exphairpin[i] << endl; + } + + cout << "expninio[5][32]:" << endl; + for(int i = 0; i < 5; i++) { + for(int j = 0; j < 32; j++) { + cout << expninio[i][j] << " "; + } + cout << endl; + } + + cout << "expdangle5[6][4]:" << endl; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 4; j++) { + cout << expdangle5[i][j] << " "; + } + cout << endl; + } + + cout << "expdangle3[6][4]:" << endl; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 4; j++) { + cout << expdangle3[i][j] << " "; + } + cout << endl; + } + + cout << "expinternalLoop[31]:" << endl; + for(int i = 0; i < 31; i++) { + cout << i << ":" << expinternalLoop[i] << endl; + } + cout << "expbulge[31]:" << endl; + for(int i = 0; i < 31; i++) { + cout << i << ":" << expbulge[i] << endl; + } + + cout << "exptriLoopEnergy[2]:" << endl; + for(int i = 0; i < 2; i++) { + cout << i << ":" << exptriLoopEnergy[i] << endl; + } + + cout << "exptetraLoopEnergy[15]" << endl; + for(int i = 0; i < 15; i++) { + cout << i << ":" << exptetraLoopEnergy[i] << endl; + } + + cout << "expStack[6][6]:" << endl; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 6; j++) { + cout << expStack[i][j] << " "; + } + cout << endl; + } + + cout << "expTstackH[6][16]:" << endl; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 16; j++) { + cout << expTstackH[i][j] << " "; + } + cout << endl; + } + + cout << "expTstackI[6][16]:" << endl; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 16; j++) { + cout << expTstackI[i][j] << " "; + } + cout << endl; + } + + cout << "expMLclosing=" << expMLclosing << endl; + cout << "expMLintern:" << endl; + for(int i = 0; i < 8; i++) { + cout << expMLintern[i] << " "; + } + cout << endl; + + cout << "expMLbase[31]:"; + for(int i = 0; i < 31; i++) { + cout << i << ":" << expMLbase[i] << endl; + } + + cout << "expint11[6][6][16]:"; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 6; j++) { + for(int k = 0; k < 16; k++) { + cout << expint11[i][j][k] << " "; + } + cout << endl; + } + cout << endl; + } + + cout << "expint21[6][6][16][4]:" << endl; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 6; j++) { + for(int k = 0; k < 16; k++) { + for(int l = 0; l < 4; l++) { + cout << expint21[i][j][k][l] << " "; + } + cout << endl; + } + cout << endl; + } + cout << endl; + } + + + cout << "expint22[6][6][16][16]:" << endl; + for(int i = 0; i < 6; i++) { + for(int j = 0; j < 6; j++) { + for(int k = 0; k < 16; k++) { + for(int l = 0; l < 16; l++) { + cout << expint22[i][j][k][l] << " "; + } + cout << endl; + } + cout << endl; + } + cout << endl; + } + +} + +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/McCaskill.hpp b/binaries/src/mafft/extensions/mxscarna_src/McCaskill.hpp new file mode 100644 index 0000000..97ef7df --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/McCaskill.hpp @@ -0,0 +1,202 @@ + +#ifndef MCCAKILL_H +#define MCCAKILL_H + +//#define NDEBUG + +#include +#include +#include "nrutil.h" +#include +#include "Util.hpp" +#include "Beta.hpp" + +#include "energy_param.hpp" +//#include "energy_param3.hpp" + +#include "ScoreType.hpp" + + +using namespace std; +using namespace ProbCons; + +namespace MXSCARNA { +class McCaskill { + char *seq; + int *numSeq; + int n_seq; + static energy_param energyParam; + + Trimat a, q1, ab, am, am1, p; + TriVertMat q1v, abv, amv, am1v, pv; + Trimat typeMat; + + void printExpEnergy(); + void initParameter(); + void Inside(); + void Outside(); + void convertProbability(); + + inline float expHairpinEnergy(const int type, const int l, const int i, const int j); + inline float expLoopEnergy(int u1, int u2, int type, int type2, + int si1, int sj1, int sp1, int sq1); + + inline float compQb(int i, int j, int tmpType); + inline float compQm1(int i, int j, int tmpType); + inline float compQm(int i, int j); + inline float compQ1(int i, int j, int tmpType); + inline float compQ(int i, int j); + inline float compP(int h, int l, int tmpType); + inline float compPm(int i, int l); + inline float compPm1(int i, int l); + inline float beginStemScore(const int i, const int j) const; + inline float endStemScore(const int i, const int j) const; + + static const float GASCONST; + static const float T; + static const int MAXLOOP; + static const int TETRA_ENTH37; + static const int NBPAIRS; + static const int SCALE; + static const int TURN; + static float *exphairpin; + static float expninio[5][32]; + static float expdangle5[6][4]; + static float expdangle3[6][4]; + static float expinternalLoop[31]; + static float expbulge[31]; + static char exptriLoop[2][6]; + static float exptriLoopEnergy[2]; + static char exptetraLoop[30][7]; + static float exptetraLoopEnergy[30]; + static float expStack[6][6]; + static float expTstackH[6][16]; + static float expTstackI[6][16]; + static float expint11[6][6][16]; + static float expint21[6][6][16][4]; + static float expint22[6][6][16][16]; + static float expMLclosing; + static float expMLintern[8]; + static float expTermAU; + static float expMLbase[31]; + + public: + + McCaskill(int n, const char *mySeq) { + seq = new char[n + 1]; + numSeq = new int[n + 1]; + n_seq = 0; + + + for(int i = 0; i < n; i++) { + if (mySeq[i] == 'a' || mySeq[i] == 'A') { seq[n_seq] = 'A'; numSeq[n_seq] = Beta::A_CODE; n_seq++; } + else if(mySeq[i] == 't' || mySeq[i] == 'T' || + mySeq[i] == 'u' || mySeq[i] == 'U') { seq[n_seq] = 'U'; numSeq[n_seq] = Beta::U_CODE; n_seq++; } + else if(mySeq[i] == 'g' || mySeq[i] == 'G') { seq[n_seq] = 'G'; numSeq[n_seq] = Beta::G_CODE; n_seq++; } + else if(mySeq[i] == 'c' || mySeq[i] == 'C') { seq[n_seq] = 'C'; numSeq[n_seq] = Beta::C_CODE; n_seq++; } + else if(mySeq[i] == 'n' || mySeq[i] == 'N') { seq[n_seq] = 'N'; numSeq[n_seq] = Beta::N_CODE; n_seq++; } + else if(mySeq[i] == '.' || mySeq[i] == '-') { seq[n_seq] = '-'; numSeq[n_seq] = Beta::GAP_CODE; n_seq++; } + else { seq[n_seq] = mySeq[i]; numSeq[n_seq] = Beta::INVALID_CODE; n_seq++; } + } + seq[n_seq] = '\0'; + a.Allocator(n_seq); + q1.Allocator(n_seq); + ab.Allocator(n_seq); + am.Allocator(n_seq); + am1.Allocator(n_seq); + p.Allocator(n_seq); + q1v.Allocator(n_seq); + abv.Allocator(n_seq); + amv.Allocator(n_seq); + am1v.Allocator(n_seq); + pv.Allocator(n_seq); + typeMat.Allocator(n_seq); + + if(n_seq > 31) { + exphairpin = new float[n_seq + 1]; + } + else { + exphairpin = new float[31]; + } + + for(int i = 0; i < n_seq; i++) { + for(int j = i; j < n_seq; j++) { + a.ref(i,j) = q1.ref(i,j) = IMPOSSIBLE; + q1v.ref(i,j) = IMPOSSIBLE; + } + } + + for(int i = 0; i < n_seq; i++) { + a.ref(i,i) = 0.0; + q1.ref(i,i) = IMPOSSIBLE; + q1v.ref(i,i) = IMPOSSIBLE; + } + + for(int i = 0; i < n_seq-1; i++) { + a.ref(i,i+1) = 0.0; + q1.ref(i,i+1) = IMPOSSIBLE; + q1v.ref(i,i+1) = IMPOSSIBLE; + } + + for(int i = 0; i < n_seq-2; i++) { + a.ref(i,i+2) = 0.0; + q1.ref(i,i+2) = IMPOSSIBLE; + q1v.ref(i,i+2) = IMPOSSIBLE; + } + + for(int i = 0; i < n_seq-3; i++) { + a.ref(i,i+3) = 0.0; + q1.ref(i,i+3) = IMPOSSIBLE; + q1v.ref(i,i+3) = IMPOSSIBLE; + + } + + for(int i = 0; i < n_seq; i++) { + for(int j = i; j < n_seq; j++) { + ab.ref(i,j) = am.ref(i,j) = am1.ref(i,j) = p.ref(i,j) = IMPOSSIBLE; + abv.ref(i,j) = amv.ref(i,j) = am1v.ref(i,j) = pv.ref(i,j) = IMPOSSIBLE; + } + } + + /* the type of base pair */ + /* C <-> G : type 1 */ + /* G <-> C : type 2 */ + /* G <-> U : type 3 */ + /* U <-> G : type 5 */ + /* A <-> U : type 0 */ + /* U <-> A : type 4 */ + /* ? <-> ? : type 6 */ + for(int i = 0; i < n_seq; i++) { + for(int j = i; j < n_seq; j++) { + typeMat.ref(i,j) = Beta::getReducedPairCode(numSeq[i], numSeq[j]); + } + } + + } + + /*------------------------------------------------------------------------*/ + /* dangling ends should never be destabilizing, i.e. expdangle>=1 */ + /* specific heat needs smooth function (2nd derivative) */ + /* we use a*(sin(x+b)+1)^2, with a=2/(3*sqrt(3)), b=Pi/6-sqrt(3)/2, */ + /* in the interval b0.8660254)?(X): + SCALE*0.38490018*(sin((X)/SCALE-0.34242663)+1)*(sin((X)/SCALE-0.34242663)+1)); + } + + ~McCaskill() { + delete[] seq; + delete[] numSeq; + delete[] exphairpin; + } + + void calcPartitionFunction(); + void printProbMat(); + + inline float getProb(const int i, const int j) const { + // 0 origin : 0..(n-1) + return p.ref(i, j); + } +}; +} +#endif // MCCASKILL_H diff --git a/binaries/src/mafft/extensions/mxscarna_src/README b/binaries/src/mafft/extensions/mxscarna_src/README new file mode 100644 index 0000000..0578545 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/README @@ -0,0 +1,129 @@ +1.Program name + MXSCARNA + +2.Author + Yasuo Tabei + + Department of Computational Biology, + Graduate School of Frontier Science, + The University of Tokyo + and + Computational Biology Research Center (CBRC), + National Institute of Advanced Industrial Science and Technology (AIST) + + E-mail: scarna@m.aist.go.jp + +3.What is MXSCARNA + MXSCARNA (Multiplex Stem Candidate Aligner for RNAs) is a tool for + fast structural multiple alignment of RNA sequences using progressive + alignment based on pairwise structural alignment algorithm of SCARNA. + +4.License + While its original source code is provided as free software, MXSCARNA + contains the source codes of ProbCons and Rfold and the energy parameters + of Vienna RNA package (version 1.5). + The author thanks Dr. Chuong Do, Dr. Hisanori Kiryu and Dr. Ivo Hofacker, + the authors of ProbCons, Rfold and Vienna RNA package respectively, + and Institute for Theoretical Chemistry of the University of Vienna. + + The source code of Rfold is located in ./src/rfold-0.1, which includes + energy parameters of Vienna RNA package in ./src/rfold-0.1/src/vienna. + Energy parameters of Vienna RNA package are also included in the source + code of MXSCARNA (./src/vienna). Please follow ./src/rfold-0.1/readme.txt + file, which describes the license of Rfold, and + ./src/rfold-0.1/src/vienna/COPYING file and ./src/vienna/COPYING file, + which describe the copyright notice of the Vienna RNA package. + The source code of ProbCons is located in ./src/probconsRNA. Please follow + ./src/probcons/README. + + The original part of MXSCARNA is provided as free software. It is + distributed in the hope that it will be useful but WITHOUT ANY WARRANTY; + without even the implied warranty of MERCHANTABILITY or FITNESS FOR A + PARTICULAR PURPOSE. + + Permission is granted for research, educational, and commercial use + and modification so long as + 1) the package and any derived works are not redistributed for any fee, + other than media costs, + 2) proper credit is given to + the authors of MXSCARNA, ProbCons, Rfold and Vienna RNA package, + the Univeristy of Tokyo, + Computational Biology Research Center (CBRC), AIST + and Institute for Theoretical Chemistry of the University of Vienna. + + If you want to include this software in a commercial product, please + contact the author. + +5.Citation + Yasuo Tabei, Hisanori Kiryu, Taishin Kin, Kiyoshi Asai: + "A fast structural multiple alignment method for long RNA sequences," + BMC bioinformatics, to appear. + +6.References + + Do, C.B., Mahabhashyam, M.S.P., Brudno, M., and Batzoglou, S. 2005. + PROBCONS: Probabilistic Consistency-based Multiple Sequence Alignment. + Genome Research 15: 330-340. + + Hisanori Kiryu, Taishin Kin, and Kiyoshi Asai + Rfold: An exact algorithm for computing local base pairing probabilities + Bioinformatics, Advance Access published on December 4, 2007; + doi:10.1093/bioinformatics/btm591 + + Ivo L. Hofacker + Vienna RNA secondary structure server + Nucleic Acids Res., Jul 2003; 31: 3429 - 3431. + + Yasuo Tabei, Koji Tsuda, Taishin Kin, and Kiyoshi Asai + SCARNA: fast and accurate structural alignment of RNA sequences by matching fixed-length stem fragments + Bioinformatics 2006 22(14):1723-1729. + +7.Install + The program was tested using gcc 3.3.3 on linux machines and gcc 3.4 on + cygwin Some gcc specific features are currently used. + + The command to compile this software is as follows: + + make + cd program + +8.Usage + + ./mxscarna [options] seqfile + + seqfile: + sequence file is multi fasta format. + + options: + -clustalw + use CLUSTALW output format instead of MFA + + -stockholm + use STOCKHOLM output format instead of MFA + + -mxscarna + use original output format instead of MFA + + -l + the length of stem candidates (default:2) + + -b + the threshold of base-pairing probability (default:0.01) + + -g + the control parameter of the prediction of base-pairs, (default:6) + + -rfold + use Rfold instead of global McCaskill algorithm to calcurate base + paring probality matrices, (default: off) + + -w + the control parameter of the distance of stem candidates, (default:500) + +9.Example + ./mxscarna -mxscarna ../sample/trna.mfa + +10.Version History +1. 1/16/2008 (Yasuo Tabei) +-- MXSCARNA ver 2.0 release + - Rfold was included. \ No newline at end of file diff --git a/binaries/src/mafft/extensions/mxscarna_src/ScoreType.hpp b/binaries/src/mafft/extensions/mxscarna_src/ScoreType.hpp new file mode 100644 index 0000000..46aa698 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/ScoreType.hpp @@ -0,0 +1,340 @@ +///////////////////////////////////////////////////////////////// +// ScoreType.h +// +// Routines for doing math operations in PROBCONS. +///////////////////////////////////////////////////////////////// + +#ifndef SCORETYPE_H +#define SCORETYPE_H + +#include +#include +#include +#include + +typedef float ScoreType; + +const float LOG_ZERO = -2e20; +const float LOG_ONE = 0.0; + +///////////////////////////////////////////////////////////////// +// LOG() +// +// Compute the logarithm of x. +///////////////////////////////////////////////////////////////// + +inline ScoreType LOG (ScoreType x){ + return log (x); +} + +///////////////////////////////////////////////////////////////// +// EXP() +// +// Computes exp(x). +///////////////////////////////////////////////////////////////// + +inline ScoreType EXP (ScoreType x){ + //return exp(x); + if (x > -2){ + if (x > -0.5){ + if (x > 0) + return exp(x); + return (((0.03254409303190190000*x + 0.16280432765779600000)*x + 0.49929760485974900000)*x + 0.99995149601363700000)*x + 0.99999925508501600000; + } + if (x > -1) + return (((0.01973899026052090000*x + 0.13822379685007000000)*x + 0.48056651562365000000)*x + 0.99326940370383500000)*x + 0.99906756856399500000; + return (((0.00940528203591384000*x + 0.09414963667859410000)*x + 0.40825793595877300000)*x + 0.93933625499130400000)*x + 0.98369508190545300000; + } + if (x > -8){ + if (x > -4) + return (((0.00217245711583303000*x + 0.03484829428350620000)*x + 0.22118199801337800000)*x + 0.67049462206469500000)*x + 0.83556950223398500000; + return (((0.00012398771025456900*x + 0.00349155785951272000)*x + 0.03727721426017900000)*x + 0.17974997741536900000)*x + 0.33249299994217400000; + } + if (x > -16) + return (((0.00000051741713416603*x + 0.00002721456879608080)*x + 0.00053418601865636800)*x + 0.00464101989351936000)*x + 0.01507447981459420000; + return 0; +} + +/* +///////////////////////////////////////////////////////////////// +// LOOKUP() +// +// Computes log (exp (x) + 1), for 0 <= x <= 7.5. +///////////////////////////////////////////////////////////////// + +inline ScoreType LOOKUP (ScoreType x){ + //return log (exp(x) + 1); + if (x < 2){ + if (x < 0.5){ + if (x < 0) + return log (exp(x) + 1); + return (((-0.00486373205785640000*x - 0.00020245408813934800)*x + 0.12504222666029800000)*x + 0.49999685320563000000)*x + 0.69314723138948900000; + } + if (x < 1) + return (((-0.00278634205460548000*x - 0.00458097251248546000)*x + 0.12865849880472500000)*x + 0.49862228499205200000)*x + 0.69334810088688000000; + return (((0.00059633755154209200*x - 0.01918996666063320000)*x + 0.15288232492093800000)*x + 0.48039958825756900000)*x + 0.69857578503189200000; + } + if (x < 8){ + if (x < 4) + return (((0.00135958539181047000*x - 0.02329807659316430000)*x + 0.15885799609532100000)*x + 0.48167498563270800000)*x + 0.69276185058669200000; + return (((0.00011992394456683500*x - 0.00338464503306568000)*x + 0.03622746366545470000)*x + 0.82481250248383700000)*x + 0.32507892994863100000; + } + if (x < 16) + return (((0.00000051726300753785*x - 0.00002720671238876090)*x + 0.00053403733818413500)*x + 0.99536021775747900000)*x + 0.01507065715532010000; + return x; +} + +///////////////////////////////////////////////////////////////// +// LOOKUP_SLOW() +// +// Computes log (exp (x) + 1). +///////////////////////////////////////////////////////////////// + +inline ScoreType LOOKUP_SLOW (ScoreType x){ + return log (exp (x) + 1); +} + +///////////////////////////////////////////////////////////////// +// MAX() +// +// Compute max of three numbers +///////////////////////////////////////////////////////////////// + +inline ScoreType MAX (ScoreType x, ScoreType y, ScoreType z){ + if (x >= y){ + if (x >= z) + return x; + return z; + } + if (y >= z) + return y; + return z; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS (ScoreType &x, ScoreType y){ + if (x < y) + x = (x <= LOG_ZERO) ? y : LOOKUP(y-x) + x; + else + x = (y <= LOG_ZERO) ? x : LOOKUP(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS_SLOW() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS_SLOW (ScoreType &x, ScoreType y){ + if (x < y) + x = (x <= LOG_ZERO) ? y : LOOKUP_SLOW(y-x) + x; + else + x = (y <= LOG_ZERO) ? x : LOOKUP_SLOW(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add two log probabilities +///////////////////////////////////////////////////////////////// + +inline ScoreType LOG_ADD (ScoreType x, ScoreType y){ + if (x < y) return (x <= LOG_ZERO) ? y : LOOKUP(y-x) + x; + return (y <= LOG_ZERO) ? x : LOOKUP(x-y) + y; +} +*/ + +/* +///////////////////////////////////////////////////////////////// +// LOG() +// +// Compute the logarithm of x. +///////////////////////////////////////////////////////////////// + +inline float LOG (float x){ + return log (x); +} + +///////////////////////////////////////////////////////////////// +// EXP() +// +// Computes exp(x), fr -4.6 <= x <= 0. +///////////////////////////////////////////////////////////////// + +inline float EXP (float x){ + assert (x <= 0.00f); + if (x < EXP_UNDERFLOW_THRESHOLD) return 0.0f; + return (((0.006349841068584 * x + 0.080775412572352) * x + 0.397982026296272) * x + 0.95279335963787f) * x + 0.995176455837312f; + //return (((0.00681169825657f * x + 0.08386267698832f) * x + 0.40413983195844f) * x + 0.95656674979767f) * x + 0.99556744049130f; +} +*/ + +const float EXP_UNDERFLOW_THRESHOLD = -4.6; +const float LOG_UNDERFLOW_THRESHOLD = 7.5; + +///////////////////////////////////////////////////////////////// +// LOOKUP() +// +// Computes log (exp (x) + 1), for 0 <= x <= 7.5. +///////////////////////////////////////////////////////////////// + +inline float LOOKUP (float x){ + assert (x >= 0.00f); + assert (x <= LOG_UNDERFLOW_THRESHOLD); + //return ((-0.00653779113685f * x + 0.09537236626558f) * x + 0.55317574459331f) * x + 0.68672959851568f; + if (x <= 1.00f) return ((-0.009350833524763f * x + 0.130659527668286f) * x + 0.498799810682272f) * x + 0.693203116424741f; + if (x <= 2.50f) return ((-0.014532321752540f * x + 0.139942324101744f) * x + 0.495635523139337f) * x + 0.692140569840976f; + if (x <= 4.50f) return ((-0.004605031767994f * x + 0.063427417320019f) * x + 0.695956496475118f) * x + 0.514272634594009f; + assert (x <= LOG_UNDERFLOW_THRESHOLD); + return ((-0.000458661602210f * x + 0.009695946122598f) * x + 0.930734667215156f) * x + 0.168037164329057f; + + //return (((0.00089738532761f * x - 0.01859488697982f) * x + 0.14415772028626f) * x + 0.49515490689159f) * x + 0.69311928966454f; +} + +///////////////////////////////////////////////////////////////// +// LOOKUP_SLOW() +// +// Computes log (exp (x) + 1). +///////////////////////////////////////////////////////////////// + +inline float LOOKUP_SLOW (float x){ + return log (exp (x) + 1); +} + +///////////////////////////////////////////////////////////////// +// MAX() +// +// Compute max of three numbers +///////////////////////////////////////////////////////////////// + +inline float MAX (float x, float y, float z){ + if (x >= y){ + if (x >= z) + return x; + return z; + } + if (y >= z) + return y; + return z; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS (float &x, float y){ + if (x < y) + x = (x == LOG_ZERO || y - x >= LOG_UNDERFLOW_THRESHOLD) ? y : LOOKUP(y-x) + x; + else + x = (y == LOG_ZERO || x - y >= LOG_UNDERFLOW_THRESHOLD) ? x : LOOKUP(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS_SLOW() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS_SLOW (float &x, float y){ + if (x < y) + x = (x == LOG_ZERO) ? y : LOOKUP_SLOW(y-x) + x; + else + x = (y == LOG_ZERO) ? x : LOOKUP_SLOW(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add two log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x, float y){ + if (x < y) return (x == LOG_ZERO || y - x >= LOG_UNDERFLOW_THRESHOLD) ? y : LOOKUP(y-x) + x; + return (y == LOG_ZERO || x - y >= LOG_UNDERFLOW_THRESHOLD) ? x : LOOKUP(x-y) + y; +} + + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add three log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3){ + return LOG_ADD (x1, LOG_ADD (x2, x3)); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add four log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, x4))); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add five log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4, float x5){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, LOG_ADD (x4, x5)))); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add siz log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4, float x5, float x6){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, LOG_ADD (x4, LOG_ADD (x5, x6))))); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add seven log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4, float x5, float x6, float x7){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, LOG_ADD (x4, LOG_ADD (x5, LOG_ADD (x6, x7)))))); +} + +///////////////////////////////////////////////////////////////// +// ChooseBestOfThree() +// +// Store the largest of three values x1, x2, and x3 in *x. Also +// if xi is the largest value, then store bi in *b. +///////////////////////////////////////////////////////////////// + +inline void ChooseBestOfThree (float x1, float x2, float x3, char b1, char b2, char b3, float *x, char *b){ + if (x1 >= x2){ + if (x1 >= x3){ + *x = x1; + *b = b1; + return; + } + *x = x3; + *b = b3; + return; + } + if (x2 >= x3){ + *x = x2; + *b = b2; + return; + } + *x = x3; + *b = b3; +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/StemCandidate.hpp b/binaries/src/mafft/extensions/mxscarna_src/StemCandidate.hpp new file mode 100644 index 0000000..e1678d6 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/StemCandidate.hpp @@ -0,0 +1,129 @@ +///////////////////////////////////////////////////////////// +// StemCandidate.hpp +// Profile Stem Candidate calcurated by profile base pairing +// probability matrix +//////////////////////////////////////////////////////////// + +#ifndef __STEMCANDIDATE_HPP__ +#define __STEMCANDIDATE_HPP__ + +#include +#include + +using namespace std; + +namespace MXSCARNA { +class StemCandidate { +private: + int numSeq; /* the number of sequences in the profile */ + int length; /* length of profile stem candidate of fixed length */ + int position; /* 5' start position of SC in profile */ + int distance; + std::vector substr; /* profile base string of SC */ + std::vector rvstr; /* profile base string of stem partner of SC */ + int rvposition; /* 3' end position of stem partner of SC */ + int rvscnumber; /* SC number of stem partner */ + int contPos; /* previous stem that corresponds continuous stem and has position -1. */ + int beforePos; /* most recent stem that doesn't overlap to SC and has position -len. */ + float score; /* score of the sum of base pairing probability matrix */ + std::vector baseScore; + float stacking; /* the mean of stacking energy */ + float stemStacking; /* the mean of 1-continuous stacking energy */ + +public: + StemCandidate() : numSeq(0), length(0), position(0), distance(0), + rvposition(0), rvscnumber(0), contPos(-1), beforePos(0), + score(0), stacking(0), stemStacking(0) {} + StemCandidate(int numSeq, int length) : numSeq(numSeq), length(length), + substr(numSeq), rvstr(numSeq), + contPos(-1) { } + + void SetNumSeq(int num) { numSeq = num; } + void SetLength(int len) { length = len; } + void SetNumSubstr(int num) { + substr.resize(num); + for(int i = 0; i < num; i++) { + string &tmpStr = substr[i]; + tmpStr = ""; + substr[i] = tmpStr; + } + } + void SetNumRvstr(int num) { + rvstr.resize(num); + + for(int i = 0; i < num; i++) { + string &tmpStr = rvstr[i]; + tmpStr = ""; + rvstr[i] = tmpStr; + } + } + void SetPosition(int pos) { position = pos; } + + void AddSubstr(int num, char word) { + std::string &tmpStr = substr[num]; + tmpStr += word; + substr[num] = tmpStr; + } + + void AddRvstr(int num, char word) { + std::string &tmpStr = rvstr[num]; + tmpStr += word; + rvstr[num] = tmpStr; + } + + void AddBaseScore(float score) { + baseScore.push_back(score); + } + + void SetRvposition(int pos) { rvposition = pos; } + void SetRvscnumber(int num) { rvscnumber = num; } + void SetContPos(int pos) { contPos = pos; } + void SetBeforePos(int pos) { beforePos = pos; } + void SetDistance(int d) { distance = d; } + void SetScore(float s) { score = s; } + void AddScore(float s) { score += s; } + void SetStacking(float s) { stacking = s; } + void AddStacking(float s) { stacking += s; } + void SetStemStacking(float s) { stemStacking = s; } + int GetNumSeq() const { return numSeq; } + int GetLength() const { return length; } + int GetPosition() const { return position; } + + string GetSubstr(int num) const { + const std::string &tmpStr = substr[num]; + return tmpStr; + } + string GetRvstr(int num) const { + const std::string &tmpStr = rvstr[num]; + return tmpStr; + } + float GetBaseScore(int i) const { + return baseScore[i]; + } + int GetRvposition() const { + return rvposition; + } + int GetRvscnumber() const { + return rvscnumber; + } + int GetContPos() const { + return contPos; + } + int GetBeforePos() const { + return beforePos; + } + int GetDistance() const { + return distance; + } + float GetScore() const { + return score; + } + float GetStacking() const { + return stacking; + } + float GetStemStacking() const { + return stemStacking; + } +}; +} +#endif // __STEMCANDIDATE_HPP__ diff --git a/binaries/src/mafft/extensions/mxscarna_src/Util.hpp b/binaries/src/mafft/extensions/mxscarna_src/Util.hpp new file mode 100644 index 0000000..eab7667 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/Util.hpp @@ -0,0 +1,102 @@ +#ifndef UTIL_H +#define UTIL_H + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +//#include // mingw de error, by katoh +#include + +namespace ProbCons { + +const double IMPOSSIBLE = -FLT_MAX + 1000; +const double IMPOSSIBLEDBL = -DBL_MAX + 10000; + +namespace MXSCARNA { +template +inline bool +IsPossible(const T& v) { + return (v > (IMPOSSIBLE + 1.0e-5)); +} + +template +inline T +logSum(const T& a, const T& b) +{ + if (a >= b) { + return a + log(1.0 + exp(b - a)); + } else { + return b + log(1.0 + exp(a - b)); + } +} + +template +inline T +logSub(const T&a, const T& b) +{ + if(a > b) { + return log(exp(a) - exp(b)); + } + else { + return log(exp(a) - exp(b)); + } +} + +template +inline T +logSum(const T& a, const T& b, const T& c) +{ + if (a >= b) { + if( a >= c ) { + return a + log(1.0 + (exp(b - a) + exp(c - a))); + } + else { + if( b >= c) { + return b + log(exp(a - b) + 1.0 + exp(c - b)); + } + } + } + return c + log(exp(a - c) + exp(b - c) + 1.0); +} + +} + +template +inline T +logSumExp(const T& x, const T& y) +{ + if(x == y) return x + 0.69314718055; + double vmin = std::min(x, y); + double vmax = std::max(x, y); + + if (vmax > vmin + 50) { + return vmax; + } + else { + return vmax + std::log (std::exp (vmin - vmax) + 1.0); + } +} +} +#endif /* UTIL_H */ diff --git a/binaries/src/mafft/extensions/mxscarna_src/config.h b/binaries/src/mafft/extensions/mxscarna_src/config.h new file mode 100644 index 0000000..51c27b8 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/config.h @@ -0,0 +1,86 @@ +/* config.h. Generated by configure. */ +/* config.h.in. Generated from configure.in by autoheader. */ + +/* Define to 1 if you have the `erand48' function. */ +#define HAVE_ERAND48 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_INTTYPES_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_MALLOC_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_MEMORY_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_STDINT_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_STDLIB_H 1 + +/* Define to 1 if you have the `strchr' function. */ +#define HAVE_STRCHR 1 + +/* Define to 1 if you have the `strdup' function. */ +#define HAVE_STRDUP 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_STRINGS_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_STRING_H 1 + +/* Define to 1 if you have the `strstr' function. */ +#define HAVE_STRSTR 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_SYS_STAT_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_SYS_TYPES_H 1 + +/* Define to 1 if you have the header file. */ +#define HAVE_UNISTD_H 1 + +/* Name of package */ +#define PACKAGE "ViennaRNA" + +/* Define to the address where bug reports for this package should be sent. */ +#define PACKAGE_BUGREPORT "rna@tbi.univie.ac.at" + +/* Define to the full name of this package. */ +#define PACKAGE_NAME "ViennaRNA" + +/* Define to the full name and version of this package. */ +#define PACKAGE_STRING "ViennaRNA 1.6.1" + +/* Define to the one symbol short name of this package. */ +#define PACKAGE_TARNAME "ViennaRNA" + +/* Define to the version of this package. */ +#define PACKAGE_VERSION "1.6.1" + +/* Define to 1 if you have the ANSI C header files. */ +#define STDC_HEADERS 1 + +/* only for gcc */ +#define UNUSED __attribute__ ((unused)) + +/* Version number of package */ +#define VERSION "1.6.1" + +/* Define if using the dmalloc debugging malloc package */ +/* #undef WITH_DMALLOC */ + +/* Define to empty if `const' does not conform to ANSI C. */ +/* #undef const */ + +/* Define to `__inline__' or `__inline' if that's what the C compiler + calls it, or to nothing if 'inline' is not supported under any name. */ +#ifndef __cplusplus +/* #undef inline */ +#endif + +/* Define to `unsigned' if does not define. */ +/* #undef size_t */ diff --git a/binaries/src/mafft/extensions/mxscarna_src/nrutil.h b/binaries/src/mafft/extensions/mxscarna_src/nrutil.h new file mode 100644 index 0000000..3a33874 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/nrutil.h @@ -0,0 +1,991 @@ +/* + McCaskill's Algorithm -- The algorithm calculates a base paring probability matrix from the input of one sequence. + + $Id: nrutil.h,v 1.0 2005/10/20 14:22 $; + + Copyright (C) 2005 Yasuo Tabei + + This is free software with ABSOLUTELY NO WARRANTY. + + This library is free software; you can redistribute it and/or + modify it under the terms of the GNU Lesser General Public + License as published by the Free Software Foundation; either + version 2.1 of the License, or (at your option) any later version. + + This library is distributed in the hope that it will be useful, + but WITHOUT ANY WARRANTY; without even the implied warranty of + MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU + Lesser General Public License for more details. + + You should have received a copy of the GNU Lesser General Public + License along with this library; if not, write to the Free Software + Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA +*/ + +#ifndef _NR_UTIL_H_ +#define _NR_UTIL_H_ +#include +#include +#include +#include +#include // by katoh + +using namespace std; + +typedef double DP; + +template +inline const T SQR(const T a) {return a*a;} + +template +inline const T MAX(const T &a, const T &b) +{return b > a ? (b) : (a);} + +inline float MAX(const double &a, const float &b) +{return b > a ? (b) : float(a);} + +inline float MAX(const float &a, const double &b) +{return b > a ? float(b) : (a);} + +template +inline const T MIN(const T &a, const T &b) +{return b < a ? (b) : (a);} + +inline float MIN(const double &a, const float &b) +{return b < a ? (b) : float(a);} + +inline float MIN(const float &a, const double &b) +{return b < a ? float(b) : (a);} + +template +inline const T SIGN(const T &a, const T &b) +{return b >= 0 ? (a >= 0 ? a : -a) : (a >= 0 ? -a : a);} + +inline float SIGN(const float &a, const double &b) +{return b >= 0 ? (a >= 0 ? a : -a) : (a >= 0 ? -a : a);} + +inline float SIGN(const double &a, const float &b) +{return b >= 0 ? (a >= 0 ? a : -a) : (a >= 0 ? -a : a);} + +template +inline void SWAP(T &a, T &b) +{T dum=a; a=b; b=dum;} +namespace NR { + inline void nrerror(const string error_text) +// Numerical Recipes standard error handler + { + cerr << "Numerical Recipes run-time error..." << endl; + cerr << error_text << endl; + cerr << "...now exiting to system..." << endl; + exit(1); + } +} + +template +class NRVec { + private: + int nn; // size of array. upper index is nn-1 + T *v; + public: + NRVec(); + explicit NRVec(int n); // Zero-based array + NRVec(const T &a, int n); //initialize to constant value + NRVec(const T *a, int n); // Initialize to array + NRVec(const NRVec &rhs); // Copy constructor + NRVec & operator=(const NRVec &rhs); //assignment + NRVec & operator=(const T &a); //assign a to every element + inline T & operator[](const int i); //i¡Çth element + inline const T & operator[](const int i) const; + void Allocator(int i); + inline int size() const; + ~NRVec(); +}; + +template +NRVec::NRVec() : nn(0), v(0) {} + +template +NRVec::NRVec(int n) : nn(n), v(new T[n]) {} + +template +NRVec::NRVec(const T& a, int n) : nn(n), v(new T[n]) +{ + for(int i=0; i +NRVec::NRVec(const T *a, int n) : nn(n), v(new T[n]) +{ +for(int i=0; i +void NRVec::Allocator(int n = 0) +{ + v = new T[n]; +} + +template +NRVec::NRVec(const NRVec &rhs) : nn(rhs.nn), v(new T[nn]) +{ + for(int i=0; i +NRVec & NRVec::operator=(const NRVec &rhs) +// postcondition: normal assignment via copying has been performed; +// if vector and rhs were different sizes, vector +// has been resized to match the size of rhs +{ + if (this != &rhs) +{ + if (nn != rhs.nn) { + if (v != 0) delete [] (v); + nn=rhs.nn; + v= new T[nn]; + } + for (int i=0; i +NRVec & NRVec::operator=(const T &a) //assign a to every element +{ + for (int i=0; i +inline T & NRVec::operator[](const int i) //subscripting +{ + return v[i]; +} + +template +inline const T & NRVec::operator[](const int i) const //subscripting +{ + return v[i]; +} + +template +inline int NRVec::size() const +{ + return nn; +} + +template +NRVec::~NRVec() +{ + if (v != 0) + delete[] (v); +} + +template +class NRMat { + private: + int nn; + int mm; + T **v; + public: + NRMat(); + NRMat(int n, int m); // Zero-based array + NRMat(const T &a, int n, int m); //Initialize to constant + NRMat(const T *a, int n, int m); // Initialize to array + NRMat(const NRMat &rhs); // Copy constructor + void Allocator(int n, int m); + void Allocator(const T &a, int n, int m); + void Allocator(const T *a, int n, int m); + NRMat & operator=(const NRMat &rhs); //assignment + NRMat & operator=(const T &a); //assign a to every element + inline T* operator[](const int i); //subscripting: pointer to row i + inline const T* operator[](const int i) const; + inline T & ref(const int i, const int j); + inline const T ref(const int i, const int j) const; + inline int nrows() const; + inline int ncols() const; + ~NRMat(); +}; + +template +NRMat::NRMat() : nn(0), mm(0), v(0) {} + +template +NRMat::NRMat(int n, int m) : nn(n), mm(m), v(new T*[n]) +{ + v[0] = new T[m*n]; + for (int i=1; i< n; i++) + v[i] = v[i-1] + m; +} + +template +NRMat::NRMat(const T &a, int n, int m) : nn(n), mm(m), v(new T*[n]) +{ + int i,j; + v[0] = new T[m*n]; + for (i=1; i< n; i++) + v[i] = v[i-1] + m; + for (i=0; i< n; i++) + for (j=0; j +NRMat::NRMat(const T *a, int n, int m) : nn(n), mm(m), v(new T*[n]) +{ + int i,j; + v[0] = new T[m*n]; + for (i=1; i< n; i++) + v[i] = v[i-1] + m; + for (i=0; i< n; i++) + for (j=0; j +void NRMat::Allocator(int n, int m) +{ + if( v != 0 ) { + delete[] (v[0]); delete (v); + } + + nn = n; mm = m; v = new T*[n]; + + v[0] = new T[m*n]; + for (int i=1; i< n; i++) + v[i] = v[i-1] + m; +} + +template +void NRMat::Allocator(const T &a, int n, int m) +{ + if( v != 0 ) { + delete[] (v[0]); delete (v); + } + + int i,j; + + nn = n; mm = m; v = new T*[n]; + + v[0] = new T[m*n]; + for (i=1; i< n; i++) + v[i] = v[i-1] + m; + for (i=0; i< n; i++) + for (j=0; j +void NRMat::Allocator(const T *a, int n, int m) +{ + if( v != 0 ) { + delete[] (v[0]); delete (v); + } + + int i,j; + + nn = n; mm = m; v = new T*[n]; + + v[0] = new T[m*n]; + for (i=1; i< n; i++) + v[i] = v[i-1] + m; + for (i=0; i< n; i++) + for (j=0; j +NRMat::NRMat(const NRMat &rhs) : nn(rhs.nn), mm(rhs.mm), v(new T*[nn]) +{ + int i,j; + v[0] = new T[mm*nn]; + for (i=1; i< nn; i++) + v[i] = v[i-1] + mm; + for (i=0; i< nn; i++) + for (j=0; j +NRMat & NRMat::operator=(const NRMat &rhs) +// postcondition: normal assignment via copying has been performed; +// if matrix and rhs were different sizes, matrix +// has been resized to match the size of rhs +{ + if (this != &rhs) { + int i,j; + if (nn != rhs.nn || mm != rhs.mm) { + if (v != 0) { + delete[] (v[0]); + delete[] (v); + } + nn=rhs.nn; + mm=rhs.mm; + v = new T*[nn]; + v[0] = new T[mm*nn]; + } + for (i=1; i< nn; i++) + v[i] = v[i-1] + mm; + for (i=0; i< nn; i++) + for (j=0; j +NRMat & NRMat::operator=(const T &a) //assign a to every element +{ + for (int i=0; i< nn; i++) + for (int j=0; j +inline T* NRMat::operator[](const int i) //subscripting: pointer to row i +{ + return v[i]; +} + +template +inline const T* NRMat::operator[](const int i) const +{ + return v[i]; +} + +template +inline T & NRMat::ref(const int i, const int j) +{ + return v[i][j]; +} + +template +inline const T NRMat::ref(const int i, const int j) const +{ + return v[i][j]; +} + +template +inline int NRMat::nrows() const +{ + return nn; +} + +template +inline int NRMat::ncols() const +{ + return mm; +} + +template +NRMat::~NRMat() +{ + if (v != 0) { + delete[] (v[0]); + delete[] (v); + } +} + +template +class NRMat3d { + private: + int nn; + int mm; + int kk; + T ***v; + public: + NRMat3d(); + NRMat3d(int n, int m, int k); + inline void Allocator(int n, int m, int k); + inline T** operator[](const int i); //subscripting: pointer to row i + inline const T* const * operator[](const int i) const; + inline int dim1() const; + inline int dim2() const; + inline int dim3() const; + ~NRMat3d(); +}; + +template +NRMat3d::NRMat3d(): nn(0), mm(0), kk(0), v(0) {} +template +NRMat3d::NRMat3d(int n, int m, int k) : nn(n), mm(m), kk(k), v(new T**[n]) +{ + int i,j; + v[0] = new T*[n*m]; + v[0][0] = new T[n*m*k]; + for(j=1; j +inline void NRMat3d::Allocator(int n, int m, int k) +{ + int i,j; + v[0] = new T*[n*m]; + v[0][0] = new T[n*m*k]; + for(j=1; j +inline T** NRMat3d::operator[](const int i) //subscripting: pointer to row i +{ + return v[i]; +} + +template +inline const T* const * NRMat3d::operator[](const int i) const +{ + return v[i]; +} + +template +inline int NRMat3d::dim1() const +{ + return nn; +} + +template +inline int NRMat3d::dim2() const +{ + return mm; +} + +template +inline int NRMat3d::dim3() const +{ + return kk; +} + +template +NRMat3d::~NRMat3d() +{ + if (v != 0) { + delete[] (v[0][0]); + delete[] (v[0]); + delete[] (v); + } +} + +//The next 3 classes are used in artihmetic coding, Huffman coding, and +//wavelet transforms respectively. This is as good a place as any to put them! +class arithcode { + private: + NRVec *ilob_p,*iupb_p,*ncumfq_p; + public: + NRVec &ilob,&iupb,&ncumfq; + unsigned long jdif,nc,minint,nch,ncum,nrad; + arithcode(unsigned long n1, unsigned long n2, unsigned long n3) + : ilob_p(new NRVec(n1)), + iupb_p(new NRVec(n2)), + ncumfq_p(new NRVec(n3)), + ilob(*ilob_p),iupb(*iupb_p),ncumfq(*ncumfq_p) {} + ~arithcode() { + if (ilob_p != 0) delete ilob_p; + if (iupb_p != 0) delete iupb_p; + if (ncumfq_p != 0) delete ncumfq_p; + } +}; + +class huffcode { + private: + NRVec *icod_p,*ncod_p,*left_p,*right_p; + public: + NRVec &icod,&ncod,&left,&right; + int nch,nodemax; + huffcode(unsigned long n1, unsigned long n2, unsigned long n3, + unsigned long n4) : + icod_p(new NRVec(n1)), + ncod_p(new NRVec(n2)), + left_p(new NRVec(n3)), + right_p(new NRVec(n4)), + icod(*icod_p),ncod(*ncod_p),left(*left_p),right(*right_p) {} + ~huffcode() { + if (icod_p != 0) delete icod_p; + if (ncod_p != 0) delete ncod_p; + if (left_p != 0) delete left_p; + if (right_p != 0) delete right_p; + } +}; + +class wavefilt { + private: + NRVec *cc_p,*cr_p; + public: + int ncof,ioff,joff; + NRVec &cc,&cr; + wavefilt() : cc(*cc_p),cr(*cr_p) {} + wavefilt(const DP *a, const int n) : //initialize to array + cc_p(new NRVec(n)),cr_p(new NRVec(n)), + ncof(n),ioff(-(n >> 1)),joff(-(n >> 1)),cc(*cc_p),cr(*cr_p) { + int i; + for (i=0; i +class Trimat { + private: + int nn; + T **v; + inline T* operator[](const int i); //subscripting: pointer to row i + inline const T* operator[](const int i) const; + public: + Trimat(); + Trimat(int n); // Zero-based array + Trimat(const T &a, int n); //Initialize to constant + Trimat(const T *a, int n); // Initialize to array + Trimat(const Trimat &rhs); // Copy constructor + void Allocator(int n); + void Allocator(const T &a, int n); + void Allocator(const T *a, int n); + Trimat & operator=(const Trimat &rhs); //assignment + Trimat & operator=(const T &a); //assign a to every element + inline T & ref(const int i, const int j); + inline T * getPointer(const int i, const int j); + inline T * begin() const; + inline T * end() const; + inline const T ref(const int i, const int j) const; + inline int nrows() const; + ~Trimat(); +}; + +template +Trimat::Trimat() : nn(0), v(0) {} + +template +Trimat::Trimat(int n) : nn(n), v(new T*[n]) +{ + v[0] = new T[n*(n+1)/2]; + for (int i=1; i< n; i++) + v[i] = v[i-1] + (n-i+1); + + for (int i=0; i< n; i++) + for (int j=0; j<(n-i); j++) + v[i][j] = 0; +} +template +Trimat::Trimat(const T &a, int n) : nn(n), v(new T*[n]) +{ + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i< n; i++) + v[i] = v[i-1] + (n-i+1); + for (i=0; i< n; i++) + for (j=0; j<(n-i); j++) + v[i][j] = a; +} + +template +Trimat::Trimat(const T *a, int n) : nn(n), v(new T*[n]) +{ + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i< n; i++) + v[i] = v[i-1] + (n-i+1); + for (i=0; i< n; i++) + for (j=0; j<(n-i); j++) + v[i][j] = *a++; +} + + +template +void Trimat::Allocator(int n) +{ + nn = n; v = new T*[n]; + + v[0] = new T[n*(n+1)/2]; + for (int i=1; i< n; i++) + v[i] = v[i-1] + (n-i+1); +} + +template +void Trimat::Allocator(const T &a, int n) +{ + nn = n; v = new T*[n]; + + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i < n; i++) + v[i] = v[i-1] + (n-i+1); + for (i=0; i < n; i++) + for (j=0; j < (n-i); j++) + v[i][j] = a; +} + +template +void Trimat::Allocator(const T *a, int n) +{ + nn = n; v = new T*[n]; + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i< n; i++) + v[i] = v[i-1] + (n-i+1); + for (i=0; i< n; i++) + for (j=0; j<(n-i); j++) + v[i][j] = *a++; +} + + +template +Trimat::Trimat(const Trimat &rhs) : nn(rhs.nn), v(new T*[nn]) +{ + int i,j; + v[0] = new T[nn*(nn+1)/2]; + for (i=1; i< nn; i++) + v[i] = v[i-1] + (nn-i+1); + for (i=0; i< nn; i++) + for (j=0; j<(nn-i); j++) + v[i][j] = rhs[i][j]; +} +template +Trimat & Trimat::operator=(const Trimat &rhs) +// postcondition: normal assignment via copying has been performed; +// if matrix and rhs were different sizes, matrix +// has been resized to match the size of rhs +{ + if (this != &rhs) { + int i,j; + if (nn != rhs.nn) { + if (v != 0) { + delete[] (v[0]); + delete[] (v); + } + nn=rhs.nn; + v = new T*[nn]; + v[0] = new T[nn*(nn+1)/2]; + } + for (i=1; i< nn; i++) + v[i] = v[i-1] + (nn-i+1); + for (i=0; i< nn; i++) + for (j=0; j<(nn-i); j++) + v[i][j] = rhs[i][j]; + } + return *this; +} + +template +Trimat & Trimat::operator=(const T &a) //assign a to every element +{ + for (int i=0; i< nn; i++) + for (int j=0; j +inline T & Trimat::ref(const int i, const int j) +{ + return v[i][j-i]; +} + +template +inline const T Trimat::ref(const int i, const int j) const +{ + return v[i][j-i]; +} + +template +inline T * Trimat::getPointer(const int i, const int j) +{ + return &v[i][j-i]; +} + +template +inline T * Trimat::begin() const +{ + return &v[0][0]; +} + +template +inline T * Trimat::end() const +{ + return (&v[nn-1][0] + 1); +} + +template +inline int Trimat::nrows() const +{ + return nn; +} + +template +Trimat::~Trimat() +{ + if (v != 0) { + delete[] (v[0]); + delete[] (v); + } +} + + +/* Triangle Vertical Matrix Class + --------------------------------------------------------- + |v[0][0]|v[1][0]| | | |v[n-1][0]| + |-------|-------|------|------------|---------|---------| + |v[0][1]|v[1][1]| | |v[n-2][1]| | + |-------|-------|------|------------|---------|---------| + | | | | | | | + |-------|-------|------|------------|---------|---------| + | | | + | | | + | | | + |-------|-----------------------------------------------| + | | | + |-------|-----------------------------------------------| + |v[0][n-2]|v[n-2][n-2]| | + |-------|-----------------------------------------------| + |v[0][n-1]| | + |-------------------------------------------------------| + */ +template +class TriVertMat { + private: + int nn; + T **v; + inline T* operator[](const int i); //subscripting: pointer to row i + inline const T* operator[](const int i) const; + public: + TriVertMat(); + TriVertMat(int n); // Zero-based array + TriVertMat(const T &a, int n); //Initialize to constant + TriVertMat(const T *a, int n); // Initialize to array + TriVertMat(const TriVertMat &rhs); // Copy constructor + void Allocator(int n); + void Allocator(const T &a, int n); + void Allocator(const T *a, int n); + TriVertMat & operator=(const TriVertMat &rhs); //assignment + TriVertMat & operator=(const T &a); //assign a to every element + inline T & ref(const int i, const int j); + inline T * getPointer(const int i, const int j); + inline const T ref(const int i, const int j) const; + inline int nrows() const; + ~TriVertMat(); +}; + +template +TriVertMat::TriVertMat() : nn(0), v(0) {} + +template +TriVertMat::TriVertMat(int n) : nn(n), v(new T*[n]) +{ + v[0] = new T[n*(n+1)/2]; + for (int i=1; i< n; i++) + v[i] = v[i-1] + i; +} + +template +TriVertMat::TriVertMat(const T &a, int n) : nn(n), v(new T*[n]) +{ + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i< n; i++) + v[i] = v[i-1] + i; + for (i=0; i< n; i++) + for (j=0; j<(n-i); j++) + v[i][j] = a; +} + +template +TriVertMat::TriVertMat(const T *a, int n) : nn(n), v(new T*[n]) +{ + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i< n; i++) + v[i] = v[i-1] + i; + for (i=0; i< n; i++) + for (j=0; j<(n-i); j++) + v[i][j] = *a++; +} + + +template +void TriVertMat::Allocator(int n) +{ + nn = n; v = new T*[n]; + + v[0] = new T[n*(n+1)/2]; + for (int i=1; i< n; i++) + v[i] = v[i-1] + i; +} + +template +void TriVertMat::Allocator(const T &a, int n) +{ + nn = n; v = new T*[n]; + + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i< n; i++) + v[i] = v[i-1] + i; + for (i=0; i< n; i++) + for (j=0; j<(n-i); j++) + v[i][j] = a; +} + +template +void TriVertMat::Allocator(const T *a, int n) +{ + nn = n; v = new T*[n]; + int i,j; + v[0] = new T[n*(n+1)/2]; + for (i=1; i< n; i++) + v[i] = v[i-1] + i; + for (i=0; i< n; i++) + for (j=0; j<(n-i); j++) + v[i][j] = *a++; +} + + +template +TriVertMat::TriVertMat(const TriVertMat &rhs) : nn(rhs.nn), v(new T*[nn]) +{ + int i,j; + v[0] = new T[nn*(nn+1)/2]; + for (i=1; i< nn; i++) + v[i] = v[i-1] + i; + for (i=0; i< nn; i++) + for (j=0; j<(nn-i); j++) + v[i][j] = rhs[i][j]; +} +template +TriVertMat & TriVertMat::operator=(const TriVertMat &rhs) +// postcondition: normal assignment via copying has been performed; +// if matrix and rhs were different sizes, matrix +// has been resized to match the size of rhs +{ + if (this != &rhs) { + int i,j; + if (nn != rhs.nn) { + if (v != 0) { + delete[] (v[0]); + delete[] (v); + } + nn=rhs.nn; + v = new T*[nn]; + v[0] = new T[nn*(nn+1)/2]; + } + for (i=1; i< nn; i++) + v[i] = v[i-1] + i; + for (i=0; i< nn; i++) + for (j=0; j<(nn-i); j++) + v[i][j] = rhs[i][j]; + } + return *this; +} + +template +TriVertMat & TriVertMat::operator=(const T &a) //assign a to every element +{ + for (int i=0; i< nn; i++) + for (int j=0; j +inline T & TriVertMat::ref(const int i, const int j) +{ + return v[j][i]; +} + +template +inline const T TriVertMat::ref(const int i, const int j) const +{ + return v[j][i]; +} + +template +inline T * TriVertMat::getPointer(const int i, const int j) +{ + return &v[j][i]; +} + +template +inline int TriVertMat::nrows() const +{ + return nn; +} + +template +TriVertMat::~TriVertMat() +{ + if (v != 0) { + delete[] (v[0]); + delete[] (v); + } +} + + +//Overloaded complex operations to handle mixed float and double +//This takes care of e.g. 1.0/z, z complex +inline const complex operator+(const double &a, + const complex &b) { return float(a)+b; } +inline const complex operator+(const complex &a, + const double &b) { return a+float(b); } +inline const complex operator-(const double &a, + const complex &b) { return float(a)-b; } +inline const complex operator-(const complex &a, + const double &b) { return a-float(b); } +inline const complex operator*(const double &a, + const complex &b) { return float(a)*b; } +inline const complex operator*(const complex &a, + const double &b) { return a*float(b); } +inline const complex operator/(const double &a, + const complex &b) { return float(a)/b; } +inline const complex operator/(const complex &a, + const double &b) { return a/float(b); } +//some compilers choke on pow(float,double) in single precision. also atan2 +inline float pow (float x, double y) {return pow(double(x),y);} +inline float pow (double x, float y) {return pow(x,double(y));} +inline float atan2 (float x, double y) {return atan2(double(x),y);} +inline float atan2 (double x, float y) {return atan2(x,double(y));} + +#endif /* _NR_UTIL_H_ */ diff --git a/binaries/src/mafft/extensions/mxscarna_src/params-weird b/binaries/src/mafft/extensions/mxscarna_src/params-weird new file mode 100644 index 0000000..58601f4 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/params-weird @@ -0,0 +1,10 @@ +0.8969780803 0.0000000001 0.0000000001 0.0515111387 0.0515111387 +0.0006874357 0.0006874357 0.0502248816 0.0502248816 +0.1025763303 0.1025763303 0.2891978920 0.2891978920 +ACGTN +0.1907979101 +0.0187792275 0.2023714036 +0.0437292010 0.0242512580 0.2525959611 +0.0171148051 0.0289713815 0.0146772768 0.1689696163 +0.0000359111 0.0000737346 0.0000853324 0.0000768761 0.0000296087 +0.1390289217 0.2925130725 0.1882306933 0.2944687903 0.0016553127 diff --git a/binaries/src/mafft/extensions/mxscarna_src/postProcessings.cpp b/binaries/src/mafft/extensions/mxscarna_src/postProcessings.cpp new file mode 100644 index 0000000..1028630 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/postProcessings.cpp @@ -0,0 +1,91 @@ +////////////////////////////////////////////////////////////////////////////////////// +// postProcessings.cpp +// +// several post process functions after aligning two profile stem candidate sequences +////////////////////////////////////////////////////////////////////////////////////// + +#include +#include "scarna.hpp" +#include "StemCandidate.hpp" +#include +#include + +using namespace::MXSCARNA; + +void printStructure(std::vector *pscs1, std::vector *pscs2, std::vector *matchPSCS1, std::vector *matchPSCS2); + +void removeConflicts(std::vector *pscs1, std::vector *pscs2, std::vector *matchPSCS1, std::vector *matchPSCS2) +{ + int size = matchPSCS1->size(); + + std::vector found(size, 0); + for(int k = size - 1; k >= 0; k--) { + int i = matchPSCS1->at(k); + int i_rv = pscs1->at(i).GetRvscnumber(); + int j = matchPSCS2->at(k); + int j_rv = pscs2->at(j).GetRvscnumber(); + + found[k] = 0; + + for(int m = size - 1; m >= 0; m--) { + if ( (matchPSCS1->at(m) == i_rv) && (matchPSCS2->at(m) == j_rv) ) { + found[k] = 1; + break; + } + } + } + + int pt = 0; + for(int k = 0; k < size; k++) { + matchPSCS1->at(pt) = matchPSCS1->at(k); + matchPSCS2->at(pt) = matchPSCS2->at(k); + if(found[k] == 1) ++pt; + } + + matchPSCS1->resize(pt); + matchPSCS2->resize(pt); + + //printStructure (pscs1, pscs2, matchPSCS1, matchPSCS2); +} + +void printStructure(std::vector *pscs1, std::vector *pscs2, std::vector *matchPSCS1, std::vector *matchPSCS2) +{ + int size = matchPSCS1->size(); + int len = WORDLENGTH; + std::vector structure1(100, '.'); + std::vector structure2(100, '.'); + for(int k = 0; k < size; k++) { + int i = matchPSCS1->at(k); + int pos1 = pscs1->at(i).GetPosition(); + int j = matchPSCS2->at(k); + int pos2 = pscs2->at(j).GetPosition(); + for(int l = 0; l < len; l++) { + if(pscs1->at(i).GetDistance() > 0) { + structure1[pos1 + l] = '('; + } + else { + structure1[pos1 + l] = ')'; + } + + if(pscs2->at(j).GetDistance() > 0) { + structure2[pos2 + l] = '('; + } + else { + structure2[pos2 + l] = ')'; + } + } + /* + std::cout << i << "\t" << pscs1->at(i).GetLength() << "\t" << pscs1->at(i).GetPosition() << "\t" << pscs1->at(i).GetRvposition() << "\t" << pscs1->at(i).GetDistance() << "\t" << pscs1->at(i).GetContPos() << "\t" << pscs1->at(i).GetBeforePos() << "\t" << pscs1->at(i).GetRvscnumber() << endl; + */ + } + size = structure1.size(); + for(int k = 0; k < size; k++) { + std::cout << structure1[k]; + } + std::cout << endl; + for(int k = 0; k < size; k++) { + std::cout << structure2[k]; + } + std::cout << endl; +} + diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/CompareToRef.cc b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/CompareToRef.cc new file mode 100644 index 0000000..142fa4c --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/CompareToRef.cc @@ -0,0 +1,348 @@ +///////////////////////////////////////////////////////////////// +// CompareToRef.cc +// +// Program for scoring alignments according to the SUM-OF-PAIRS +// or COLUMN score. +///////////////////////////////////////////////////////////////// + +#include "SafeVector.h" +#include "MultiSequence.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +const char CORE_BLOCK = 'h'; +typedef pair PII; +bool useCoreBlocks = false; +bool useColScore = false; +bool useCaps = false; +bool useBaliAnnot = false; +bool makeAnnot = false; + +///////////////////////////////////////////////////////////////// +// Function prototypes +///////////////////////////////////////////////////////////////// + +set ComputePairs (MultiSequence *align, bool isRef); +set ComputeColumns (MultiSequence *align, bool isRef); +string GetName (string s); +set coreCols; + +set refCols, testCols; +set refPairs, testPairs; +VI annotation; + +///////////////////////////////////////////////////////////////// +// main() +// +// Main program. +///////////////////////////////////////////////////////////////// + +int main (int argc, char **argv){ + + // check arguments + if (argc < 3){ + cerr << "Usage: score TEST_ALIGNMENT REFERENCE_ALIGNMENT [BALIBASE_ANNOT_FILE] [-col] [-core] [-caps] [-annot FILENAME]" << endl; + exit (1); + } + + // try opening file + FileBuffer infile (argv[1]); + + MultiSequence *testAlign; + if (infile.fail()){ + cerr << "ERROR: Could not open file '" << argv[1] << "' for reading." << endl; + testAlign = NULL; + } + else { + testAlign = new MultiSequence(); assert (testAlign); + testAlign->LoadMFA (infile); + } + infile.close(); + + MultiSequence *refAlign = new MultiSequence (string (argv[2])); assert (refAlign); + + string outFilename = ""; + + for (int i = 3; i < argc; i++){ + if (strcmp (argv[i], "-core") == 0) + useCoreBlocks = true; + else if (strcmp (argv[i], "-col") == 0) + useColScore = true; + else if (strcmp (argv[i], "-caps") == 0) + useCaps = true; + else if (strcmp (argv[i], "-annot") == 0){ + makeAnnot = true; + outFilename = string (argv[++i]); + } + else { // annotation file + useBaliAnnot = true; + + ifstream annotFile (argv[i]); + if (annotFile.fail()){ + cerr << "ERROR: Could not read BAliBASE annotation file." << endl; + exit (1); + } + + SafeVector *indices = refAlign->GetSequence(0)->GetMapping(); + + char buffer[10000]; + while (annotFile.getline (buffer, 10000)){ + istringstream ss; + ss.str (string (buffer)); + + string s; + + if ((ss >> s) && s == string ("BPOS")){ + while (ss >> s){ + int begin=-1, end=-1; + if (sscanf (s.c_str(), "%d=%d", &begin, &end) == 2){ + for (int i = (*indices)[begin]; i <= (*indices)[end]; i++) + coreCols.insert (i); + } + } + } + } + + delete indices; + + annotFile.close(); + } + } + + if (useColScore) makeAnnot = false; + + if (testAlign){ + for (int i = 0; i < testAlign->GetNumSequences(); i++){ + bool found = false; + + for (int j = 0; !found && j < refAlign->GetNumSequences(); j++){ + if (testAlign->GetSequence(i)->GetHeader() == refAlign->GetSequence(j)->GetHeader()) + found = true; + } + + if (!found){ + testAlign->RemoveSequence (i); + i--; + } + } + + for (int i = 0; i < refAlign->GetNumSequences(); i++){ + bool found = false; + + for (int j = 0; !found && j < testAlign->GetNumSequences(); j++){ + if (refAlign->GetSequence(i)->GetHeader() == testAlign->GetSequence(j)->GetHeader()) + found = true; + } + + if (!found){ + refAlign->RemoveSequence (i); + i--; + } + } + + testAlign->SortByHeader(); + refAlign->SortByHeader(); + } + + int TP = 0; + int TPFN = 0; + int TPFP = 0; + double FD, FM; + if (useColScore){ + refCols = ComputeColumns (refAlign, true); + if (testAlign) testCols = ComputeColumns (testAlign, false); + set colIntersect; + insert_iterator > colIntersectIter (colIntersect, colIntersect.begin()); + set_intersection (testCols.begin(), testCols.end(), refCols.begin(), refCols.end(), colIntersectIter); + TP = (int) colIntersect.size(); + TPFN = (int) refCols.size(); + if (testAlign) TPFP = (int) testCols.size(); + } + else { + refPairs = ComputePairs (refAlign, true); + if (testAlign) testPairs = ComputePairs (testAlign, false); + set pairIntersect; + + insert_iterator > pairIntersectIter (pairIntersect, pairIntersect.begin()); + set_intersection (testPairs.begin(), testPairs.end(), refPairs.begin(), refPairs.end(), pairIntersectIter); + TP = (int) pairIntersect.size(); + TPFN = (int) refPairs.size(); + if (testAlign) TPFP = (int) testPairs.size(); + } + + FD = (double) TP / TPFN; + FM = (double) TP / TPFP; + + cout << GetName(string (argv[2])) << " " << TP << " " << TPFN << " " << TPFP << " " << FD << " " << FM << endl; + + if (makeAnnot){ + ofstream outfile (outFilename.c_str()); + for (int i = 0; i < (int) annotation.size(); i++){ + outfile << annotation[i] << endl; + } + outfile.close(); + } + + if (testAlign) delete testAlign; + delete refAlign; +} + +int GetOffset (Sequence *testSeq, Sequence *refSeq){ + string test = testSeq->GetString(); + string ref = refSeq->GetString(); + + for (int i = 0; i < (int) test.length(); i++) test[i] = toupper(test[i]); + for (int i = 0; i < (int) ref.length(); i++) ref[i] = toupper(ref[i]); + + size_t offset = test.find (ref, 0); + if (offset == string::npos){ + cerr << "ERROR: Reference string not found in original sequence!" << endl; + cerr << " test = " << test << endl; + cerr << " ref = " << ref << endl; + exit (1); + } + + cerr << "Offset found: " << offset << endl; + + return (int) offset; +} + +string GetName (string s){ + + size_t index1 = s.rfind ('/'); + size_t index2 = s.rfind ('.'); + + if (index1 == string::npos) index1 = 0; else index1++; + if (index2 == string::npos) index2 = s.length(); + + if (index2 < index1) index2 = s.length(); + + return s.substr (index1, index2 - index1); +} + +bool isCore (char ch, int col){ + if (ch == '-') return false; + if (useBaliAnnot){ + return coreCols.find (col) != coreCols.end(); + } + if (useCaps){ + return ch >= 'A' && ch <= 'Z'; + } + return ch == CORE_BLOCK; +} + +///////////////////////////////////////////////////////////////// +// ComputePairs +// +// Returns the set of all matching pairs. +///////////////////////////////////////////////////////////////// + +set ComputePairs (MultiSequence *align, bool isRef){ + int N = align->GetNumSequences(); + int L = align->GetSequence(0)->GetLength(); + + // retrieve all sequence data pointers + SafeVector::iterator> seqs (N); + for (int i = 0; i < N; i++){ + seqs[i] = align->GetSequence(i)->GetDataPtr(); + assert (align->GetSequence(i)->GetLength() == L); + } + + set ret; + VI ctr(N); + + // compute pairs + for (int i = 1; i <= L; i++){ + + // ctr keeps track of the current position in each sequence + for (int j = 0; j < N; j++){ + ctr[j] += (seqs[j][i] != '-'); + } + + int good = 0; + int ct = 0; + + // check for all matching pairs + for (int j = 0; j < N - 1; j++){ + for (int k = j + 1; k < N; k++){ + + // skip if one of the sequences is gapped + if (seqs[j][i] == '-' || seqs[k][i] == '-') continue; + + // check for core blocks in the reference sequence + if (isRef && useCoreBlocks) + if (!isCore (seqs[j][i], i) || !isCore (seqs[k][i], i)) continue; + + // if all ok, then add pair to list of pairs + pair p (10000 * j + ctr[j], 10000 * k + ctr[k]); + + // if we're making an annotation, compute annotation statistics + if (makeAnnot && !isRef){ + ct++; + if (refPairs.find (p) != refPairs.end()) good++; + } + ret.insert (p); + } + } + + // build annotation + if (makeAnnot && !isRef){ + annotation.push_back ((ct == 0) ? 0 : 100 * good / ct); + } + + } + + return ret; +} + +///////////////////////////////////////////////////////////////// +// ComputeColumns +// +// Returns the set of all columns. +///////////////////////////////////////////////////////////////// + +set ComputeColumns (MultiSequence *align, bool isRef){ + int N = align->GetNumSequences(); + int L = align->GetSequence(0)->GetLength(); + + // retrieve all sequence data pointers + SafeVector::iterator> seqs (N); + for (int i = 0; i < N; i++){ + seqs[i] = align->GetSequence(i)->GetDataPtr(); + } + + set ret; + VI ctr(N); + + // compute pairs + for (int i = 1; i <= L; i++){ + + // ctr keeps track of the current position in each sequence + for (int j = 0; j < N; j++){ + ctr[j] += (seqs[j][i] != '-'); + } + + // add column, pick only positions that are matched + SafeVector column (N); + bool useThisColumn = !useCoreBlocks; + + for (int j = 0; j < N; j++){ + if (isCore (seqs[j][i], i)) useThisColumn = true; + column[j] = (seqs[j][i] == '-') ? -1 : ctr[j]; + } + + if (useThisColumn || !isRef) + ret.insert (column); + } + + return ret; +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Defaults.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Defaults.h new file mode 100644 index 0000000..e8ad944 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Defaults.h @@ -0,0 +1,86 @@ +///////////////////////////////////////////////////////////////// +// Defaults.h +// +// Default constants for use in PROBCONS. The emission +// probabilities were computed using the program used to build +// the BLOSUM62 matrix from the BLOCKS 5.0 dataset. Transition +// parameters were obtained via unsupervised EM training on the +// BALIBASE 2.0 benchmark alignment database. +///////////////////////////////////////////////////////////////// + +#ifndef DEFAULTS_H +#define DEFAULTS_H + +#include + +using namespace std; +/* Default */ +namespace MXSCARNA { +/* +float initDistrib1Default[] = { 0.9588437676f, 0.0205782652f, 0.0205782652f }; +float gapOpen1Default[] = { 0.0190259293f, 0.0190259293f }; +float gapExtend1Default[] = { 0.3269913495f, 0.3269913495f }; +*/ + +/* EMtrainingALL.txt*/ +float initDistrib1Default[] = { 0.9234497547, 0.0385021642, 0.0385021642 }; +float gapOpen1Default[] = { 0.0266662259, 0.0266662259 }; +float gapExtend1Default[] = { 0.3849118352, 0.3849118352 }; + + +float initDistrib2Default[] = { 0.9615409374f, 0.0000004538f, 0.0000004538f, 0.0192291681f, 0.0192291681f }; +float gapOpen2Default[] = { 0.0082473317f, 0.0082473317f, 0.0107844425f, 0.0107844425f }; +float gapExtend2Default[] = { 0.3210460842f, 0.3210460842f, 0.3298229277f, 0.3298229277f }; + +string alphabetDefault = "ACGUTN"; + +//float emitSingleDefault[6] = { +// 0.2174750715, 0.2573366761, 0.3005372882, 0.2233072966, 0.2233072966, 0.0004049665 +//}; + +/* Default */ +/* +float emitSingleDefault[6] = { + 0.2270790040f, 0.2422080040f, 0.2839320004f, 0.2464679927f, 0.2464679927f, 0.0003124650f +}; +*/ + +/* EMtrainingALL.txt */ +float emitSingleDefault[6] = { + 0.2017124593, 0.2590311766, 0.2929603755, 0.2453189045, 0.2453189045, 0.0000873194 }; + +/* ACGUTN */ +/* Default */ +/* +float emitPairsDefault[6][6] = { + { 0.1487240046f, 0.0184142999f, 0.0361397006f, 0.0238473993f, 0.0238473993f, 0.0000375308f }, + { 0.0184142999f, 0.1583919972f, 0.0275536999f, 0.0389291011f, 0.0389291011f, 0.0000815823f }, + { 0.0361397006f, 0.0275536999f, 0.1979320049f, 0.0244289003f, 0.0244289003f, 0.0000824765f }, + { 0.0238473993f, 0.0389291011f, 0.0244289003f, 0.1557479948f, 0.1557479948f, 0.0000743985f }, + { 0.0238473993f, 0.0389291011f, 0.0244289003f, 0.1557479948f, 0.1557479948f, 0.0000743985f }, + { 0.0000375308f, 0.0000815823f, 0.0000824765f, 0.0000743985f, 0.0000743985f, 0.0000263252f } +}; +*/ +/* EMtrainingALL.txt */ +float emitPairsDefault[6][6] = { + { 0.1659344733, 0.0298952684, 0.0543937907, 0.0344539173, 0.0344539173, 0.0000032761 }, + { 0.0298952684, 0.1817403436, 0.0415624641, 0.0589077808, 0.0589077808, 0.0000117011 }, + { 0.0543937907, 0.0415624641, 0.2342105955, 0.0410407558, 0.0410407558, 0.0000072893 }, + { 0.0344539173, 0.0589077808, 0.0410407558, 0.1578272283, 0.1578272283, 0.0000067871 }, + { 0.0344539173, 0.0589077808, 0.0410407558, 0.1578272283, 0.1578272283, 0.0000067871 }, + { 0.0344539173, 0.0589077808, 0.0410407558, 0.1578272283, 0.1578272283, 0.0000067871 }, +// { 0.0000032761, 0.0000117011, 0.0000072893, 0.0000067871, 0.0000067871, 0.0000000166 } +}; + + /* +float emitPairsDefault[6][6] = { + {0.1731323451, 0.0378843173, 0.0656677559, 0.0450690985, 0.0450690985, 0.0000215275}, + {0.0378843173, 0.1611578614, 0.0492933467, 0.0651549697, 0.0651549697, 0.0000362353}, + {0.0656677559, 0.0492933467, 0.1937607974, 0.0464556068, 0.0464556068, 0.0000293904}, + {0.0450690985, 0.0651549697, 0.0464556068, 0.1622997671, 0.1622997671, 0.0000352637}, + {0.0450690985, 0.0651549697, 0.0464556068, 0.1622997671, 0.1622997671, 0.0000352637}, + {0.0000215275, 0.0000362353, 0.0000293904, 0.0000352637, 0.0000352637, 0.0000000000} +}; + */ +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Defaults.h_backup b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Defaults.h_backup new file mode 100644 index 0000000..e09abb5 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Defaults.h_backup @@ -0,0 +1,57 @@ +///////////////////////////////////////////////////////////////// +// Defaults.h +// +// Default constants for use in PROBCONS. The emission +// probabilities were computed using the program used to build +// the BLOSUM62 matrix from the BLOCKS 5.0 dataset. Transition +// parameters were obtained via unsupervised EM training on the +// BALIBASE 2.0 benchmark alignment database. +///////////////////////////////////////////////////////////////// + +#ifndef DEFAULTS_H +#define DEFAULTS_H + +#include + +using namespace std; + +float initDistrib1Default[] = { 0.9588437676f, 0.0205782652f, 0.0205782652f }; +float gapOpen1Default[] = { 0.0190259293f, 0.0190259293f }; +float gapExtend1Default[] = { 0.3269913495f, 0.3269913495f }; + +float initDistrib2Default[] = { 0.9615409374f, 0.0000004538f, 0.0000004538f, 0.0192291681f, 0.0192291681f }; +float gapOpen2Default[] = { 0.0082473317f, 0.0082473317f, 0.0107844425f, 0.0107844425f }; +float gapExtend2Default[] = { 0.3210460842f, 0.3210460842f, 0.3298229277f, 0.3298229277f }; + +string alphabetDefault = "ACGUTN"; + +//float emitSingleDefault[6] = { +// 0.2174750715, 0.2573366761, 0.3005372882, 0.2233072966, 0.2233072966, 0.0004049665 +//}; + +float emitSingleDefault[6] = { + 0.2270790040f, 0.2422080040f, 0.2839320004f, 0.2464679927f, 0.2464679927f, 0.0003124650f +}; + +/* ACGUTN */ + +float emitPairsDefault[6][6] = { + { 0.1487240046f, 0.0184142999f, 0.0361397006f, 0.0238473993f, 0.0238473993f, 0.0000375308f }, + { 0.0184142999f, 0.1583919972f, 0.0275536999f, 0.0389291011f, 0.0389291011f, 0.0000815823f }, + { 0.0361397006f, 0.0275536999f, 0.1979320049f, 0.0244289003f, 0.0244289003f, 0.0000824765f }, + { 0.0238473993f, 0.0389291011f, 0.0244289003f, 0.1557479948f, 0.1557479948f, 0.0000743985f }, + { 0.0238473993f, 0.0389291011f, 0.0244289003f, 0.1557479948f, 0.1557479948f, 0.0000743985f }, + { 0.0000375308f, 0.0000815823f, 0.0000824765f, 0.0000743985f, 0.0000743985f, 0.0000263252f } +}; + + /* +float emitPairsDefault[6][6] = { + {0.1731323451, 0.0378843173, 0.0656677559, 0.0450690985, 0.0450690985, 0.0000215275}, + {0.0378843173, 0.1611578614, 0.0492933467, 0.0651549697, 0.0651549697, 0.0000362353}, + {0.0656677559, 0.0492933467, 0.1937607974, 0.0464556068, 0.0464556068, 0.0000293904}, + {0.0450690985, 0.0651549697, 0.0464556068, 0.1622997671, 0.1622997671, 0.0000352637}, + {0.0450690985, 0.0651549697, 0.0464556068, 0.1622997671, 0.1622997671, 0.0000352637}, + {0.0000215275, 0.0000362353, 0.0000293904, 0.0000352637, 0.0000352637, 0.0000000000} +}; + */ +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/EMtrainingALL.txt b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/EMtrainingALL.txt new file mode 100644 index 0000000..c2f24a0 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/EMtrainingALL.txt @@ -0,0 +1,11 @@ +0.9234497547 0.0385021642 0.0385021642 +0.0266662259 0.0266662259 +0.3849118352 0.3849118352 +ACGUTN +0.1659344733 +0.0298952684 0.1817403436 +0.0543937907 0.0415624641 0.2342105955 +0.0344539173 0.0589077808 0.0410407558 0.1578272283 +0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 +0.0000032761 0.0000117011 0.0000072893 0.0000067871 0.0000000000 0.0000000166 +0.2017124593 0.2590311766 0.2929603755 0.2453189045 0.0000000000 0.0000873194 diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/EvolutionaryTree.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/EvolutionaryTree.h new file mode 100644 index 0000000..eceeafe --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/EvolutionaryTree.h @@ -0,0 +1,200 @@ +///////////////////////////////////////////////////////////////// +// EvolutionaryTree.hpp +// +// Utilities for reading/writing multiple sequence data. +///////////////////////////////////////////////////////////////// + +#ifndef __EVOLUTIONARYTREE_HPP__ +#define __EVOLUTIONARYTREE_HPP__ + +#include +#include +#include +#include "SafeVector.h" +#include "MultiSequence.h" +#include "Sequence.h" +#include "Util.hpp" + +using namespace std; + + +///////////////////////////////////////////////////////////////// +// TreeNode +// +// The fundamental unit for representing an alignment tree. The +// guide tree is represented as a binary tree. +///////////////////////////////////////////////////////////////// +namespace MXSCARNA { +class TreeNode { + int sequenceLabel; // sequence label + float sequenceIdentity; // sequence identity + TreeNode *left, *right, *parent; // pointers to left, right children + float leftLength, rightLength; // the length of left and right edge + ///////////////////////////////////////////////////////////////// + // TreeNode::PrintNode() + // + // Internal routine used to print out the sequence comments + // associated with the evolutionary tree, using a hierarchical + // parenthesized format. + ///////////////////////////////////////////////////////////////// + + void PrintNode (ostream &outfile, const MultiSequence *sequences) const { + + // if this is a leaf node, print out the associated sequence comment + if (sequenceLabel >= 0) + //outfile << sequences->GetSequence (sequenceLabel)->GetHeader(); + outfile << sequences->GetSequence (sequenceLabel)->GetLabel(); + + // otherwise, it must have two children; print out their subtrees recursively + else { + assert (left); + assert (right); + + outfile << "("; + left->PrintNode (outfile, sequences); + outfile << ","; + right->PrintNode (outfile, sequences); + outfile << ")"; + } + } + + public: + + ///////////////////////////////////////////////////////////////// + // TreeNode::TreeNode() + // + // Constructor for a tree node. Note that sequenceLabel = -1 + // implies that the current node is not a leaf in the tree. + ///////////////////////////////////////////////////////////////// + + TreeNode (int sequenceLabel) : sequenceLabel (sequenceLabel), + left (NULL), right (NULL), parent (NULL) { + assert (sequenceLabel >= -1); + } + + ///////////////////////////////////////////////////////////////// + // TreeNode::~TreeNode() + // + // Destructor for a tree node. Recursively deletes all children. + ///////////////////////////////////////////////////////////////// + + ~TreeNode (){ + if (left){ delete left; left = NULL; } + if (right){ delete right; right = NULL; } + parent = NULL; + } + + + // getters + int GetSequenceLabel () const { return sequenceLabel; } + TreeNode *GetLeftChild () const { return left; } + TreeNode *GetRightChild () const { return right; } + TreeNode *GetParent () const { return parent; } + float GetIdentity () const { return sequenceIdentity; } + float GetLeftLength () const { return leftLength; } + float GetRightLength () const { return rightLength; } + // setters + void SetSequenceLabel (int sequenceLabel){ this->sequenceLabel = sequenceLabel; assert (sequenceLabel >= -1); } + void SetLeftChild (TreeNode *left){ this->left = left; } + void SetRightChild (TreeNode *right){ this->right = right; } + void SetParent (TreeNode *parent){ this->parent = parent; } + void SetIdentity (float identity) { this->sequenceIdentity = identity; } + void SetLeftLength (float identity) { this->leftLength = identity; } + void SetRightLength (float identity) {this->rightLength = identity; } + ///////////////////////////////////////////////////////////////// + // TreeNode::ComputeTree() + // + // Routine used to compute an evolutionary tree based on the + // given distance matrix. We assume the distance matrix has the + // form, distMatrix[i][j] = expected accuracy of aligning i with j. + ///////////////////////////////////////////////////////////////// + + static TreeNode *ComputeTree (const VVF &distMatrix, const VVF &identityMatrix){ + + int numSeqs = distMatrix.size(); // number of sequences in distance matrix + VVF distances (numSeqs, VF (numSeqs)); // a copy of the distance matrix + SafeVector nodes (numSeqs, NULL); // list of nodes for each sequence + SafeVector valid (numSeqs, 1); // valid[i] tells whether or not the ith + // nodes in the distances and nodes array + // are valid + VVF identities (numSeqs, VF (numSeqs)); + SafeVector countCluster (numSeqs, 1); + + // initialization: make a copy of the distance matrix + for (int i = 0; i < numSeqs; i++) { + for (int j = 0; j < numSeqs; j++) { + distances[i][j] = distMatrix[i][j]; + identities[i][j] = identityMatrix[i][j]; + } + } + + // initialization: create all the leaf nodes + for (int i = 0; i < numSeqs; i++){ + nodes[i] = new TreeNode (i); + assert (nodes[i]); + } + + // repeat until only a single node left + for (int numNodesLeft = numSeqs; numNodesLeft > 1; numNodesLeft--){ + float bestProb = -1; + pair bestPair; + + // find the closest pair + for (int i = 0; i < numSeqs; i++) if (valid[i]){ + for (int j = i+1; j < numSeqs; j++) if (valid[j]){ + if (distances[i][j] > bestProb){ + bestProb = distances[i][j]; + bestPair = make_pair(i, j); + } + } + } + + // merge the closest pair + TreeNode *newParent = new TreeNode (-1); + newParent->SetLeftChild (nodes[bestPair.first]); + newParent->SetRightChild (nodes[bestPair.second]); + nodes[bestPair.first]->SetParent (newParent); + nodes[bestPair.second]->SetParent (newParent); + nodes[bestPair.first] = newParent; + nodes[bestPair.second] = NULL; + newParent->SetIdentity(identities[bestPair.first][bestPair.second]); + + + // now update the distance matrix + for (int i = 0; i < numSeqs; i++) if (valid[i]){ + distances[bestPair.first][i] = distances[i][bestPair.first] + = (distances[i][bestPair.first]*countCluster[bestPair.first] + + distances[i][bestPair.second]*countCluster[bestPair.second]) + / (countCluster[bestPair.first] + countCluster[bestPair.second]); +// distances[bestPair.first][i] = distances[i][bestPair.first] +// = (distances[i][bestPair.first] + distances[i][bestPair.second]) * bestProb / 2; + identities[bestPair.first][i] = identities[i][bestPair.first] + = (identities[i][bestPair.first]*countCluster[bestPair.first] + + identities[i][bestPair.second]*countCluster[bestPair.second]) + / (countCluster[bestPair.first] + countCluster[bestPair.second]); + } + + // finally, mark the second node entry as no longer valid + countCluster[bestPair.first] += countCluster[bestPair.second]; + valid[bestPair.second] = 0; + } + + assert (nodes[0]); + return nodes[0]; + } + + ///////////////////////////////////////////////////////////////// + // TreeNode::Print() + // + // Print out the subtree associated with this node in a + // parenthesized representation. + ///////////////////////////////////////////////////////////////// + + void Print (ostream &outfile, const MultiSequence *sequences) const { +// outfile << "Alignment tree: "; + PrintNode (outfile, sequences); + outfile << endl; + } +}; +} +#endif //__EVOLUTIONARYTREE_HPP__ diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/FileBuffer.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/FileBuffer.h new file mode 100644 index 0000000..9c36188 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/FileBuffer.h @@ -0,0 +1,104 @@ +///////////////////////////////////////////////////////////////// +// FileBuffer.h +// +// Buffered file reading. +///////////////////////////////////////////////////////////////// + + +#ifndef FILEBUFFER_H +#define FILEBUFFER_H + +#include +#include +#include + +using namespace std; + +const int BufferSize = 1000; + +///////////////////////////////////////////////////////////////// +// FileBuffer +// +// Class for buffering file reading. +///////////////////////////////////////////////////////////////// +namespace MXSCARNA { +class FileBuffer { + ifstream file; + char buffer[BufferSize]; + int currPos; + int size; + bool isEOF; + bool isValid; + bool canUnget; + + public: + + // Some common routines + + FileBuffer (const char *filename) : file (filename), currPos (0), size (0), isEOF (false), isValid (!file.fail()), canUnget (false){} + ~FileBuffer (){ close(); } + bool fail () const { return !isValid; } + bool eof () const { return (!isValid || isEOF); } + void close(){ file.close(); isValid = false; } + + ///////////////////////////////////////////////////////////////// + // FileBuffer::Get() + // + // Retrieve a character from the file buffer. Returns true if + // and only if a character is read. + ///////////////////////////////////////////////////////////////// + + bool Get (char &ch){ + + // check to make sure that there's more stuff in the file + if (!isValid || isEOF) return false; + + // if the buffer is empty, it's time to reload it + if (currPos == size){ + file.read (buffer, BufferSize); + size = file.gcount(); + isEOF = (size == 0); + currPos = 0; + if (isEOF) return false; + } + + // store the read character + ch = buffer[currPos++]; + canUnget = true; + return true; + } + + ///////////////////////////////////////////////////////////////// + // FileBuffer::UnGet() + // + // Unretrieve the most recently read character from the file + // buffer. Note that this allows only a one-level undo. + ///////////////////////////////////////////////////////////////// + + void UnGet (){ + assert (canUnget); + assert (isValid); + assert (currPos > 0); + currPos--; + assert (currPos < size); + isEOF = false; + canUnget = false; + } + + ///////////////////////////////////////////////////////////////// + // FileBuffer::GetLine() + // + // Retrieve characters of text until a newline character is + // encountered. Terminates properly on end-of-file condition. + ///////////////////////////////////////////////////////////////// + + void GetLine (string &s){ + char ch; + s = ""; + while (Get (ch) && ch != '\n') + s += ch; + } + +}; +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/FixRef.cc b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/FixRef.cc new file mode 100644 index 0000000..7060c79 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/FixRef.cc @@ -0,0 +1,1000 @@ +///////////////////////////////////////////////////////////////// +// Main.cc +///////////////////////////////////////////////////////////////// + +#include "SafeVector.h" +#include "MultiSequence.h" +#include "Defaults.h" +#include "ScoreType.h" +#include "ProbabilisticModel.h" +#include "EvolutionaryTree.h" +#include "SparseMatrix.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +string matrixFilename = ""; +string parametersInputFilename = ""; +string parametersOutputFilename = "no training"; + +bool enableTraining = false; +bool enableVerbose = false; +int numConsistencyReps = 2; +int numPreTrainingReps = 0; +int numIterativeRefinementReps = 100; + +float gapOpenPenalty = 0; +float gapContinuePenalty = 0; +VF initDistrib (NumMatrixTypes); +VF gapOpen (2*NumInsertStates); +VF gapExtend (2*NumInsertStates); +SafeVector alphabet; +VVF emitPairs; +VF emitSingle; + +const int MIN_PRETRAINING_REPS = 0; +const int MAX_PRETRAINING_REPS = 20; +const int MIN_CONSISTENCY_REPS = 0; +const int MAX_CONSISTENCY_REPS = 5; +const int MIN_ITERATIVE_REFINEMENT_REPS = 0; +const int MAX_ITERATIVE_REFINEMENT_REPS = 1000; + +///////////////////////////////////////////////////////////////// +// Function prototypes +///////////////////////////////////////////////////////////////// + +void PrintHeading(); +void PrintParameters (const char *message, const VF &initDistrib, const VF &gapOpen, + const VF &gapExtend, const char *filename); +MultiSequence *DoAlign (MultiSequence *sequence, const ProbabilisticModel &model); +SafeVector ParseParams (int argc, char **argv); +void ReadParameters (); +MultiSequence *ComputeFinalAlignment (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model); +MultiSequence *AlignAlignments (MultiSequence *align1, MultiSequence *align2, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model); +void DoRelaxation (MultiSequence *sequences, SafeVector > &sparseMatrices); +void Relax (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior); +void DoIterativeRefinement (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment); +//float ScoreAlignment (MultiSequence *alignment, MultiSequence *sequences, SparseMatrix **sparseMatrices, const int numSeqs); + +///////////////////////////////////////////////////////////////// +// main() +// +// Calls all initialization routines and runs the PROBCONS +// aligner. +///////////////////////////////////////////////////////////////// + +int main (int argc, char **argv){ + + if (argc != 3){ + cerr << "Usage: FixRef inputfile reffile" << endl; + exit (1); + } + + string inputFilename = string (argv[1]); + string refFilename = string (argv[2]); + + ReadParameters(); + + // build new model for aligning + ProbabilisticModel model (initDistrib, gapOpen, gapExtend, + alphabet, emitPairs, emitSingle); + + MultiSequence *inputSeq = new MultiSequence(); inputSeq->LoadMFA (inputFilename); + MultiSequence *refSeq = new MultiSequence(); refSeq->LoadMFA (refFilename); + + SafeVector *ali = new SafeVector; + + if (refSeq->GetNumSequences() != 2){ + cerr << "ERROR: Expected two sequences in reference alignment." << endl; + exit (1); + } + set s; s.insert (0); + MultiSequence *ref1 = refSeq->Project (s); + s.clear(); s.insert (1); + MultiSequence *ref2 = refSeq->Project (s); + + for (int i = 0; i < inputSeq->GetNumSequences(); i++){ + if (inputSeq->GetSequence(i)->GetHeader() == ref1->GetSequence(0)->GetHeader()){ + ref1->AddSequence (inputSeq->GetSequence(i)->Clone()); + } + if (inputSeq->GetSequence(i)->GetHeader() == ref2->GetSequence(0)->GetHeader()) + ref2->AddSequence (inputSeq->GetSequence(i)->Clone()); + } + if (ref1->GetNumSequences() != 2){ + cerr << "ERROR: Expected two sequences in reference1 alignment." << endl; + exit (1); + } + if (ref2->GetNumSequences() != 2){ + cerr << "ERROR: Expected two sequences in reference2 alignment." << endl; + exit (1); + } + + ref1->GetSequence(0)->SetLabel(0); + ref2->GetSequence(0)->SetLabel(0); + ref1->GetSequence(1)->SetLabel(1); + ref2->GetSequence(1)->SetLabel(1); + + // cerr << "Aligning..." << endl; + + // now, we can perform the alignments and write them out + MultiSequence *alignment1 = DoAlign (ref1, + ProbabilisticModel (initDistrib, gapOpen, gapExtend, + alphabet, emitPairs, emitSingle)); + + //cerr << "Aligning second..." << endl; + MultiSequence *alignment2 = DoAlign (ref2, + ProbabilisticModel (initDistrib, gapOpen, gapExtend, + alphabet, emitPairs, emitSingle)); + + SafeVector::iterator iter1 = alignment1->GetSequence(0)->GetDataPtr(); + SafeVector::iterator iter2 = alignment1->GetSequence(1)->GetDataPtr(); + for (int i = 1; i <= alignment1->GetSequence(0)->GetLength(); i++){ + if (islower(iter1[i])) iter2[i] = tolower(iter2[i]); + if (isupper(iter1[i])) iter2[i] = toupper(iter2[i]); + } + iter1 = alignment2->GetSequence(0)->GetDataPtr(); + iter2 = alignment2->GetSequence(1)->GetDataPtr(); + for (int i = 1; i <= alignment2->GetSequence(0)->GetLength(); i++){ + if (islower(iter1[i])) iter2[i] = tolower(iter2[i]); + if (isupper(iter1[i])) iter2[i] = toupper(iter2[i]); + } + //alignment1->WriteMFA (cout); + //alignment2->WriteMFA (cout); + + int a1 = 0, a = 0; + int b1 = 0, b = 0; + + for (int i = 1; i <= refSeq->GetSequence(0)->GetLength(); i++){ + + // catch up in filler sequences + if (refSeq->GetSequence(0)->GetPosition(i) != '-'){ + while (true){ + a++; + if (alignment1->GetSequence(0)->GetPosition(a) != '-') break; + ali->push_back ('X'); + } + } + if (refSeq->GetSequence(1)->GetPosition(i) != '-'){ + while (true){ + b++; + if (alignment2->GetSequence(0)->GetPosition(b) != '-') break; + ali->push_back ('Y'); + } + } + + if (refSeq->GetSequence(0)->GetPosition(i) != '-' && + refSeq->GetSequence(1)->GetPosition(i) != '-'){ + //cerr << "M: " << refSeq->GetSequence(0)->GetPosition(i) << refSeq->GetSequence(1)->GetPosition(i) << endl; + ali->push_back ('B'); + } + else if (refSeq->GetSequence(0)->GetPosition(i) != '-'){ + //cerr << "X" << endl; + ali->push_back ('X'); + } + else if (refSeq->GetSequence(1)->GetPosition(i) != '-'){ + //cerr << "Y" << endl; + ali->push_back ('Y'); + } + } + + while (a < alignment1->GetSequence(0)->GetLength()){ + a++; + ali->push_back ('X'); + if (alignment1->GetSequence(0)->GetPosition(a) != '-') a1++; + } + while (b < alignment2->GetSequence(0)->GetLength()){ + b++; + ali->push_back ('Y'); + if (alignment2->GetSequence(0)->GetPosition(b) != '-') b1++; + } + + Sequence *seq1 = alignment1->GetSequence(1)->AddGaps (ali, 'X'); + Sequence *seq2 = alignment2->GetSequence(1)->AddGaps (ali, 'Y'); + seq1->WriteMFA (cout, 60); + seq2->WriteMFA (cout, 60); + + delete seq1; + delete seq2; + + delete ali; + delete alignment1; + delete alignment2; + delete inputSeq; + delete refSeq; +} + +///////////////////////////////////////////////////////////////// +// PrintHeading() +// +// Prints heading for PROBCONS program. +///////////////////////////////////////////////////////////////// + +void PrintHeading (){ + cerr << endl + << "PROBCONS version 1.02 - align multiple protein sequences and print to standard output" << endl + << "Copyright (C) 2004 Chuong Ba Do" << endl + << endl; +} + +///////////////////////////////////////////////////////////////// +// PrintParameters() +// +// Prints PROBCONS parameters to STDERR. If a filename is +// specified, then the parameters are also written to the file. +///////////////////////////////////////////////////////////////// + +void PrintParameters (const char *message, const VF &initDistrib, const VF &gapOpen, + const VF &gapExtend, const char *filename){ + + // print parameters to the screen + cerr << message << endl + << " initDistrib[] = { "; + for (int i = 0; i < NumMatrixTypes; i++) cerr << setprecision (10) << initDistrib[i] << " "; + cerr << "}" << endl + << " gapOpen[] = { "; + for (int i = 0; i < NumInsertStates*2; i++) cerr << setprecision (10) << gapOpen[i] << " "; + cerr << "}" << endl + << " gapExtend[] = { "; + for (int i = 0; i < NumInsertStates*2; i++) cerr << setprecision (10) << gapExtend[i] << " "; + cerr << "}" << endl + << endl; + + // if a file name is specified + if (filename){ + + // attempt to open the file for writing + FILE *file = fopen (filename, "w"); + if (!file){ + cerr << "ERROR: Unable to write parameter file: " << filename << endl; + exit (1); + } + + // if successful, then write the parameters to the file + for (int i = 0; i < NumMatrixTypes; i++) fprintf (file, "%.10f ", initDistrib[i]); fprintf (file, "\n"); + for (int i = 0; i < 2*NumInsertStates; i++) fprintf (file, "%.10f ", gapOpen[i]); fprintf (file, "\n"); + for (int i = 0; i < 2*NumInsertStates; i++) fprintf (file, "%.10f ", gapExtend[i]); fprintf (file, "\n"); + fclose (file); + } +} + +///////////////////////////////////////////////////////////////// +// DoAlign() +// +// First computes all pairwise posterior probability matrices. +// Then, computes new parameters if training, or a final +// alignment, otherwise. +///////////////////////////////////////////////////////////////// + +MultiSequence *DoAlign (MultiSequence *sequences, const ProbabilisticModel &model){ + + assert (sequences); + + const int numSeqs = sequences->GetNumSequences(); + VVF distances (numSeqs, VF (numSeqs, 0)); + SafeVector > sparseMatrices (numSeqs, SafeVector(numSeqs, NULL)); + + // do all pairwise alignments + for (int a = 0; a < numSeqs-1; a++){ + for (int b = a+1; b < numSeqs; b++){ + Sequence *seq1 = sequences->GetSequence (a); + Sequence *seq2 = sequences->GetSequence (b); + + // verbose output + if (enableVerbose) + cerr << "(" << a+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << b+1 << ") " << seq2->GetHeader() << ": "; + + // compute forward and backward probabilities + VF *forward = model.ComputeForwardMatrix (seq1, seq2); assert (forward); + VF *backward = model.ComputeBackwardMatrix (seq1, seq2); assert (backward); + + // if we are training, then we'll simply want to compute the + // expected counts for each region within the matrix separately; + // otherwise, we'll need to put all of the regions together and + // assemble a posterior probability match matrix + + // compute posterior probability matrix + VF *posterior = model.ComputePosteriorMatrix (seq1, seq2, *forward, *backward); assert (posterior); + + // compute "expected accuracy" distance for evolutionary tree computation + pair *, float> alignment = model.ComputeAlignment (seq1->GetLength(), + seq2->GetLength(), + *posterior); + + float distance = alignment.second / min (seq1->GetLength(), seq2->GetLength()); + + if (enableVerbose) + cerr << setprecision (10) << distance << endl; + + // save posterior probability matrices in sparse format + distances[a][b] = distances[b][a] = distance; + sparseMatrices[a][b] = new SparseMatrix (seq1->GetLength(), seq2->GetLength(), *posterior); + sparseMatrices[b][a] = sparseMatrices[a][b]->ComputeTranspose(); + + delete alignment.first; + delete posterior; + + delete forward; + delete backward; + } + } + + if (!enableTraining){ + if (enableVerbose) + cerr << endl; + + // now, perform the consistency transformation the desired number of times + for (int i = 0; i < numConsistencyReps; i++) + DoRelaxation (sequences, sparseMatrices); + + // compute the evolutionary tree + TreeNode *tree = TreeNode::ComputeTree (distances); + + //tree->Print (cerr, sequences); + //cerr << endl; + + // make the final alignment + MultiSequence *alignment = ComputeFinalAlignment (tree, sequences, sparseMatrices, model); + delete tree; + + return alignment; + } + + return NULL; +} + +///////////////////////////////////////////////////////////////// +// GetInteger() +// +// Attempts to parse an integer from the character string given. +// Returns true only if no parsing error occurs. +///////////////////////////////////////////////////////////////// + +bool GetInteger (char *data, int *val){ + char *endPtr; + long int retVal; + + assert (val); + + errno = 0; + retVal = strtol (data, &endPtr, 0); + if (retVal == 0 && (errno != 0 || data == endPtr)) return false; + if (errno != 0 && (retVal == LONG_MAX || retVal == LONG_MIN)) return false; + if (retVal < (long) INT_MIN || retVal > (long) INT_MAX) return false; + *val = (int) retVal; + return true; +} + +///////////////////////////////////////////////////////////////// +// GetFloat() +// +// Attempts to parse a float from the character string given. +// Returns true only if no parsing error occurs. +///////////////////////////////////////////////////////////////// + +bool GetFloat (char *data, float *val){ + char *endPtr; + double retVal; + + assert (val); + + errno = 0; + retVal = strtod (data, &endPtr); + if (retVal == 0 && (errno != 0 || data == endPtr)) return false; + if (errno != 0 && (retVal >= 1000000.0 || retVal <= -1000000.0)) return false; + *val = (float) retVal; + return true; +} + +///////////////////////////////////////////////////////////////// +// ParseParams() +// +// Parse all command-line options. +///////////////////////////////////////////////////////////////// + +SafeVector ParseParams (int argc, char **argv){ + + if (argc < 2){ + + cerr << "PROBCONS comes with ABSOLUTELY NO WARRANTY. This is free software, and" << endl + << "you are welcome to redistribute it under certain conditions. See the" << endl + << "file COPYING.txt for details." << endl + << endl + << "Usage:" << endl + << " probcons [OPTION]... [MFAFILE]..." << endl + << endl + << "Description:" << endl + << " Align sequences in MFAFILE(s) and print result to standard output" << endl + << endl + << " -t, --train FILENAME" << endl + << " compute EM transition probabilities, store in FILENAME (default: " + << parametersOutputFilename << ")" << endl + << endl + << " -m, --matrixfile FILENAME" << endl + << " read transition parameters from FILENAME (default: " + << matrixFilename << ")" << endl + << endl + << " -p, --paramfile FILENAME" << endl + << " read scoring matrix probabilities from FILENAME (default: " + << parametersInputFilename << ")" << endl + << endl + << " -c, --consistency REPS" << endl + << " use " << MIN_CONSISTENCY_REPS << " <= REPS <= " << MAX_CONSISTENCY_REPS + << " (default: " << numConsistencyReps << ") passes of consistency transformation" << endl + << endl + << " -ir, --iterative-refinement REPS" << endl + << " use " << MIN_ITERATIVE_REFINEMENT_REPS << " <= REPS <= " << MAX_ITERATIVE_REFINEMENT_REPS + << " (default: " << numIterativeRefinementReps << ") passes of iterative-refinement" << endl + << endl + << " -pre, --pre-training REPS" << endl + << " use " << MIN_PRETRAINING_REPS << " <= REPS <= " << MAX_PRETRAINING_REPS + << " (default: " << numPreTrainingReps << ") rounds of pretraining" << endl + << endl + << " -go, --gap-open VALUE" << endl + << " gap opening penalty of VALUE <= 0 (default: " << gapOpenPenalty << ")" << endl + << endl + << " -ge, --gap-extension VALUE" << endl + << " gap extension penalty of VALUE <= 0 (default: " << gapContinuePenalty << ")" << endl + << endl + << " -v, --verbose" << endl + << " report progress while aligning (default: " << (enableVerbose ? "on" : "off") << ")" << endl + << endl; + + exit (1); + } + + SafeVector sequenceNames; + int tempInt; + float tempFloat; + + for (int i = 1; i < argc; i++){ + if (argv[i][0] == '-'){ + + // training + if (!strcmp (argv[i], "-t") || !strcmp (argv[i], "--train")){ + enableTraining = true; + if (i < argc - 1) + parametersOutputFilename = string (argv[++i]); + else { + cerr << "ERROR: Filename expected for option " << argv[i] << endl; + exit (1); + } + } + + // scoring matrix file + else if (!strcmp (argv[i], "-m") || !strcmp (argv[i], "--matrixfile")){ + if (i < argc - 1) + matrixFilename = string (argv[++i]); + else { + cerr << "ERROR: Filename expected for option " << argv[i] << endl; + exit (1); + } + } + + // transition/initial distribution parameter file + else if (!strcmp (argv[i], "-p") || !strcmp (argv[i], "--paramfile")){ + if (i < argc - 1) + parametersInputFilename = string (argv[++i]); + else { + cerr << "ERROR: Filename expected for option " << argv[i] << endl; + exit (1); + } + } + + // number of consistency transformations + else if (!strcmp (argv[i], "-c") || !strcmp (argv[i], "--consistency")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_CONSISTENCY_REPS || tempInt > MAX_CONSISTENCY_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_CONSISTENCY_REPS << " and " << MAX_CONSISTENCY_REPS << "." << endl; + exit (1); + } + else + numConsistencyReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // number of randomized partitioning iterative refinement passes + else if (!strcmp (argv[i], "-ir") || !strcmp (argv[i], "--iterative-refinement")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_ITERATIVE_REFINEMENT_REPS || tempInt > MAX_ITERATIVE_REFINEMENT_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_ITERATIVE_REFINEMENT_REPS << " and " << MAX_ITERATIVE_REFINEMENT_REPS << "." << endl; + exit (1); + } + else + numIterativeRefinementReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // number of EM pre-training rounds + else if (!strcmp (argv[i], "-pre") || !strcmp (argv[i], "--pre-training")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_PRETRAINING_REPS || tempInt > MAX_PRETRAINING_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_PRETRAINING_REPS << " and " << MAX_PRETRAINING_REPS << "." << endl; + exit (1); + } + else + numPreTrainingReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // gap open penalty + else if (!strcmp (argv[i], "-go") || !strcmp (argv[i], "--gap-open")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat > 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be positive." << endl; + exit (1); + } + else + gapOpenPenalty = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // gap extension penalty + else if (!strcmp (argv[i], "-ge") || !strcmp (argv[i], "--gap-extension")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat > 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be positive." << endl; + exit (1); + } + else + gapContinuePenalty = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // verbose reporting + else if (!strcmp (argv[i], "-v") || !strcmp (argv[i], "--verbose")){ + enableVerbose = true; + } + + // bad arguments + else { + cerr << "ERROR: Unrecognized option: " << argv[i] << endl; + exit (1); + } + } + else { + sequenceNames.push_back (string (argv[i])); + } + } + + return sequenceNames; +} + +///////////////////////////////////////////////////////////////// +// ReadParameters() +// +// Read initial distribution, transition, and emission +// parameters from a file. +///////////////////////////////////////////////////////////////// + +void ReadParameters (){ + + ifstream data; + + // read initial state distribution and transition parameters + if (parametersInputFilename == string ("")){ + if (NumInsertStates == 1){ + for (int i = 0; i < NumMatrixTypes; i++) initDistrib[i] = initDistrib1Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapOpen[i] = gapOpen1Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapExtend[i] = gapExtend1Default[i]; + } + else if (NumInsertStates == 2){ + for (int i = 0; i < NumMatrixTypes; i++) initDistrib[i] = initDistrib2Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapOpen[i] = gapOpen2Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapExtend[i] = gapExtend2Default[i]; + } + else { + cerr << "ERROR: No default initial distribution/parameter settings exist" << endl + << " for " << NumInsertStates << " pairs of insert states. Use --paramfile." << endl; + exit (1); + } + } + else { + data.open (parametersInputFilename.c_str()); + if (data.fail()){ + cerr << "ERROR: Unable to read parameter file: " << parametersInputFilename << endl; + exit (1); + } + for (int i = 0; i < NumMatrixTypes; i++) data >> initDistrib[i]; + for (int i = 0; i < 2*NumInsertStates; i++) data >> gapOpen[i]; + for (int i = 0; i < 2*NumInsertStates; i++) data >> gapExtend[i]; + data.close(); + } + + // read emission parameters + int alphabetSize = 20; + + // allocate memory + alphabet = SafeVector(alphabetSize); + emitPairs = VVF (alphabetSize, VF (alphabetSize, 0)); + emitSingle = VF (alphabetSize); + + if (matrixFilename == string ("")){ + for (int i = 0; i < alphabetSize; i++) alphabet[i] = alphabetDefault[i]; + for (int i = 0; i < alphabetSize; i++){ + emitSingle[i] = emitSingleDefault[i]; + for (int j = 0; j <= i; j++){ + emitPairs[i][j] = emitPairs[j][i] = (i == j); + } + } + } + else { + data.open (matrixFilename.c_str()); + if (data.fail()){ + cerr << "ERROR: Unable to read scoring matrix file: " << matrixFilename << endl; + exit (1); + } + + for (int i = 0; i < alphabetSize; i++) data >> alphabet[i]; + for (int i = 0; i < alphabetSize; i++){ + for (int j = 0; j <= i; j++){ + data >> emitPairs[i][j]; + emitPairs[j][i] = emitPairs[i][j]; + } + } + for (int i = 0; i < alphabetSize; i++){ + char ch; + data >> ch; + assert (ch == alphabet[i]); + } + for (int i = 0; i < alphabetSize; i++) data >> emitSingle[i]; + data.close(); + } +} + +///////////////////////////////////////////////////////////////// +// ProcessTree() +// +// Process the tree recursively. Returns the aligned sequences +// corresponding to a node or leaf of the tree. +///////////////////////////////////////////////////////////////// + +MultiSequence *ProcessTree (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model){ + MultiSequence *result; + + // check if this is a node of the alignment tree + if (tree->GetSequenceLabel() == -1){ + MultiSequence *alignLeft = ProcessTree (tree->GetLeftChild(), sequences, sparseMatrices, model); + MultiSequence *alignRight = ProcessTree (tree->GetRightChild(), sequences, sparseMatrices, model); + + assert (alignLeft); + assert (alignRight); + + result = AlignAlignments (alignLeft, alignRight, sparseMatrices, model); + assert (result); + + delete alignLeft; + delete alignRight; + } + + // otherwise, this is a leaf of the alignment tree + else { + result = new MultiSequence(); assert (result); + result->AddSequence (sequences->GetSequence(tree->GetSequenceLabel())->Clone()); + } + + return result; +} + +///////////////////////////////////////////////////////////////// +// ComputeFinalAlignment() +// +// Compute the final alignment by calling ProcessTree(), then +// performing iterative refinement as needed. +///////////////////////////////////////////////////////////////// + +MultiSequence *ComputeFinalAlignment (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model){ + + MultiSequence *alignment = ProcessTree (tree, sequences, sparseMatrices, model); + + // iterative refinement + for (int i = 0; i < numIterativeRefinementReps; i++) + DoIterativeRefinement (sparseMatrices, model, alignment); + + cerr << endl; + + // return final alignment + return alignment; +} + +///////////////////////////////////////////////////////////////// +// AlignAlignments() +// +// Returns the alignment of two MultiSequence objects. +///////////////////////////////////////////////////////////////// + +MultiSequence *AlignAlignments (MultiSequence *align1, MultiSequence *align2, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model){ + + // print some info about the alignment + if (enableVerbose){ + for (int i = 0; i < align1->GetNumSequences(); i++) + cerr << ((i==0) ? "[" : ",") << align1->GetSequence(i)->GetLabel(); + cerr << "] vs. "; + for (int i = 0; i < align2->GetNumSequences(); i++) + cerr << ((i==0) ? "[" : ",") << align2->GetSequence(i)->GetLabel(); + cerr << "]: "; + } + + VF *posterior = model.BuildPosterior (align1, align2, sparseMatrices); + pair *, float> alignment; + + // choose the alignment routine depending on the "cosmetic" gap penalties used + if (gapOpenPenalty == 0 && gapContinuePenalty == 0) + alignment = model.ComputeAlignment (align1->GetSequence(0)->GetLength(), align2->GetSequence(0)->GetLength(), *posterior); + else + alignment = model.ComputeAlignmentWithGapPenalties (align1, align2, + *posterior, align1->GetNumSequences(), align2->GetNumSequences(), + gapOpenPenalty, gapContinuePenalty); + + delete posterior; + + if (enableVerbose){ + + // compute total length of sequences + int totLength = 0; + for (int i = 0; i < align1->GetNumSequences(); i++) + for (int j = 0; j < align2->GetNumSequences(); j++) + totLength += min (align1->GetSequence(i)->GetLength(), align2->GetSequence(j)->GetLength()); + + // give an "accuracy" measure for the alignment + cerr << alignment.second / totLength << endl; + } + + // now build final alignment + MultiSequence *result = new MultiSequence(); + for (int i = 0; i < align1->GetNumSequences(); i++) + result->AddSequence (align1->GetSequence(i)->AddGaps(alignment.first, 'X')); + for (int i = 0; i < align2->GetNumSequences(); i++) + result->AddSequence (align2->GetSequence(i)->AddGaps(alignment.first, 'Y')); + result->SortByLabel(); + + // free temporary alignment + delete alignment.first; + + return result; +} + +///////////////////////////////////////////////////////////////// +// DoRelaxation() +// +// Performs one round of the consistency transformation. The +// formula used is: +// 1 +// P'(x[i]-y[j]) = --- sum sum P(x[i]-z[k]) P(z[k]-y[j]) +// |S| z in S k +// +// where S = {x, y, all other sequences...} +// +///////////////////////////////////////////////////////////////// + +void DoRelaxation (MultiSequence *sequences, SafeVector > &sparseMatrices){ + const int numSeqs = sequences->GetNumSequences(); + + SafeVector > newSparseMatrices (numSeqs, SafeVector(numSeqs, NULL)); + + // for every pair of sequences + for (int i = 0; i < numSeqs; i++){ + for (int j = i+1; j < numSeqs; j++){ + Sequence *seq1 = sequences->GetSequence (i); + Sequence *seq2 = sequences->GetSequence (j); + + if (enableVerbose) + cerr << "Relaxing (" << i+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << j+1 << ") " << seq2->GetHeader() << ": "; + + // get the original posterior matrix + VF *posteriorPtr = sparseMatrices[i][j]->GetPosterior(); assert (posteriorPtr); + VF &posterior = *posteriorPtr; + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + + // contribution from the summation where z = x and z = y + for (int k = 0; k < (seq1Length+1) * (seq2Length+1); k++) posterior[k] += posterior[k]; + + if (enableVerbose) + cerr << sparseMatrices[i][j]->GetNumCells() << " --> "; + + // contribution from all other sequences + for (int k = 0; k < numSeqs; k++) if (k != i && k != j){ + Relax (sparseMatrices[i][k], sparseMatrices[k][j], posterior); + } + + // now renormalization + for (int k = 0; k < (seq1Length+1) * (seq2Length+1); k++) posterior[k] /= numSeqs; + + // save the new posterior matrix + newSparseMatrices[i][j] = new SparseMatrix (seq1->GetLength(), seq2->GetLength(), posterior); + newSparseMatrices[j][i] = newSparseMatrices[i][j]->ComputeTranspose(); + + if (enableVerbose) + cerr << newSparseMatrices[i][j]->GetNumCells() << " -- "; + + delete posteriorPtr; + + if (enableVerbose) + cerr << "done." << endl; + } + } + + // now replace the old posterior matrices + for (int i = 0; i < numSeqs; i++){ + for (int j = 0; j < numSeqs; j++){ + delete sparseMatrices[i][j]; + sparseMatrices[i][j] = newSparseMatrices[i][j]; + } + } +} + +///////////////////////////////////////////////////////////////// +// DoRelaxation() +// +// Computes the consistency transformation for a single sequence +// z, and adds the transformed matrix to "posterior". +///////////////////////////////////////////////////////////////// + +void Relax (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior){ + + assert (matXZ); + assert (matZY); + + int lengthX = matXZ->GetSeq1Length(); + int lengthY = matZY->GetSeq2Length(); + assert (matXZ->GetSeq2Length() == matZY->GetSeq1Length()); + + // for every x[i] + for (int i = 1; i <= lengthX; i++){ + SafeVector::iterator XZptr = matXZ->GetRowPtr(i); + SafeVector::iterator XZend = XZptr + matXZ->GetRowSize(i); + + VF::iterator base = posterior.begin() + i * (lengthY + 1); + + // iterate through all x[i]-z[k] + while (XZptr != XZend){ + SafeVector::iterator ZYptr = matZY->GetRowPtr(XZptr->first); + SafeVector::iterator ZYend = ZYptr + matZY->GetRowSize(XZptr->first); + const float XZval = XZptr->second; + + // iterate through all z[k]-y[j] + while (ZYptr != ZYend){ + base[ZYptr->first] += XZval * ZYptr->second;; + ZYptr++; + } + XZptr++; + } + } +} + +///////////////////////////////////////////////////////////////// +// DoIterativeRefinement() +// +// Performs a single round of randomized partionining iterative +// refinement. +///////////////////////////////////////////////////////////////// + +void DoIterativeRefinement (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment){ + set groupOne, groupTwo; + + // create two separate groups + for (int i = 0; i < alignment->GetNumSequences(); i++){ + if (random() % 2) + groupOne.insert (i); + else + groupTwo.insert (i); + } + + if (groupOne.empty() || groupTwo.empty()) return; + + // project into the two groups + MultiSequence *groupOneSeqs = alignment->Project (groupOne); assert (groupOneSeqs); + MultiSequence *groupTwoSeqs = alignment->Project (groupTwo); assert (groupTwoSeqs); + delete alignment; + + // realign + alignment = AlignAlignments (groupOneSeqs, groupTwoSeqs, sparseMatrices, model); +} + +/* +float ScoreAlignment (MultiSequence *alignment, MultiSequence *sequences, SparseMatrix **sparseMatrices, const int numSeqs){ + int totLength = 0; + float score = 0; + + for (int a = 0; a < alignment->GetNumSequences(); a++){ + for (int b = a+1; b < alignment->GetNumSequences(); b++){ + Sequence *seq1 = alignment->GetSequence(a); + Sequence *seq2 = alignment->GetSequence(b); + + const int seq1Length = sequences->GetSequence(seq1->GetLabel())->GetLength(); + const int seq2Length = sequences->GetSequence(seq2->GetLabel())->GetLength(); + + totLength += min (seq1Length, seq2Length); + + int pos1 = 0, pos2 = 0; + for (int i = 1; i <= seq1->GetLength(); i++){ + char ch1 = seq1->GetPosition(i); + char ch2 = seq2->GetPosition(i); + + if (ch1 != '-') pos1++; + if (ch2 != '-') pos2++; + if (ch1 != '-' && ch2 != '-'){ + score += sparseMatrices[a * numSeqs + b]->GetValue (pos1, pos2); + } + } + } + } + + return score / totLength; +} +*/ diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Main.cc b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Main.cc new file mode 100644 index 0000000..5392f40 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Main.cc @@ -0,0 +1,1870 @@ +///////////////////////////////////////////////////////////////// +// Main.cc +// +// Main routines for MXSCARNA program. +///////////////////////////////////////////////////////////////// + +#include "scarna.hpp" +#include "SafeVector.h" +#include "MultiSequence.h" +#include "Defaults.h" +#include "ScoreType.h" +#include "ProbabilisticModel.h" +#include "EvolutionaryTree.h" +#include "SparseMatrix.h" +#include "BPPMatrix.hpp" +#include "StemCandidate.hpp" +#include "Globaldp.hpp" +#include "nrutil.h" +#include "AlifoldMEA.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +#include "RfoldWrapper.hpp" +//static RFOLD::Rfold folder; + +using namespace::MXSCARNA; +using namespace::RFOLD; + +string parametersInputFilename = ""; +string parametersOutputFilename = "no training"; +string annotationFilename = ""; +string weboutputFileName = ""; + +ofstream *outputFile; + +bool enableTraining = false; +bool enableVerbose = false; +bool enableAllPairs = false; +bool enableAnnotation = false; +bool enableViterbi = false; +bool enableClustalWOutput = false; +bool enableTrainEmissions = false; +bool enableAlignOrder = false; +bool enableWebOutput = false; +bool enableStockholmOutput = false; +bool enableMXSCARNAOutput = false; +bool enableMcCaskillMEAMode = false; +int numConsistencyReps = 2; +int numPreTrainingReps = 0; +int numIterativeRefinementReps = 100; +int scsLength = SCSLENGTH; +float cutoff = 0; +float gapOpenPenalty = 0; +float gapContinuePenalty = 0; +float threshhold = 1.0; +float BaseProbThreshold = BASEPROBTHRESHOLD; +float BasePairConst = BASEPAIRCONST; +int BandWidth = BANDWIDTH; +bool useRfold = USERFOLD; +SafeVector sequenceNames; + +VF initDistrib (NumMatrixTypes); +VF gapOpen (2*NumInsertStates); +VF gapExtend (2*NumInsertStates); +VVF emitPairs (256, VF (256, 1e-10)); +VF emitSingle (256, 1e-5); + +string alphabet = alphabetDefault; + +string *ssCons = NULL; + +const int MIN_PRETRAINING_REPS = 0; +const int MAX_PRETRAINING_REPS = 20; +const int MIN_CONSISTENCY_REPS = 0; +const int MAX_CONSISTENCY_REPS = 5; +const int MIN_ITERATIVE_REFINEMENT_REPS = 0; +const int MAX_ITERATIVE_REFINEMENT_REPS = 1000; + +///////////////////////////////////////////////////////////////// +// Function prototypes +///////////////////////////////////////////////////////////////// + +void PrintHeading(); +void PrintParameters (const char *message, const VF &initDistrib, const VF &gapOpen, + const VF &gapExtend, const VVF &emitPairs, const VF &emitSingle, const char *filename); +MultiSequence *DoAlign (MultiSequence *sequence, const ProbabilisticModel &model, VF &initDistrib, VF &gapOpen, VF &gapExtend, VVF &emitPairs, VF &emitSingle); +SafeVector ParseParams (int argc, char **argv); +void ReadParameters (); +MultiSequence *ComputeFinalAlignment (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, + SafeVector &BPPMatrices); +MultiSequence *AlignAlignments (MultiSequence *align1, MultiSequence *align2, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, SafeVector &BPPMatrices, float identity); +SafeVector > DoRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices); +void Relax (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior); +void Relax1 (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior); +void DoBasePairProbabilityRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices, + SafeVector &BPPMatrices); +set GetSubtree (const TreeNode *tree); +void TreeBasedBiPartitioning (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment, + const TreeNode *tree, SafeVector &BPPMatrices); +void DoIterativeRefinement (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment); +void WriteAnnotation (MultiSequence *alignment, + const SafeVector > &sparseMatrices); +int ComputeScore (const SafeVector > &active, + const SafeVector > &sparseMatrices); +std::vector* seq2scs(MultiSequence *Sequences, SafeVector &BPPMatrices, int BandWidth); +void removeConflicts(std::vector *pscs1, std::vector *pscs2, std::vector *matchPSCS1, std::vector *matchPSCS2); + +struct prob { + int i; + int j; + float p; +}; + +///////////////////////////////////////////////////////////////// +// main() +// +// Calls all initialization routines and runs the MXSCARNA +// aligner. +///////////////////////////////////////////////////////////////// + + +int main (int argc, char **argv){ + + // print MXSCARNA heading + PrintHeading(); + + // parse program parameters + sequenceNames = ParseParams (argc, argv); + ReadParameters(); + PrintParameters ("Using parameter set:", initDistrib, gapOpen, gapExtend, emitPairs, emitSingle, NULL); + + // now, we'll process all the files given as input. If we are given + // several filenames as input, then we'll load all of those sequences + // simultaneously, as long as we're not training. On the other hand, + // if we are training, then we'll treat each file as a separate + // training instance + + if (enableMcCaskillMEAMode) { + MultiSequence *sequences = new MultiSequence(); assert (sequences); + for (int i = 0; i < (int) sequenceNames.size(); i++){ + cerr << "Loading sequence file: " << sequenceNames[i] << endl; + sequences->LoadMFA (sequenceNames[i], true); + } + + const int numSeqs = sequences->GetNumSequences(); + SafeVector BPPMatrices; + + // compute the base pairing matrices for each sequences + for(int i = 0; i < numSeqs; i++) { + Sequence *tmpSeq = sequences->GetSequence(i); + string seq = tmpSeq->GetString(); + int n_seq = tmpSeq->GetLength(); + BPPMatrix *bppmat = new BPPMatrix(seq, n_seq); + BPPMatrices.push_back(bppmat); + } + AlifoldMEA alifold(sequences, BPPMatrices, BasePairConst); + alifold.Run(); + ssCons = alifold.getSScons(); + + if (enableStockholmOutput) { + sequences->WriteSTOCKHOLM (cout, ssCons); + } + else if (enableMXSCARNAOutput){ + sequences->WriteMXSCARNA (cout, ssCons); + } + else { + sequences->WriteMFA (cout, ssCons); + } + + delete sequences; + } + // if we are training + else if (enableTraining){ + + // build new model for aligning + ProbabilisticModel model (initDistrib, gapOpen, gapExtend, emitPairs, emitSingle); + + // prepare to average parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] = 0; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] = 0; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] = 0; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] = 0; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] = 0; + } + + // align each file individually + for (int i = 0; i < (int) sequenceNames.size(); i++){ + + VF thisInitDistrib (NumMatrixTypes); + VF thisGapOpen (2*NumInsertStates); + VF thisGapExtend (2*NumInsertStates); + VVF thisEmitPairs (256, VF (256, 1e-10)); + VF thisEmitSingle (256, 1e-5); + + // load sequence file + MultiSequence *sequences = new MultiSequence(); assert (sequences); + cerr << "Loading sequence file: " << sequenceNames[i] << endl; + sequences->LoadMFA (sequenceNames[i], true); + + // align sequences + DoAlign (sequences, model, thisInitDistrib, thisGapOpen, thisGapExtend, thisEmitPairs, thisEmitSingle); + + // add in contribution of the derived parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] += thisInitDistrib[i]; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] += thisGapOpen[i]; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] += thisGapExtend[i]; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] += thisEmitPairs[i][j]; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] += thisEmitSingle[i]; + } + + delete sequences; + } + + // compute new parameters and print them out + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] /= (int) sequenceNames.size(); + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] /= (int) sequenceNames.size(); + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] /= (int) sequenceNames.size(); + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] /= (int) sequenceNames.size(); + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] /= sequenceNames.size(); + } + + PrintParameters ("Trained parameter set:", + initDistrib, gapOpen, gapExtend, emitPairs, emitSingle, + parametersOutputFilename.c_str()); + } + // pass + // if we are not training, we must simply want to align some sequences + else { + // load all files together + MultiSequence *sequences = new MultiSequence(); assert (sequences); + for (int i = 0; i < (int) sequenceNames.size(); i++){ + cerr << "Loading sequence file: " << sequenceNames[i] << endl; + + sequences->LoadMFA (sequenceNames[i], true); + } + + // do all "pre-training" repetitions first + // NOT execute + for (int ct = 0; ct < numPreTrainingReps; ct++){ + enableTraining = true; + + // build new model for aligning + ProbabilisticModel model (initDistrib, gapOpen, gapExtend, + emitPairs, emitSingle); + + // do initial alignments + DoAlign (sequences, model, initDistrib, gapOpen, gapExtend, emitPairs, emitSingle); + + // print new parameters + PrintParameters ("Recomputed parameter set:", initDistrib, gapOpen, gapExtend, emitPairs, emitSingle, NULL); + + enableTraining = false; + } + + // now, we can perform the alignments and write them out + if (enableWebOutput) { + outputFile = new ofstream(weboutputFileName.c_str()); + if (!outputFile) { + cerr << "cannot open output file." << weboutputFileName << endl; + exit(1); + } + *outputFile << "" << endl; + *outputFile << "" << endl; + } + MultiSequence *alignment = DoAlign (sequences, + ProbabilisticModel (initDistrib, gapOpen, gapExtend, emitPairs, emitSingle), + initDistrib, gapOpen, gapExtend, emitPairs, emitSingle); + + + if (!enableAllPairs){ + if (enableClustalWOutput) { + alignment->WriteALN (cout); + } + else if (enableWebOutput) { + alignment->WriteWEB (*outputFile, ssCons); +// computeStructureWithAlifold (); + } + else if (enableStockholmOutput) { + alignment->WriteSTOCKHOLM (cout, ssCons); + } + else if (enableMXSCARNAOutput) { + alignment->WriteMXSCARNA (cout, ssCons); + } + else { + alignment->WriteMFA (cout, ssCons); + } + } + + if (enableWebOutput) { + *outputFile << "" << endl; + delete outputFile; + } + + delete ssCons; + delete alignment; + delete sequences; + + } +} + +///////////////////////////////////////////////////////////////// +// PrintHeading() +// +// Prints heading for PROBCONS program. +///////////////////////////////////////////////////////////////// + +void PrintHeading (){ + cerr << endl + << "Multiplex SCARNA"<< endl + << "version " << VERSION << " - align multiple RNA sequences and print to standard output" << endl + << "Written by Yasuo Tabei" << endl + << endl; +} + +///////////////////////////////////////////////////////////////// +// PrintParameters() +// +// Prints PROBCONS parameters to STDERR. If a filename is +// specified, then the parameters are also written to the file. +///////////////////////////////////////////////////////////////// + +void PrintParameters (const char *message, const VF &initDistrib, const VF &gapOpen, + const VF &gapExtend, const VVF &emitPairs, const VF &emitSingle, const char *filename){ + + // print parameters to the screen + cerr << message << endl + << " initDistrib[] = { "; + for (int i = 0; i < NumMatrixTypes; i++) cerr << setprecision (10) << initDistrib[i] << " "; + cerr << "}" << endl + << " gapOpen[] = { "; + for (int i = 0; i < NumInsertStates*2; i++) cerr << setprecision (10) << gapOpen[i] << " "; + cerr << "}" << endl + << " gapExtend[] = { "; + for (int i = 0; i < NumInsertStates*2; i++) cerr << setprecision (10) << gapExtend[i] << " "; + cerr << "}" << endl + << endl; + + /* + for (int i = 0; i < 5; i++){ + for (int j = 0; j <= i; j++){ + cerr << emitPairs[(unsigned char) alphabet[i]][(unsigned char) alphabet[j]] << " "; + } + cerr << endl; + }*/ + + // if a file name is specified + if (filename){ + + // attempt to open the file for writing + FILE *file = fopen (filename, "w"); + if (!file){ + cerr << "ERROR: Unable to write parameter file: " << filename << endl; + exit (1); + } + + // if successful, then write the parameters to the file + for (int i = 0; i < NumMatrixTypes; i++) fprintf (file, "%.10f ", initDistrib[i]); fprintf (file, "\n"); + for (int i = 0; i < 2*NumInsertStates; i++) fprintf (file, "%.10f ", gapOpen[i]); fprintf (file, "\n"); + for (int i = 0; i < 2*NumInsertStates; i++) fprintf (file, "%.10f ", gapExtend[i]); fprintf (file, "\n"); + fprintf (file, "%s\n", alphabet.c_str()); + for (int i = 0; i < (int) alphabet.size(); i++){ + for (int j = 0; j <= i; j++) + fprintf (file, "%.10f ", emitPairs[(unsigned char) alphabet[i]][(unsigned char) alphabet[j]]); + fprintf (file, "\n"); + } + for (int i = 0; i < (int) alphabet.size(); i++) + fprintf (file, "%.10f ", emitSingle[(unsigned char) alphabet[i]]); + fprintf (file, "\n"); + fclose (file); + } +} + +///////////////////////////////////////////////////////////////// +// DoAlign() +// +// First computes all pairwise posterior probability matrices. +// Then, computes new parameters if training, or a final +// alignment, otherwise. +///////////////////////////////////////////////////////////////// +MultiSequence *DoAlign (MultiSequence *sequences, const ProbabilisticModel &model, VF &initDistrib, VF &gapOpen, VF &gapExtend, VVF &emitPairs, VF &emitSingle){ + + assert (sequences); + + const int numSeqs = sequences->GetNumSequences(); + VVF distances (numSeqs, VF (numSeqs, 0)); + VVF identities (numSeqs, VF (numSeqs, 0)); + SafeVector > sparseMatrices (numSeqs, SafeVector(numSeqs, NULL)); + + SafeVector BPPMatrices; + + RfoldWrapper rfoldWrapper; + if (useRfold) { + BPPMatrices + = rfoldWrapper.getProb(sequenceNames, sequences, BASEPROBTHRESHOLD, BandWidth); + } + else { + for(int i = 0; i < numSeqs; i++) { + Sequence *tmpSeq = sequences->GetSequence(i); + string seq = tmpSeq->GetString(); + int n_seq = tmpSeq->GetLength(); + BPPMatrix *bppmat = new BPPMatrix(seq, n_seq, BASEPROBTHRESHOLD); + BPPMatrices.push_back(bppmat); + } + } + + if (enableTraining){ + // prepare to average parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] = 0; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] = 0; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] = 0; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] = 0; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] = 0; + } + } + + // skip posterior calculations if we just want to do Viterbi alignments + if (!enableViterbi){ + + // do all pairwise alignments for posterior probability matrices + for (int a = 0; a < numSeqs-1; a++){ + for (int b = a+1; b < numSeqs; b++){ + Sequence *seq1 = sequences->GetSequence (a); + Sequence *seq2 = sequences->GetSequence (b); + + // verbose output + if (enableVerbose) + cerr << "Computing posterior matrix: (" << a+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << b+1 << ") " << seq2->GetHeader() << " -- "; + + // compute forward and backward probabilities + VF *forward = model.ComputeForwardMatrix (seq1, seq2); assert (forward); + VF *backward = model.ComputeBackwardMatrix (seq1, seq2); assert (backward); + + // if we are training, then we'll simply want to compute the + // expected counts for each region within the matrix separately; + // otherwise, we'll need to put all of the regions together and + // assemble a posterior probability match matrix + + // so, if we're training + if (enableTraining){ + + // compute new parameters + VF thisInitDistrib (NumMatrixTypes); + VF thisGapOpen (2*NumInsertStates); + VF thisGapExtend (2*NumInsertStates); + VVF thisEmitPairs (256, VF (256, 1e-10)); + VF thisEmitSingle (256, 1e-5); + + model.ComputeNewParameters (seq1, seq2, *forward, *backward, thisInitDistrib, thisGapOpen, thisGapExtend, thisEmitPairs, thisEmitSingle, enableTrainEmissions); + + // add in contribution of the derived parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] += thisInitDistrib[i]; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] += thisGapOpen[i]; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] += thisGapExtend[i]; + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] += thisEmitPairs[i][j]; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] += thisEmitSingle[i]; + } + + // let us know that we're done. + if (enableVerbose) cerr << "done." << endl; + } + // pass + else { + + // compute posterior probability matrix + VF *posterior = model.ComputePosteriorMatrix (seq1, seq2, *forward, *backward); assert (posterior); + + // compute sparse representations + sparseMatrices[a][b] = new SparseMatrix (seq1->GetLength(), seq2->GetLength(), *posterior); + sparseMatrices[b][a] = NULL; + + if (!enableAllPairs){ + // perform the pairwise sequence alignment + pair *, float> alignment = model.ComputeAlignment (seq1->GetLength(), + seq2->GetLength(), + *posterior); + + Sequence *tmpSeq1 = seq1->AddGaps (alignment.first, 'X'); + Sequence *tmpSeq2 = seq2->AddGaps (alignment.first, 'Y'); + + // compute sequence identity for each pair of sequenceses + int length = tmpSeq1->GetLength(); + int matchCount = 0; + int misMatchCount = 0; + for (int k = 1; k <= length; k++) { + int ch1 = tmpSeq1->GetPosition(k); + int ch2 = tmpSeq2->GetPosition(k); + if (ch1 == ch2 && ch1 != '-' && ch2 != '-') { ++matchCount; } + else if (ch1 != ch2 && ch1 != '-' && ch2 != '-') { ++misMatchCount; } + } + + identities[a][b] = identities[b][a] = (float)matchCount/(float)(matchCount + misMatchCount); + + // compute "expected accuracy" distance for evolutionary tree computation + float distance = alignment.second / min (seq1->GetLength(), seq2->GetLength()); + distances[a][b] = distances[b][a] = distance; + + if (enableVerbose) + cerr << setprecision (10) << distance << endl; + + delete alignment.first; + } + else { + // let us know that we're done. + if (enableVerbose) cerr << "done." << endl; + } + + delete posterior; + } + + delete forward; + delete backward; + } + } + } + + // now average out parameters derived + if (enableTraining){ + // compute new parameters + for (int i = 0; i < (int) initDistrib.size(); i++) initDistrib[i] /= numSeqs * (numSeqs - 1) / 2; + for (int i = 0; i < (int) gapOpen.size(); i++) gapOpen[i] /= numSeqs * (numSeqs - 1) / 2; + for (int i = 0; i < (int) gapExtend.size(); i++) gapExtend[i] /= numSeqs * (numSeqs - 1) / 2; + + if (enableTrainEmissions){ + for (int i = 0; i < (int) emitPairs.size(); i++) + for (int j = 0; j < (int) emitPairs[i].size(); j++) emitPairs[i][j] /= numSeqs * (numSeqs - 1) / 2; + for (int i = 0; i < (int) emitSingle.size(); i++) emitSingle[i] /= numSeqs * (numSeqs - 1) / 2; + } + } + + // see if we still want to do some alignments + else { + // pass + if (!enableViterbi){ + + // perform the consistency transformation the desired number of times + for (int r = 0; r < numConsistencyReps; r++){ + SafeVector > newSparseMatrices = DoRelaxation (sequences, sparseMatrices); + + // now replace the old posterior matrices + for (int i = 0; i < numSeqs; i++){ + for (int j = 0; j < numSeqs; j++){ + delete sparseMatrices[i][j]; + sparseMatrices[i][j] = newSparseMatrices[i][j]; + } + } + } + if (numSeqs > 8) { + for (int r = 0; r < 1; r++) + DoBasePairProbabilityRelaxation(sequences, sparseMatrices, BPPMatrices); + } + } + + MultiSequence *finalAlignment = NULL; + + if (enableAllPairs){ + for (int a = 0; a < numSeqs-1; a++){ + for (int b = a+1; b < numSeqs; b++){ + Sequence *seq1 = sequences->GetSequence (a); + Sequence *seq2 = sequences->GetSequence (b); + + if (enableVerbose) + cerr << "Performing pairwise alignment: (" << a+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << b+1 << ") " << seq2->GetHeader() << " -- "; + + + // perform the pairwise sequence alignment + pair *, float> alignment; + if (enableViterbi) + alignment = model.ComputeViterbiAlignment (seq1, seq2); + else { + + // build posterior matrix + VF *posterior = sparseMatrices[a][b]->GetPosterior(); assert (posterior); + int length = (seq1->GetLength() + 1) * (seq2->GetLength() + 1); + for (int i = 0; i < length; i++) (*posterior)[i] -= cutoff; + + alignment = model.ComputeAlignment (seq1->GetLength(), seq2->GetLength(), *posterior); + delete posterior; + } + + // write pairwise alignments + string name = seq1->GetHeader() + "-" + seq2->GetHeader() + (enableClustalWOutput ? ".aln" : ".fasta"); + ofstream outfile (name.c_str()); + + MultiSequence *result = new MultiSequence(); + result->AddSequence (seq1->AddGaps(alignment.first, 'X')); + result->AddSequence (seq2->AddGaps(alignment.first, 'Y')); + if (enableClustalWOutput) + result->WriteALN (outfile); + else + result->WriteMFA (outfile); + + outfile.close(); + + delete alignment.first; + } + } + } + + // now if we still need to do a final multiple alignment + else { + + if (enableVerbose) + cerr << endl; + + // compute the evolutionary tree + TreeNode *tree = TreeNode::ComputeTree (distances, identities); + + if (enableWebOutput) { + *outputFile << "" << endl; + tree->Print (*outputFile, sequences); + *outputFile << "" << endl; + } + else { + tree->Print (cerr, sequences); + cerr << endl; + } + // make the final alignment + finalAlignment = ComputeFinalAlignment (tree, sequences, sparseMatrices, model, BPPMatrices); + + // build annotation + if (enableAnnotation){ + WriteAnnotation (finalAlignment, sparseMatrices); + } + + delete tree; + } + + if (!enableViterbi){ + // delete sparse matrices + for (int a = 0; a < numSeqs-1; a++){ + for (int b = a+1; b < numSeqs; b++){ + delete sparseMatrices[a][b]; + delete sparseMatrices[b][a]; + } + } + } + + AlifoldMEA alifold(finalAlignment, BPPMatrices, BasePairConst); + alifold.Run(); + ssCons = alifold.getSScons(); + + return finalAlignment; + + } + + return NULL; +} + +///////////////////////////////////////////////////////////////// +// GetInteger() +// +// Attempts to parse an integer from the character string given. +// Returns true only if no parsing error occurs. +///////////////////////////////////////////////////////////////// + +bool GetInteger (char *data, int *val){ + char *endPtr; + long int retVal; + + assert (val); + + errno = 0; + retVal = strtol (data, &endPtr, 0); + if (retVal == 0 && (errno != 0 || data == endPtr)) return false; + if (errno != 0 && (retVal == LONG_MAX || retVal == LONG_MIN)) return false; + if (retVal < (long) INT_MIN || retVal > (long) INT_MAX) return false; + *val = (int) retVal; + return true; +} + +///////////////////////////////////////////////////////////////// +// GetFloat() +// +// Attempts to parse a float from the character string given. +// Returns true only if no parsing error occurs. +///////////////////////////////////////////////////////////////// + +bool GetFloat (char *data, float *val){ + char *endPtr; + double retVal; + + assert (val); + + errno = 0; + retVal = strtod (data, &endPtr); + if (retVal == 0 && (errno != 0 || data == endPtr)) return false; + if (errno != 0 && (retVal >= 1000000.0 || retVal <= -1000000.0)) return false; + *val = (float) retVal; + return true; +} + +///////////////////////////////////////////////////////////////// +// ParseParams() +// +// Parse all command-line options. +///////////////////////////////////////////////////////////////// + +SafeVector ParseParams (int argc, char **argv){ + + if (argc < 2){ + + cerr << "MXSCARNA comes with ABSOLUTELY NO WARRANTY. This is free software, and" << endl + << "you are welcome to redistribute it under certain conditions. See the" << endl + << "file COPYING.txt for details." << endl + << endl + << "Usage:" << endl + << " mxscarna [OPTION]... [MFAFILE]..." << endl + << endl + << "Description:" << endl + << " Align sequences in MFAFILE(s) and print result to standard output" << endl + << endl + << " -clustalw" << endl + << " use CLUSTALW output format instead of MFA" << endl + << endl + << " -stockholm" << endl + << " use STOCKHOLM output format instead of MFA" << endl + << endl + << " -mxscarna" << endl + << " use MXSCARNA output format instead of MFA" << endl + << endl + << " -weboutput //" << endl + << " use web output format" << endl + << endl + << " -c, --consistency REPS" << endl + << " use " << MIN_CONSISTENCY_REPS << " <= REPS <= " << MAX_CONSISTENCY_REPS + << " (default: " << numConsistencyReps << ") passes of consistency transformation" << endl + << endl + << " -ir, --iterative-refinement REPS" << endl + << " use " << MIN_ITERATIVE_REFINEMENT_REPS << " <= REPS <= " << MAX_ITERATIVE_REFINEMENT_REPS + << " (default: " << numIterativeRefinementReps << ") passes of iterative-refinement" << endl + << endl + << " -pre, --pre-training REPS" << endl + << " use " << MIN_PRETRAINING_REPS << " <= REPS <= " << MAX_PRETRAINING_REPS + << " (default: " << numPreTrainingReps << ") rounds of pretraining" << endl + << endl + << " -pairs" << endl + << " generate all-pairs pairwise alignments" << endl + << endl + << " -viterbi" << endl + << " use Viterbi algorithm to generate all pairs (automatically enables -pairs)" << endl + << endl + << " -v, --verbose" << endl + << " report progress while aligning (default: " << (enableVerbose ? "on" : "off") << ")" << endl + << endl + << " -annot FILENAME" << endl + << " write annotation for multiple alignment to FILENAME" << endl + << endl + << " -t, --train FILENAME" << endl + << " compute EM transition probabilities, store in FILENAME (default: " + << parametersOutputFilename << ")" << endl + << endl + << " -e, --emissions" << endl + << " also reestimate emission probabilities (default: " + << (enableTrainEmissions ? "on" : "off") << ")" << endl + << endl + << " -p, --paramfile FILENAME" << endl + << " read parameters from FILENAME (default: " + << parametersInputFilename << ")" << endl + << endl + << " -a, --alignment-order" << endl + << " print sequences in alignment order rather than input order (default: " + << (enableAlignOrder ? "on" : "off") << ")" << endl + << endl + << " -s THRESHOLD" << endl + << " the threshold of SCS alignment" << endl + << endl + << " In default, for less than " << threshhold << ", the SCS aligment is applied. " << endl + << " -l SCSLENGTH" << endl + << " the length of stem candidates " << SCSLENGTH << endl + << endl + << " -b BASEPROBTRHESHHOLD" << endl + << " the threshold of base pairing probability " << BASEPROBTHRESHOLD << endl + << endl + << " -m, --mccaskillmea" << endl + << " McCaskill MEA MODE: input the clustalw format file and output the secondary structure predicted by McCaskill MEA" << endl + << endl + << " -g BASEPAIRSCORECONST" << endl + << " the control parameter of the prediction of base pairs, default:" << BasePairConst << endl + << endl + << " -w BANDWIDTH" << endl + << " the control parameter of the distance of stem candidates, default:" << BANDWIDTH << endl + << " -rfold" << endl + << " use Rfold instead of global McCaskill algorithm to calcurate base paring probality matrices, default: (" << (useRfold? "on" : "off") << ")" << endl + << endl; + + + // << " -go, --gap-open VALUE" << endl + // << " gap opening penalty of VALUE <= 0 (default: " << gapOpenPenalty << ")" << endl + // << endl + // << " -ge, --gap-extension VALUE" << endl + // << " gap extension penalty of VALUE <= 0 (default: " << gapContinuePenalty << ")" << endl + // << endl + // << " -co, --cutoff CUTOFF" << endl + // << " subtract 0 <= CUTOFF <= 1 (default: " << cutoff << ") from all posterior values before final alignment" << endl + // << endl + + exit (1); + } + + SafeVector sequenceNames; + int tempInt; + float tempFloat; + + for (int i = 1; i < argc; i++){ + if (argv[i][0] == '-'){ + + // training + if (!strcmp (argv[i], "-t") || !strcmp (argv[i], "--train")){ + enableTraining = true; + if (i < argc - 1) + parametersOutputFilename = string (argv[++i]); + else { + cerr << "ERROR: Filename expected for option " << argv[i] << endl; + exit (1); + } + } + + // emission training + else if (!strcmp (argv[i], "-e") || !strcmp (argv[i], "--emissions")){ + enableTrainEmissions = true; + } + + // parameter file + else if (!strcmp (argv[i], "-p") || !strcmp (argv[i], "--paramfile")){ + if (i < argc - 1) + parametersInputFilename = string (argv[++i]); + else { + cerr << "ERROR: Filename expected for option " << argv[i] << endl; + exit (1); + } + } + else if (! strcmp (argv[i], "-s")) { + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be nagative." << endl; + exit (1); + } + else + threshhold = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + else if (! strcmp (argv[i], "-l")) { + if (i < argc - 1) { + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt <= 0 || 6 <= tempInt) { + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << "1 and 6" << "." << endl; + exit (1); + } + else + scsLength = tempInt; + } + } + } + else if (! strcmp (argv[i], "-b")) { + if (i < argc - 1) { + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0 && 1 < tempFloat) { + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be nagative." << endl; + exit (1); + } + else + BaseProbThreshold = tempFloat; + } + } + } + else if (! strcmp (argv[i], "-g")) { + if (i < argc - 1) { + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0 && 1 < tempFloat) { + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be nagative." << endl; + exit (1); + } + else + BasePairConst = tempFloat; + } + } + } + + // number of consistency transformations + else if (!strcmp (argv[i], "-c") || !strcmp (argv[i], "--consistency")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_CONSISTENCY_REPS || tempInt > MAX_CONSISTENCY_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_CONSISTENCY_REPS << " and " << MAX_CONSISTENCY_REPS << "." << endl; + exit (1); + } + else + numConsistencyReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // number of randomized partitioning iterative refinement passes + else if (!strcmp (argv[i], "-ir") || !strcmp (argv[i], "--iterative-refinement")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_ITERATIVE_REFINEMENT_REPS || tempInt > MAX_ITERATIVE_REFINEMENT_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_ITERATIVE_REFINEMENT_REPS << " and " << MAX_ITERATIVE_REFINEMENT_REPS << "." << endl; + exit (1); + } + else + numIterativeRefinementReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + else if (!strcmp (argv[i], "-rfold")){ + useRfold = true; + } + // number of EM pre-training rounds + else if (!strcmp (argv[i], "-pre") || !strcmp (argv[i], "--pre-training")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempInt < MIN_PRETRAINING_REPS || tempInt > MAX_PRETRAINING_REPS){ + cerr << "ERROR: For option " << argv[i-1] << ", integer must be between " + << MIN_PRETRAINING_REPS << " and " << MAX_PRETRAINING_REPS << "." << endl; + exit (1); + } + else + numPreTrainingReps = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // the distance of stem candidate + else if (!strcmp (argv[i], "-w")){ + if (i < argc - 1){ + if (!GetInteger (argv[++i], &tempInt)){ + cerr << "ERROR: Invalid integer following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + BandWidth = tempInt; + } + } + else { + cerr << "ERROR: Integer expected for option " << argv[i] << endl; + exit (1); + } + } + + // gap open penalty + else if (!strcmp (argv[i], "-go") || !strcmp (argv[i], "--gap-open")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat > 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be positive." << endl; + exit (1); + } + else + gapOpenPenalty = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // gap extension penalty + else if (!strcmp (argv[i], "-ge") || !strcmp (argv[i], "--gap-extension")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat > 0){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must not be positive." << endl; + exit (1); + } + else + gapContinuePenalty = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // all-pairs pairwise alignments + else if (!strcmp (argv[i], "-pairs")){ + enableAllPairs = true; + } + + // all-pairs pairwise Viterbi alignments + else if (!strcmp (argv[i], "-viterbi")){ + enableAllPairs = true; + enableViterbi = true; + } + + // annotation files + else if (!strcmp (argv[i], "-annot")){ + enableAnnotation = true; + if (i < argc - 1) + annotationFilename = argv[++i]; + else { + cerr << "ERROR: FILENAME expected for option " << argv[i] << endl; + exit (1); + } + } + + // clustalw output format + else if (!strcmp (argv[i], "-clustalw")){ + enableClustalWOutput = true; + } + // mxscarna output format + else if (!strcmp (argv[i], "-mxscarna")) { + enableMXSCARNAOutput = true; + } + // stockholm output format + else if (!strcmp (argv[i], "-stockholm")) { + enableStockholmOutput = true; + } + // web output format + else if (!strcmp (argv[i], "-weboutput")) { + if (i < argc - 1) { + weboutputFileName = string(argv[++i]); + } + else { + cerr << "ERROR: Invalid following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + + enableWebOutput = true; + } + + // cutoff + else if (!strcmp (argv[i], "-co") || !strcmp (argv[i], "--cutoff")){ + if (i < argc - 1){ + if (!GetFloat (argv[++i], &tempFloat)){ + cerr << "ERROR: Invalid floating-point value following option " << argv[i-1] << ": " << argv[i] << endl; + exit (1); + } + else { + if (tempFloat < 0 || tempFloat > 1){ + cerr << "ERROR: For option " << argv[i-1] << ", floating-point value must be between 0 and 1." << endl; + exit (1); + } + else + cutoff = tempFloat; + } + } + else { + cerr << "ERROR: Floating-point value expected for option " << argv[i] << endl; + exit (1); + } + } + + // verbose reporting + else if (!strcmp (argv[i], "-v") || !strcmp (argv[i], "--verbose")){ + enableVerbose = true; + } + + // alignment order + else if (!strcmp (argv[i], "-a") || !strcmp (argv[i], "--alignment-order")){ + enableAlignOrder = true; + } + // McCaskill MEA MODE + else if (!strcmp (argv[i], "-m") || !strcmp (argv[i], "--mccaskillmea")){ + enableMcCaskillMEAMode = true; + } + // bad arguments + else { + cerr << "ERROR: Unrecognized option: " << argv[i] << endl; + exit (1); + } + } + else { + sequenceNames.push_back (string (argv[i])); + } + } + + if (enableTrainEmissions && !enableTraining){ + cerr << "ERROR: Training emissions (-e) requires training (-t)" << endl; + exit (1); + } + + return sequenceNames; +} + +///////////////////////////////////////////////////////////////// +// ReadParameters() +// +// Read initial distribution, transition, and emission +// parameters from a file. +///////////////////////////////////////////////////////////////// + +void ReadParameters (){ + + ifstream data; + + emitPairs = VVF (256, VF (256, 1e-10)); + emitSingle = VF (256, 1e-5); + + // read initial state distribution and transition parameters + // pass + if (parametersInputFilename == string ("")){ + if (NumInsertStates == 1){ + for (int i = 0; i < NumMatrixTypes; i++) initDistrib[i] = initDistrib1Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapOpen[i] = gapOpen1Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapExtend[i] = gapExtend1Default[i]; + } + else if (NumInsertStates == 2){ + for (int i = 0; i < NumMatrixTypes; i++) initDistrib[i] = initDistrib2Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapOpen[i] = gapOpen2Default[i]; + for (int i = 0; i < 2*NumInsertStates; i++) gapExtend[i] = gapExtend2Default[i]; + } + else { + cerr << "ERROR: No default initial distribution/parameter settings exist" << endl + << " for " << NumInsertStates << " pairs of insert states. Use --paramfile." << endl; + exit (1); + } + + alphabet = alphabetDefault; + + for (int i = 0; i < (int) alphabet.length(); i++){ + emitSingle[(unsigned char) tolower(alphabet[i])] = emitSingleDefault[i]; + emitSingle[(unsigned char) toupper(alphabet[i])] = emitSingleDefault[i]; + for (int j = 0; j <= i; j++){ + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) tolower(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) toupper(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) tolower(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) toupper(alphabet[j])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) tolower(alphabet[i])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) toupper(alphabet[i])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) tolower(alphabet[i])] = emitPairsDefault[i][j]; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) toupper(alphabet[i])] = emitPairsDefault[i][j]; + } + } + } + else { + data.open (parametersInputFilename.c_str()); + if (data.fail()){ + cerr << "ERROR: Unable to read parameter file: " << parametersInputFilename << endl; + exit (1); + } + + string line[3]; + for (int i = 0; i < 3; i++){ + if (!getline (data, line[i])){ + cerr << "ERROR: Unable to read transition parameters from parameter file: " << parametersInputFilename << endl; + exit (1); + } + } + istringstream data2; + data2.clear(); data2.str (line[0]); for (int i = 0; i < NumMatrixTypes; i++) data2 >> initDistrib[i]; + data2.clear(); data2.str (line[1]); for (int i = 0; i < 2*NumInsertStates; i++) data2 >> gapOpen[i]; + data2.clear(); data2.str (line[2]); for (int i = 0; i < 2*NumInsertStates; i++) data2 >> gapExtend[i]; + + if (!getline (data, line[0])){ + cerr << "ERROR: Unable to read alphabet from scoring matrix file: " << parametersInputFilename << endl; + exit (1); + } + + // read alphabet as concatenation of all characters on alphabet line + alphabet = ""; + string token; + data2.clear(); data2.str (line[0]); while (data2 >> token) alphabet += token; + + for (int i = 0; i < (int) alphabet.size(); i++){ + for (int j = 0; j <= i; j++){ + float val; + data >> val; + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) tolower(alphabet[j])] = val; + emitPairs[(unsigned char) tolower(alphabet[i])][(unsigned char) toupper(alphabet[j])] = val; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) tolower(alphabet[j])] = val; + emitPairs[(unsigned char) toupper(alphabet[i])][(unsigned char) toupper(alphabet[j])] = val; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) tolower(alphabet[i])] = val; + emitPairs[(unsigned char) tolower(alphabet[j])][(unsigned char) toupper(alphabet[i])] = val; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) tolower(alphabet[i])] = val; + emitPairs[(unsigned char) toupper(alphabet[j])][(unsigned char) toupper(alphabet[i])] = val; + } + } + + for (int i = 0; i < (int) alphabet.size(); i++){ + float val; + data >> val; + emitSingle[(unsigned char) tolower(alphabet[i])] = val; + emitSingle[(unsigned char) toupper(alphabet[i])] = val; + } + data.close(); + } +} + +///////////////////////////////////////////////////////////////// +// ProcessTree() +// +// Process the tree recursively. Returns the aligned sequences +// corresponding to a node or leaf of the tree. +///////////////////////////////////////////////////////////////// +float ide; +MultiSequence *ProcessTree (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, SafeVector &BPPMatrices) { + MultiSequence *result; + + // check if this is a node of the alignment tree + if (tree->GetSequenceLabel() == -1){ + MultiSequence *alignLeft = ProcessTree (tree->GetLeftChild(), sequences, sparseMatrices, model, BPPMatrices); + MultiSequence *alignRight = ProcessTree (tree->GetRightChild(), sequences, sparseMatrices, model, BPPMatrices); + + assert (alignLeft); + assert (alignRight); + + result = AlignAlignments (alignLeft, alignRight, sparseMatrices, model, BPPMatrices, tree->GetIdentity()); + assert (result); + + delete alignLeft; + delete alignRight; + } + + // otherwise, this is a leaf of the alignment tree + else { + result = new MultiSequence(); assert (result); + result->AddSequence (sequences->GetSequence(tree->GetSequenceLabel())->Clone()); + } + + return result; +} + +///////////////////////////////////////////////////////////////// +// ComputeFinalAlignment() +// +// Compute the final alignment by calling ProcessTree(), then +// performing iterative refinement as needed. +///////////////////////////////////////////////////////////////// + +MultiSequence *ComputeFinalAlignment (const TreeNode *tree, MultiSequence *sequences, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, + SafeVector &BPPMatrices) { + + MultiSequence *alignment = ProcessTree (tree, sequences, sparseMatrices, model, BPPMatrices); + + if (enableAlignOrder){ + alignment->SaveOrdering(); + enableAlignOrder = false; + } + + // tree-based refinement + // if you use the function, you can degrade the quality of the software. + // TreeBasedBiPartitioning (sparseMatrices, model, alignment, tree, BPPMatrices); + + // iterative refinement +/* + for (int i = 0; i < numIterativeRefinementReps; i++) + DoIterativeRefinement (sparseMatrices, model, alignment); + + cerr << endl; +*/ + // return final alignment + return alignment; +} + +///////////////////////////////////////////////////////////////// +// AlignAlignments() +// +// Returns the alignment of two MultiSequence objects. +///////////////////////////////////////////////////////////////// + +MultiSequence *AlignAlignments (MultiSequence *align1, MultiSequence *align2, + const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, + SafeVector &BPPMatrices, float identity){ + + // print some info about the alignment + if (enableVerbose){ + for (int i = 0; i < align1->GetNumSequences(); i++) + cerr << ((i==0) ? "[" : ",") << align1->GetSequence(i)->GetLabel(); + cerr << "] vs. "; + for (int i = 0; i < align2->GetNumSequences(); i++) + cerr << ((i==0) ? "[" : ",") << align2->GetSequence(i)->GetLabel(); + cerr << "]: "; + } + + VF *posterior = model.BuildPosterior (align1, align2, sparseMatrices, cutoff); + + pair *, float> alignment; + // choose the alignment routine depending on the "cosmetic" gap penalties used + if (gapOpenPenalty == 0 && gapContinuePenalty == 0) { + + if(identity < threshhold) { + std::vector *pscs1, *pscs2; + pscs1 = seq2scs(align1, BPPMatrices, BandWidth); + pscs2 = seq2scs(align2, BPPMatrices, BandWidth); + std::vector *matchPSCS1 = new std::vector; + std::vector *matchPSCS2 = new std::vector; + + Globaldp globaldp(pscs1, pscs2, align1, align2, matchPSCS1, matchPSCS2, posterior, BPPMatrices); + //float scsScore = globaldp.Run(); + + globaldp.Run(); + + removeConflicts(pscs1, pscs2, matchPSCS1, matchPSCS2); + + alignment = model.ComputeAlignment2 (align1->GetSequence(0)->GetLength(), align2->GetSequence(0)->GetLength(), *posterior, pscs1, pscs2, matchPSCS1, matchPSCS2); + + } else { + alignment = model.ComputeAlignment (align1->GetSequence(0)->GetLength(), align2->GetSequence(0)->GetLength(), *posterior); + } + } + else { + alignment = model.ComputeAlignmentWithGapPenalties (align1, align2, + *posterior, align1->GetNumSequences(), align2->GetNumSequences(), + gapOpenPenalty, gapContinuePenalty); + } + + delete posterior; + + if (enableVerbose){ + + // compute total length of sequences + int totLength = 0; + for (int i = 0; i < align1->GetNumSequences(); i++) + for (int j = 0; j < align2->GetNumSequences(); j++) + totLength += min (align1->GetSequence(i)->GetLength(), align2->GetSequence(j)->GetLength()); + + // give an "accuracy" measure for the alignment + cerr << alignment.second / totLength << endl; + } + + // now build final alignment + MultiSequence *result = new MultiSequence(); + for (int i = 0; i < align1->GetNumSequences(); i++) + result->AddSequence (align1->GetSequence(i)->AddGaps(alignment.first, 'X')); + for (int i = 0; i < align2->GetNumSequences(); i++) + result->AddSequence (align2->GetSequence(i)->AddGaps(alignment.first, 'Y')); + if (!enableAlignOrder) + result->SortByLabel(); + + // free temporary alignment + delete alignment.first; + + return result; +} + +///////////////////////////////////////////////////////////////// +// DoRelaxation() +// +// Performs one round of the consistency transformation. The +// formula used is: +// 1 +// P'(x[i]-y[j]) = --- sum sum P(x[i]-z[k]) P(z[k]-y[j]) +// |S| z in S k +// +// where S = {x, y, all other sequences...} +// +///////////////////////////////////////////////////////////////// + +SafeVector > DoRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices){ + const int numSeqs = sequences->GetNumSequences(); + + SafeVector > newSparseMatrices (numSeqs, SafeVector(numSeqs, NULL)); + + // for every pair of sequences + for (int i = 0; i < numSeqs; i++){ + for (int j = i+1; j < numSeqs; j++){ + Sequence *seq1 = sequences->GetSequence (i); + Sequence *seq2 = sequences->GetSequence (j); + + if (enableVerbose) + cerr << "Relaxing (" << i+1 << ") " << seq1->GetHeader() << " vs. " + << "(" << j+1 << ") " << seq2->GetHeader() << ": "; + + // get the original posterior matrix + VF *posteriorPtr = sparseMatrices[i][j]->GetPosterior(); assert (posteriorPtr); + VF &posterior = *posteriorPtr; + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + + // contribution from the summation where z = x and z = y + for (int k = 0; k < (seq1Length+1) * (seq2Length+1); k++) posterior[k] += posterior[k]; + + if (enableVerbose) + cerr << sparseMatrices[i][j]->GetNumCells() << " --> "; + + // contribution from all other sequences + for (int k = 0; k < numSeqs; k++) if (k != i && k != j){ + if (k < i) + Relax1 (sparseMatrices[k][i], sparseMatrices[k][j], posterior); + else if (k > i && k < j) + Relax (sparseMatrices[i][k], sparseMatrices[k][j], posterior); + else { + SparseMatrix *temp = sparseMatrices[j][k]->ComputeTranspose(); + Relax (sparseMatrices[i][k], temp, posterior); + delete temp; + } + } + + // now renormalization + for (int k = 0; k < (seq1Length+1) * (seq2Length+1); k++) posterior[k] /= numSeqs; + + // mask out positions not originally in the posterior matrix + SparseMatrix *matXY = sparseMatrices[i][j]; + for (int y = 0; y <= seq2Length; y++) posterior[y] = 0; + for (int x = 1; x <= seq1Length; x++){ + SafeVector::iterator XYptr = matXY->GetRowPtr(x); + SafeVector::iterator XYend = XYptr + matXY->GetRowSize(x); + VF::iterator base = posterior.begin() + x * (seq2Length + 1); + int curr = 0; + while (XYptr != XYend){ + + // zero out all cells until the first filled column + while (curr < XYptr->first){ + base[curr] = 0; + curr++; + } + + // now, skip over this column + curr++; + ++XYptr; + } + + // zero out cells after last column + while (curr <= seq2Length){ + base[curr] = 0; + curr++; + } + } + + // save the new posterior matrix + newSparseMatrices[i][j] = new SparseMatrix (seq1->GetLength(), seq2->GetLength(), posterior); + newSparseMatrices[j][i] = NULL; + + if (enableVerbose) + cerr << newSparseMatrices[i][j]->GetNumCells() << " -- "; + + delete posteriorPtr; + + if (enableVerbose) + cerr << "done." << endl; + } + } + + return newSparseMatrices; +} + +///////////////////////////////////////////////////////////////// +// Relax() +// +// Computes the consistency transformation for a single sequence +// z, and adds the transformed matrix to "posterior". +///////////////////////////////////////////////////////////////// + +void Relax (SparseMatrix *matXZ, SparseMatrix *matZY, VF &posterior){ + + assert (matXZ); + assert (matZY); + + int lengthX = matXZ->GetSeq1Length(); + int lengthY = matZY->GetSeq2Length(); + assert (matXZ->GetSeq2Length() == matZY->GetSeq1Length()); + + // for every x[i] + for (int i = 1; i <= lengthX; i++){ + SafeVector::iterator XZptr = matXZ->GetRowPtr(i); + SafeVector::iterator XZend = XZptr + matXZ->GetRowSize(i); + + VF::iterator base = posterior.begin() + i * (lengthY + 1); + + // iterate through all x[i]-z[k] + while (XZptr != XZend){ + SafeVector::iterator ZYptr = matZY->GetRowPtr(XZptr->first); + SafeVector::iterator ZYend = ZYptr + matZY->GetRowSize(XZptr->first); + const float XZval = XZptr->second; + + // iterate through all z[k]-y[j] + while (ZYptr != ZYend){ + base[ZYptr->first] += XZval * ZYptr->second; + ZYptr++; + } + XZptr++; + } + } +} + +///////////////////////////////////////////////////////////////// +// Relax1() +// +// Computes the consistency transformation for a single sequence +// z, and adds the transformed matrix to "posterior". +///////////////////////////////////////////////////////////////// + +void Relax1 (SparseMatrix *matZX, SparseMatrix *matZY, VF &posterior){ + + assert (matZX); + assert (matZY); + + int lengthZ = matZX->GetSeq1Length(); + int lengthY = matZY->GetSeq2Length(); + + // for every z[k] + for (int k = 1; k <= lengthZ; k++){ + SafeVector::iterator ZXptr = matZX->GetRowPtr(k); + SafeVector::iterator ZXend = ZXptr + matZX->GetRowSize(k); + + // iterate through all z[k]-x[i] + while (ZXptr != ZXend){ + SafeVector::iterator ZYptr = matZY->GetRowPtr(k); + SafeVector::iterator ZYend = ZYptr + matZY->GetRowSize(k); + const float ZXval = ZXptr->second; + VF::iterator base = posterior.begin() + ZXptr->first * (lengthY + 1); + + // iterate through all z[k]-y[j] + while (ZYptr != ZYend){ + base[ZYptr->first] += ZXval * ZYptr->second; + ZYptr++; + } + ZXptr++; + } + } +} + +void DoBasePairProbabilityRelaxation (MultiSequence *sequences, + SafeVector > &sparseMatrices, + SafeVector &BPPMatrices) { + const int numSeqs = sequences->GetNumSequences(); + + for (int i = 0; i < numSeqs; i++) { + Sequence *seq1 = sequences->GetSequence (i); + BPPMatrix *seq1BppMatrix = BPPMatrices[seq1->GetLabel()]; + Trimat consBppMat(seq1->GetLength() + 1); + int seq1Length = seq1->GetLength(); + + for (int k = 1; k <= seq1Length; k++) { + for (int l = k; l <= seq1Length; l++) { + consBppMat.ref(k, l) = seq1BppMatrix->GetProb(k, l); + } + } + + for (int j = i + 1; j < numSeqs; j++) { + + // VF *posteriorPtr = sparseMatrices[i][j]->GetPosterior() + Sequence *seq2 = sequences->GetSequence (j); + BPPMatrix *seq2BppMatrix = BPPMatrices[seq2->GetLabel()]; +// int seq2Length = seq2->GetLength(); + SparseMatrix *matchProb = sparseMatrices[i][j]; + +// vector &probs1 = seq1BppMatrix->bppMat.data2; + for(int k = 1; k <= seq1Length; k++) { + for(int m = k, n = k; n <= k + 200 && m >= 1 && n <= seq1Length; m--, n++) { + +// for (int k = 0; k < (int)probs1.size(); k++) { +// float tmpProb1 = probs1[k].prob; +// int tmp1I = probs1[k].i; +// int tmp1J = probs1[k].j; + + float sumProb = 0; + vector &probs2 = seq2BppMatrix->bppMat.data2; + for(int l = 0; l < (int)probs2.size(); l++) { + float tmpProb2 = probs2[l].prob; + int tmp2I = probs2[l].i; + int tmp2J = probs2[l].j; + sumProb += matchProb->GetValue(m, tmp2I)*matchProb->GetValue(n, tmp2J)*tmpProb2; + } + + consBppMat.ref(m, n) += sumProb; + } + + for(int m = k, n = k + 1; n <= k + 200 && m >= 1 && n <= seq1Length; m--, n++) { + +// for (int k = 0; k < (int)probs1.size(); k++) { +// float tmpProb1 = probs1[k].prob; +// int tmp1I = probs1[k].i; +// int tmp1J = probs1[k].j; + + float sumProb = 0; + vector &probs2 = seq2BppMatrix->bppMat.data2; + for(int l = 0; l < (int)probs2.size(); l++) { + float tmpProb2 = probs2[l].prob; + int tmp2I = probs2[l].i; + int tmp2J = probs2[l].j; + sumProb += matchProb->GetValue(m, tmp2I)*matchProb->GetValue(n, tmp2J)*tmpProb2; + } + + consBppMat.ref(m, n) += sumProb; + } + } + } + +/* + for(int k = 1; k <= seq1Length; k++) { + for(int m = k, n = k; n <= k + 30 && m >= 1 && n <= seq1Length; m--, n++) { + float tmpProb = seq1BppMatrix->GetProb(m, n); + for(int l = 1; l <= seq2Length; l++) { + for(int s = l, t = l; t <= l + 30 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + for(int s = l, t = l + 1; t <= l + 31 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + } + consBppMat.ref(m, n) += tmpProb; + } + + for(int m = k, n = k + 1; n <= k + 31 && m >= 1 && n <= seq1Length; m--, n++) { + float tmpProb = seq1BppMatrix->GetProb(m, n); + for(int l = 1; l <= seq2Length; l++) { + for(int s = l, t = l; t <= l + 30 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + for(int s = l, t = l + 1; t <= l + 31 && s >= 1 && t <= seq2Length; s--, t++) { + tmpProb += matchProb->GetValue(m,s)*matchProb->GetValue(n,t)*seq2BppMatrix->GetProb(s,t); + } + } + consBppMat.ref(m,n) += tmpProb; + } + } + } +*/ + for (int m = 1; m <= seq1Length; m++) { + for (int n = m + 4; n <= seq1Length; n++) { + consBppMat.ref(m,n) = consBppMat.ref(m,n)/(float)numSeqs; + } + } + seq1BppMatrix->updateBPPMatrix(consBppMat); + } +} + +///////////////////////////////////////////////////////////////// +// GetSubtree +// +// Returns set containing all leaf labels of the current subtree. +///////////////////////////////////////////////////////////////// + +set GetSubtree (const TreeNode *tree){ + set s; + + if (tree->GetSequenceLabel() == -1){ + s = GetSubtree (tree->GetLeftChild()); + set t = GetSubtree (tree->GetRightChild()); + + for (set::iterator iter = t.begin(); iter != t.end(); ++iter) + s.insert (*iter); + } + else { + s.insert (tree->GetSequenceLabel()); + } + + return s; +} + +///////////////////////////////////////////////////////////////// +// TreeBasedBiPartitioning +// +// Uses the iterative refinement scheme from MUSCLE. +///////////////////////////////////////////////////////////////// + +void TreeBasedBiPartitioning (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment, + const TreeNode *tree, SafeVector &BPPMatrices){ + // check if this is a node of the alignment tree + if (tree->GetSequenceLabel() == -1){ + TreeBasedBiPartitioning (sparseMatrices, model, alignment, tree->GetLeftChild(), BPPMatrices); + TreeBasedBiPartitioning (sparseMatrices, model, alignment, tree->GetRightChild(), BPPMatrices); + + set leftSubtree = GetSubtree (tree->GetLeftChild()); + set rightSubtree = GetSubtree (tree->GetRightChild()); + set leftSubtreeComplement, rightSubtreeComplement; + + // calculate complement of each subtree + for (int i = 0; i < alignment->GetNumSequences(); i++){ + if (leftSubtree.find(i) == leftSubtree.end()) leftSubtreeComplement.insert (i); + if (rightSubtree.find(i) == rightSubtree.end()) rightSubtreeComplement.insert (i); + } + + // perform realignments for edge to left child + if (!leftSubtree.empty() && !leftSubtreeComplement.empty()){ + MultiSequence *groupOneSeqs = alignment->Project (leftSubtree); assert (groupOneSeqs); + MultiSequence *groupTwoSeqs = alignment->Project (leftSubtreeComplement); assert (groupTwoSeqs); + delete alignment; + alignment = AlignAlignments (groupOneSeqs, groupTwoSeqs, sparseMatrices, model, BPPMatrices, tree->GetLeftChild()->GetIdentity()); + } + + // perform realignments for edge to right child + if (!rightSubtree.empty() && !rightSubtreeComplement.empty()){ + MultiSequence *groupOneSeqs = alignment->Project (rightSubtree); assert (groupOneSeqs); + MultiSequence *groupTwoSeqs = alignment->Project (rightSubtreeComplement); assert (groupTwoSeqs); + delete alignment; + alignment = AlignAlignments (groupOneSeqs, groupTwoSeqs, sparseMatrices, model, BPPMatrices, tree->GetRightChild()->GetIdentity()); + } + } +} + +///////////////////////////////////////////////////////////////// +// DoterativeRefinement() +// +// Performs a single round of randomized partionining iterative +// refinement. +///////////////////////////////////////////////////////////////// +/* +void DoIterativeRefinement (const SafeVector > &sparseMatrices, + const ProbabilisticModel &model, MultiSequence* &alignment){ + set groupOne, groupTwo; + + // create two separate groups + for (int i = 0; i < alignment->GetNumSequences(); i++){ + if (rand() % 2) + groupOne.insert (i); + else + groupTwo.insert (i); + } + + if (groupOne.empty() || groupTwo.empty()) return; + + // project into the two groups + MultiSequence *groupOneSeqs = alignment->Project (groupOne); assert (groupOneSeqs); + MultiSequence *groupTwoSeqs = alignment->Project (groupTwo); assert (groupTwoSeqs); + delete alignment; + + // realign + alignment = AlignAlignments (groupOneSeqs, groupTwoSeqs, sparseMatrices, model); + + delete groupOneSeqs; + delete groupTwoSeqs; +} +*/ + +///////////////////////////////////////////////////////////////// +// WriteAnnotation() +// +// Computes annotation for multiple alignment and write values +// to a file. +///////////////////////////////////////////////////////////////// + +void WriteAnnotation (MultiSequence *alignment, + const SafeVector > &sparseMatrices){ + ofstream outfile (annotationFilename.c_str()); + + if (outfile.fail()){ + cerr << "ERROR: Unable to write annotation file." << endl; + exit (1); + } + + const int alignLength = alignment->GetSequence(0)->GetLength(); + const int numSeqs = alignment->GetNumSequences(); + + SafeVector position (numSeqs, 0); + SafeVector::iterator> seqs (numSeqs); + for (int i = 0; i < numSeqs; i++) seqs[i] = alignment->GetSequence(i)->GetDataPtr(); + SafeVector > active; + active.reserve (numSeqs); + + // for every column + for (int i = 1; i <= alignLength; i++){ + + // find all aligned residues in this particular column + active.clear(); + for (int j = 0; j < numSeqs; j++){ + if (seqs[j][i] != '-'){ + active.push_back (make_pair(j, ++position[j])); + } + } + + outfile << setw(4) << ComputeScore (active, sparseMatrices) << endl; + } + + outfile.close(); +} + +///////////////////////////////////////////////////////////////// +// ComputeScore() +// +// Computes the annotation score for a particular column. +///////////////////////////////////////////////////////////////// + +int ComputeScore (const SafeVector > &active, + const SafeVector > &sparseMatrices){ + + if (active.size() <= 1) return 0; + + // ALTERNATIVE #1: Compute the average alignment score. + + float val = 0; + for (int i = 0; i < (int) active.size(); i++){ + for (int j = i+1; j < (int) active.size(); j++){ + val += sparseMatrices[active[i].first][active[j].first]->GetValue(active[i].second, active[j].second); + } + } + + return (int) (200 * val / ((int) active.size() * ((int) active.size() - 1))); + +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/MakeGnuPlot.cc b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/MakeGnuPlot.cc new file mode 100644 index 0000000..fe6641a --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/MakeGnuPlot.cc @@ -0,0 +1,58 @@ +///////////////////////////////////////////////////////////////// +// MakeGnuPlot.cc +///////////////////////////////////////////////////////////////// + +#include +#include + +using namespace std; + +int main (int argc, char **argv){ + + if (argc == 1 || argc > 3){ + cerr << "Usage: makegnuplot annotscores [refscores]" << endl; + exit (1); + } + + ifstream data (argv[1]); + + if (data.fail()){ + cerr << "ERROR: Could not open file " << argv[1] << endl; + exit (1); + } + + int x, ct = 0; + while (data >> x) ct++; + data.close(); + + ofstream out ("temporary_gnuplot_script"); + + if (out.fail()){ + cerr << "ERROR: Could not create temporary file." << endl; + exit (1); + } + + out << "set title \"Column Reliability Scores\"" << endl + << "set xlabel \"Alignment Position\"" << endl + << "set ylabel \"Column Reliability\"" << endl + << "set xr [1:" << ct << "]" << endl + << "set term postscript enhanced color" << endl + << "set output \"reliability.ps\"" << endl; + + if (argc == 3){ + out << "set style fill solid 0.5 noborder" << endl + << "plot \"" << argv[2] << "\" title \"actual\" with boxes lt 2, \\" << endl + << " \"" << argv[1] << "\" title \"predicted\" with histeps lt 1 lw 3" << endl; + } + else + out << "plot \"" << argv[1] << "\" title \"predicted\" with histeps lt 1 lw 3" << endl; + + out.close(); + + if (system ("gnuplot temporary_gnuplot_script") == -1){ + cerr << "ERROR: Could not run Gnuplot correctly." << endl; + exit (1); + } + + //system ("rm temporary_gnuplot_script"); +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Makefile b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Makefile new file mode 100644 index 0000000..d7581ec --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Makefile @@ -0,0 +1,58 @@ +################################################################################ +# Makefile for probcons +################################################################################ + +################################################################################ +# 1) Choose C++ compiler. +################################################################################ + +CXX = g++ + +################################################################################ +# 2) Set C++ flags. +# a) DEBUG mode -- no optimizations, enable SafeVector checking, no inlining +# b) PROFILE mode -- for gprof +# c) RELEASE mode +################################################################################ + +OTHERFLAGS = -DNumInsertStates=1 -DVERSION="1.10" + +# debug mode +#CXXFLAGS = -g -W -Wall -pedantic -DENABLE_CHECKS -fno-inline $(OTHERFLAGS) + +# profile mode +#CXXFLAGS = -pg -W -Wall -pedantic $(OTHERFLAGS) + +# release mode +#CXXFLAGS = -O3 -W -Wall -pedantic -DNDEBUG $(OTHERFLAGS) -mmmx -msse -msse2 -mfpmath=sse -march=pentium4 -mcpu=pentium4 -funroll-loops -fomit-frame-pointer +CXXFLAGS = -O3 -W -Wall -pedantic -DNDEBUG $(OTHERFLAGS) -funroll-loops + +################################################################################ +# 3) Dependencies +################################################################################ + +TARGETS = probcons +#compare project makegnuplot + +.PHONY : all +all : $(TARGETS) + +#probcons : MultiSequence.h ProbabilisticModel.h ScoreType.h Sequence.h FileBuffer.h SparseMatrix.h EvolutionaryTree.h Defaults.h SafeVector.h Main.cc +probcons : MultiSequence.h ProbabilisticModel.h ScoreType.h Sequence.h FileBuffer.h SparseMatrix.h EvolutionaryTree.h Defaults.h SafeVector.h + $(CXX) $(CXXFLAGS) -lm -o probcons Main.cc + +compare : MultiSequence.h Sequence.h FileBuffer.h SafeVector.h CompareToRef.cc + $(CXX) $(CXXFLAGS) -o compare CompareToRef.cc + +fixref : MultiSequence.h ProbabilisticModel.h ScoreType.h Sequence.h FileBuffer.h SparseMatrix.h EvolutionaryTree.h Defaults.h SafeVector.h FixRef.cc + $(CXX) $(CXXFLAGS) -o fixref FixRef.cc + +project : MultiSequence.h Sequence.h SafeVector.h ProjectPairwise.cc + $(CXX) $(CXXFLAGS) -o project ProjectPairwise.cc + +makegnuplot : MakeGnuPlot.cc + $(CXX) $(CXXFLAGS) -o makegnuplot MakeGnuPlot.cc + +.PHONY : clean +clean: + rm -f $(TARGETS) diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/MultiSequence.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/MultiSequence.h new file mode 100644 index 0000000..b28c186 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/MultiSequence.h @@ -0,0 +1,1120 @@ +//////////////////////////////////////////////////////////////// +// MultiSequence.h +// +// Utilities for reading/writing multiple sequence data. +///////////////////////////////////////////////////////////////// + +#ifndef MULTISEQUENCE_H +#define MULTISEQUENCE_H + +#include +#include +#include +#include +#include +#include +#include +#include "SafeVector.h" +#include "Sequence.h" +#include "FileBuffer.h" + +///////////////////////////////////////////////////////////////// +// MultiSequence +// +// Class for multiple sequence alignment input/output. +///////////////////////////////////////////////////////////////// + +namespace MXSCARNA { +class MultiSequence { + + SafeVector *sequences; + + public: + + ///////////////////////////////////////////////////////////////// + // MultiSequence::MultiSequence() + // + // Default constructor. + ///////////////////////////////////////////////////////////////// + + MultiSequence () : sequences (NULL) {} + + ///////////////////////////////////////////////////////////////// + // MultiSequence::MultiSequence() + // + // Constructor. Load MFA from a FileBuffer object. + ///////////////////////////////////////////////////////////////// + + MultiSequence (FileBuffer &infile) : sequences (NULL) { + LoadMFA (infile); + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::MultiSequence() + // + // Constructor. Load MFA from a filename. + ///////////////////////////////////////////////////////////////// + + MultiSequence (const string &filename) : sequences (NULL){ + LoadMFA (filename); + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::~MultiSequence() + // + // Destructor. Gets rid of sequence objects contained in the + // multiple alignment. + ///////////////////////////////////////////////////////////////// + + ~MultiSequence(){ + + // if sequences allocated + if (sequences){ + + // free all sequences + for (SafeVector::iterator iter = sequences->begin(); iter != sequences->end(); ++iter){ + assert (*iter); + delete *iter; + *iter = NULL; + } + + // free sequence vector + delete sequences; + sequences = NULL; + } + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::LoadMFA() + // + // Load MFA from a filename. + ///////////////////////////////////////////////////////////////// + + void LoadMFA (const string &filename, bool stripGaps = false){ + + // try opening file + FileBuffer infile (filename.c_str()); + + if (infile.fail()){ + cerr << "ERROR: Could not open file '" << filename << "' for reading." << endl; + exit (1); + } + + // if successful, then load using other LoadMFA() routine + LoadMFA (infile, stripGaps); + + infile.close(); + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::LoadMFA() + // + // Load MSF from a FileBuffer object. + ///////////////////////////////////////////////////////////////// + + void ParseMSF (FileBuffer &infile, string header, bool stripGaps = false){ + + SafeVector *> seqData; + SafeVector seqNames; + SafeVector seqLengths; + + istringstream in; + bool valid = true; + bool missingHeader = false; + bool clustalW = false; + + // read until data starts + while (!infile.eof() && header.find ("..", 0) == string::npos){ + if (header.find ("CLUSTAL", 0) == 0 || header.find ("PROBCONS", 0) == 0){ + clustalW = true; + break; + } + infile.GetLine (header); + if (header.find ("//", 0) != string::npos){ + missingHeader = true; + break; + } + } + + // read until end-of-file + while (valid){ + infile.GetLine (header); + if (infile.eof()) break; + + string word; + in.clear(); + in.str(header); + + // check if there's anything on this line + if (in >> word){ + + // clustalw name parsing + if (clustalW){ + if (!isspace(header[0]) && find (seqNames.begin(), seqNames.end(), word) == seqNames.end()){ + seqNames.push_back (word); + seqData.push_back (new SafeVector()); + seqLengths.push_back (0); + seqData[(int) seqData.size() - 1]->push_back ('@'); + } + } + + // look for new sequence label + if (word == string ("Name:")){ + if (in >> word){ + seqNames.push_back (word); + seqData.push_back (new SafeVector()); + seqLengths.push_back (0); + seqData[(int) seqData.size() - 1]->push_back ('@'); + } + else + valid = false; + } + + // check if this is sequence data + else if (find (seqNames.begin(), seqNames.end(), word) != seqNames.end()){ + int index = find (seqNames.begin(), seqNames.end(), word) - seqNames.begin(); + + // read all remaining characters on the line + char ch; + while (in >> ch){ + if (isspace (ch)) continue; +// if (ch >= 'a' && ch <= 'z') ch = ch - 'a' + 'A'; + if (ch == '.') ch = '-'; + if (stripGaps && ch == '-') continue; +/* + if (!((ch >= 'A' && ch <= 'Z') || ch == '*' || ch == '-')){ + cerr << "ERROR: Unknown character encountered: " << ch << endl; + exit (1); + } +*/ + if (!((ch >= 'A' && ch <= 'Z') || (ch >= 'a' && ch <= 'z') || ch == '*' || ch == '-')){ + cerr << "ERROR: Unknown character encountered: " << ch << endl; + exit (1); + } + + // everything's ok so far, so just store this character. + seqData[index]->push_back (ch); + seqLengths[index]++; + } + } + else if (missingHeader){ + seqNames.push_back (word); + seqData.push_back (new SafeVector()); + seqLengths.push_back (0); + seqData[(int) seqData.size() - 1]->push_back ('@'); + + int index = (int) seqNames.size() - 1; + + // read all remaining characters on the line + char ch; + while (in >> ch){ + if (isspace (ch)) continue; +// if (ch >= 'a' && ch <= 'z') ch = ch - 'a' + 'A'; + if (ch == '.') ch = '-'; + if (stripGaps && ch == '-') continue; + + if (!((ch >= 'A' && ch <= 'Z') || ch == '*' || ch == '-')){ + cerr << "ERROR: Unknown character encountered: " << ch << endl; + exit (1); + } +/* + if (!((ch >= 'A' && ch <= 'Z') || (ch >= 'a' && ch <= 'z') || ch == '*' || ch == '-')){ + cerr << "ERROR: Unknown character encountered: " << ch << endl; + exit (1); + } +*/ + // everything's ok so far, so just store this character. + seqData[index]->push_back (ch); + seqLengths[index]++; + } + } + } + } + + // check for errorsq + if (seqNames.size() == 0){ + cerr << "ERROR: No sequences read!" << endl; + exit (1); + } + + assert (!sequences); + sequences = new SafeVector; + for (int i = 0; i < (int) seqNames.size(); i++){ + if (seqLengths[i] == 0){ + cerr << "ERROR: Sequence of zero length!" << endl; + exit (1); + } + Sequence *seq = new Sequence (seqData[i], seqNames[i], seqLengths[i], i, i); + sequences->push_back (seq); + } + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::LoadMFA() + // + // Load MFA from a FileBuffer object. + ///////////////////////////////////////////////////////////////// + + void LoadMFA (FileBuffer &infile, bool stripGaps = false){ + + // check to make sure that file reading is ok + if (infile.fail()){ + cerr << "ERROR: Error reading file." << endl; + exit (1); + } + + // read all sequences + while (true){ + + // get the sequence label as being the current # of sequences + // NOTE: sequence labels here are zero-based + int index = (!sequences) ? 0 : sequences->size(); + + // read the sequence + Sequence *seq = new Sequence (infile, stripGaps); + if (seq->Fail()){ + + // check if alternative file format (i.e. not MFA) + if (index == 0){ + string header = seq->GetHeader(); + if (header.length() > 0 && header[0] != '>'){ + // try MSF format + ParseMSF (infile, header); + break; + } + } + + delete seq; + break; + } + seq->SetLabel (index); + + // add the sequence to the list of current sequences + if (!sequences) sequences = new SafeVector; + sequences->push_back (seq); + } + + // make sure at least one sequence was read + if (!sequences){ + cerr << "ERROR: No sequences read." << endl; + exit (1); + } + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::AddSequence() + // + // Add another sequence to an existing sequence list + ///////////////////////////////////////////////////////////////// + + void AddSequence (Sequence *sequence){ + assert (sequence); + assert (!sequence->Fail()); + + // add sequence + if (!sequences) sequences = new SafeVector; + sequences->push_back (sequence); + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::RemoveSequence() + // + // Remove a sequence from the MultiSequence + ///////////////////////////////////////////////////////////////// + + void RemoveSequence (int index){ + assert (sequences); + + assert (index >= 0 && index < (int) sequences->size()); + delete (*sequences)[index]; + + sequences->erase (sequences->begin() + index); + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::WriteMFA() + // + // Write MFA to the outfile. Allows the user to specify the + // number of columns for the output. Also, useIndices determines + // whether or not the actual sequence comments will be printed + // out or whether the artificially assigned sequence labels will + // be used instead. + ///////////////////////////////////////////////////////////////// + + void WriteMFA (ostream &outfile, string *ssCons = NULL, int numColumns = 60, bool useIndices = false){ + if (!sequences) return; + + // loop through all sequences and write them out + for (SafeVector::iterator iter = sequences->begin(); iter != sequences->end(); ++iter){ + (*iter)->WriteMFA (outfile, numColumns, useIndices); + } + + int count = 0; + if (ssCons != NULL) { + outfile << ">#=GC SS_cons" << endl; + int length = ssCons->length(); + for (int i = 1; i < length; i++ ) { + outfile << ssCons->at(i); + ++count; + + if (numColumns <= count) { + outfile << endl; + count = 0; + } + + } + } + outfile << endl; + } + + void WriteMFAseq (ostream &outfile, int numColumns = 60, bool useIndices = false){ + if (!sequences) return; + + // loop through all sequences and write them out + for (SafeVector::iterator iter = sequences->begin(); iter != sequences->end(); ++iter){ + (*iter)->WriteMFA (outfile, numColumns, useIndices); + } + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::GetAnnotationChar() + // + // Return CLUSTALW annotation for column. + ///////////////////////////////////////////////////////////////// + + char GetAnnotationChar (SafeVector &column){ + SafeVector counts (256, 0); + int allChars = (int) column.size(); + + for (int i = 0; i < allChars; i++){ + counts[(unsigned char) toupper(column[i])]++; + } + + allChars -= counts[(unsigned char) '-']; + if (allChars == 1) return ' '; + + for (int i = 0; i < 256; i++) if ((char) i != '-' && counts[i] == allChars) return '*'; + + if (counts[(unsigned char) 'S'] + + counts[(unsigned char) 'T'] + + counts[(unsigned char) 'A'] == allChars) + return ':'; + + if (counts[(unsigned char) 'N'] + + counts[(unsigned char) 'E'] + + counts[(unsigned char) 'Q'] + + counts[(unsigned char) 'K'] == allChars) + return ':'; + + if (counts[(unsigned char) 'N'] + + counts[(unsigned char) 'H'] + + counts[(unsigned char) 'Q'] + + counts[(unsigned char) 'K'] == allChars) + return ':'; + + if (counts[(unsigned char) 'N'] + + counts[(unsigned char) 'D'] + + counts[(unsigned char) 'E'] + + counts[(unsigned char) 'Q'] == allChars) + return ':'; + + if (counts[(unsigned char) 'Q'] + + counts[(unsigned char) 'H'] + + counts[(unsigned char) 'R'] + + counts[(unsigned char) 'K'] == allChars) + return ':'; + + if (counts[(unsigned char) 'M'] + + counts[(unsigned char) 'I'] + + counts[(unsigned char) 'L'] + + counts[(unsigned char) 'V'] == allChars) + return ':'; + + if (counts[(unsigned char) 'M'] + + counts[(unsigned char) 'I'] + + counts[(unsigned char) 'L'] + + counts[(unsigned char) 'F'] == allChars) + return ':'; + + if (counts[(unsigned char) 'H'] + + counts[(unsigned char) 'Y'] == allChars) + return ':'; + + if (counts[(unsigned char) 'F'] + + counts[(unsigned char) 'Y'] + + counts[(unsigned char) 'W'] == allChars) + return ':'; + + if (counts[(unsigned char) 'C'] + + counts[(unsigned char) 'S'] + + counts[(unsigned char) 'A'] == allChars) + return '.'; + + if (counts[(unsigned char) 'A'] + + counts[(unsigned char) 'T'] + + counts[(unsigned char) 'V'] == allChars) + return '.'; + + if (counts[(unsigned char) 'S'] + + counts[(unsigned char) 'A'] + + counts[(unsigned char) 'G'] == allChars) + return '.'; + + if (counts[(unsigned char) 'S'] + + counts[(unsigned char) 'T'] + + counts[(unsigned char) 'N'] + + counts[(unsigned char) 'K'] == allChars) + return '.'; + + if (counts[(unsigned char) 'S'] + + counts[(unsigned char) 'T'] + + counts[(unsigned char) 'P'] + + counts[(unsigned char) 'A'] == allChars) + return '.'; + + if (counts[(unsigned char) 'S'] + + counts[(unsigned char) 'G'] + + counts[(unsigned char) 'N'] + + counts[(unsigned char) 'D'] == allChars) + return '.'; + + if (counts[(unsigned char) 'S'] + + counts[(unsigned char) 'N'] + + counts[(unsigned char) 'D'] + + counts[(unsigned char) 'E'] + + counts[(unsigned char) 'Q'] + + counts[(unsigned char) 'K'] == allChars) + return '.'; + + if (counts[(unsigned char) 'N'] + + counts[(unsigned char) 'D'] + + counts[(unsigned char) 'E'] + + counts[(unsigned char) 'Q'] + + counts[(unsigned char) 'H'] + + counts[(unsigned char) 'K'] == allChars) + return '.'; + + if (counts[(unsigned char) 'N'] + + counts[(unsigned char) 'E'] + + counts[(unsigned char) 'H'] + + counts[(unsigned char) 'Q'] + + counts[(unsigned char) 'R'] + + counts[(unsigned char) 'K'] == allChars) + return '.'; + + if (counts[(unsigned char) 'F'] + + counts[(unsigned char) 'V'] + + counts[(unsigned char) 'L'] + + counts[(unsigned char) 'I'] + + counts[(unsigned char) 'M'] == allChars) + return '.'; + + if (counts[(unsigned char) 'H'] + + counts[(unsigned char) 'F'] + + counts[(unsigned char) 'Y'] == allChars) + return '.'; + + return ' '; + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::WriteALN() + // + // Write ALN to the outfile. Allows the user to specify the + // number of columns for the output. + ///////////////////////////////////////////////////////////////// + + void WriteALN (ostream &outfile, int numColumns = 60){ + if (!sequences) return; + +// outfile << "Multplex SCARNA version " << VERSION << " multiple sequence alignment" << endl; +// outfile << "PROBCONS version " << VERSION << " multiple sequence alignment" << endl; + outfile << "CLUSTAL W(1.83) multiple sequence alignment" << endl; +// outfile << "//" << endl; + + int longestComment = 0; + SafeVector::iterator> ptrs (GetNumSequences()); + SafeVector lengths (GetNumSequences()); + for (int i = 0; i < GetNumSequences(); i++){ + ptrs[i] = GetSequence (i)->GetDataPtr(); + lengths[i] = GetSequence (i)->GetLength(); + longestComment = max (longestComment, (int) GetSequence(i)->GetName().length()); + } + longestComment += 4; + + int writtenChars = 0; + bool allDone = false; + + while (!allDone){ + outfile << endl; + allDone = true; + + // loop through all sequences and write them out + for (int i = 0; i < GetNumSequences(); i++){ + + if (writtenChars < lengths[i]){ + outfile << GetSequence(i)->GetName(); + for (int j = 0; j < longestComment - (int) GetSequence(i)->GetName().length(); j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + if (writtenChars + j < lengths[i]) + outfile << ptrs[i][writtenChars + j + 1]; + else + break; + } + + outfile << endl; + + if (writtenChars + numColumns < lengths[i]) allDone = false; + } + } + + // write annotation line + for (int j = 0; j < longestComment; j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + SafeVector column; + + for (int i = 0; i < GetNumSequences(); i++) + if (writtenChars + j < lengths[i]) + column.push_back (ptrs[i][writtenChars + j + 1]); + + if (column.size() > 0) + outfile << GetAnnotationChar (column); + } + + outfile << endl; + writtenChars += numColumns; + } + outfile << endl; + } + + //////////////////////////////////////////////////////////////// + // MultiSequence::WriteWEB(); + // + // Write ALN to the outfile. Allows the user to specify the + // number of columns for the output. + /////////////////////////////////////////////////////////////// + void WriteWEB (ostream &outfile, string *ssCons = NULL, int numColumns = 60, bool useIndices = false){ + if (!sequences) return; + + // loop through all sequences and write them out + for (SafeVector::iterator iter = sequences->begin(); iter != sequences->end(); ++iter){ + (*iter)->WriteWEB (outfile, numColumns, useIndices); + } + + // write conservation + outfile << "" << endl; + int longestComment = 0; + SafeVector::iterator> ptrs (GetNumSequences()); + SafeVector lengths (GetNumSequences()); + for (int i = 0; i < GetNumSequences(); i++){ + ptrs[i] = GetSequence (i)->GetDataPtr(); + lengths[i] = GetSequence (i)->GetLength(); + longestComment = max (longestComment, (int) GetSequence(i)->GetName().length()); + } + longestComment += 4; + + int writtenChars = 0; + bool allDone = false; + + while (!allDone){ +// outfile << endl; + allDone = true; + + // loop through all sequences and write them out + for (int i = 0; i < GetNumSequences(); i++){ + + if (writtenChars < lengths[i]){ +// outfile << GetSequence(i)->GetName(); + for (int j = 0; j < longestComment - (int) GetSequence(i)->GetName().length(); j++) +// outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + if (writtenChars + j < lengths[i]); +// outfile << ptrs[i][writtenChars + j + 1]; + else + break; + } + +// outfile << endl; + + if (writtenChars + numColumns < lengths[i]) allDone = false; + } + } + + // write annotation line +// for (int j = 0; j < longestComment; j++) +// outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + SafeVector column; + + for (int i = 0; i < GetNumSequences(); i++) + if (writtenChars + j < lengths[i]) + column.push_back (ptrs[i][writtenChars + j + 1]); + + if (column.size() > 0) + outfile << GetAnnotationChar (column); + } + +// outfile << endl; + writtenChars += numColumns; + } + outfile << endl; + outfile << "" << endl; + + // write structure information + if (ssCons != NULL) { + outfile << "" << endl; + int length = ssCons->length(); + for (int i = 1; i < length; i++ ) { + outfile << ssCons->at(i); + } + outfile << endl; + outfile << "" << endl; + + // add coordinate information 06/09/14 + outfile << "" << endl; + + int segmentPos = 1; + for (int i = 1; i < length; i++) { + int count = 0; + + if ( ssCons->at(i) == '(' ) { + ++count; + + int j = i; + while (count != 0) { + char ch = ssCons->at(++j); + if (ch == '(') + ++count; + else if (ch == ')') + --count; + } + + outfile << "" << endl; + + } + } + } + outfile << "" << endl; + + outfile << "" << endl; + WriteMXSCARNA (outfile, ssCons); + outfile << "" << endl; + + outfile << "" << endl; + WriteALN (outfile); + outfile << "" << endl; + + outfile << "" << endl; + WriteMFA (outfile, ssCons); + outfile << "" << endl; + + outfile << "" << endl; + WriteWebSTOCKHOLM (outfile, ssCons); + outfile << "" << endl; + } + + //////////////////////////////////////////////////////////////// + // MultiSequence::WriteSTOCKHOLM(); + // + // Write STOCKHOLM to the outfile. Allows the user to specify the + // number of columns for the output. + /////////////////////////////////////////////////////////////// + void WriteSTOCKHOLM (ostream &outfile, string *ssCons = NULL, int numColumns = 60) { + if (!sequences) return; + + outfile << "# STOCKHOLM 1.0" << endl; + + int longestComment = 0; + SafeVector::iterator> ptrs (GetNumSequences()); + SafeVector lengths (GetNumSequences()); + for (int i = 0; i < GetNumSequences(); i++){ + ptrs[i] = GetSequence (i)->GetDataPtr(); + lengths[i] = GetSequence (i)->GetLength(); + longestComment = max (longestComment, (int) GetSequence(i)->GetName().length()); + } + longestComment += 4; + + int writtenChars = 0; + bool allDone = false; + + while (!allDone){ + outfile << endl; + allDone = true; + + // loop through all sequences and write them out + for (int i = 0; i < GetNumSequences(); i++){ + + if (writtenChars < lengths[i]){ + outfile << GetSequence(i)->GetName(); + for (int j = 0; j < longestComment - (int) GetSequence(i)->GetName().length(); j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + if (writtenChars + j < lengths[i]) + if (ptrs[i][writtenChars + j + 1] != '-') + outfile << ptrs[i][writtenChars + j + 1]; + else + outfile << "."; + else + break; + } + + outfile << endl; + + if (writtenChars + numColumns < lengths[i]) allDone = false; + } + } + + // write ssCons + + if (ssCons != NULL) { + outfile << "#=GC SS_cons"; + int lengthSScons = 12; + for (int j = 0; j < longestComment - lengthSScons; j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++) { + if (ssCons->at(writtenChars + j + 1) == '(') + outfile << "<"; + else if (ssCons->at(writtenChars + j + 1) == ')') + outfile << ">"; + else + outfile << "."; + if ((unsigned int)writtenChars + j + 1 >= ssCons->length() - 1) + break; + } + outfile << endl; + } + + writtenChars += numColumns; + } + outfile << "//"; + outfile << endl; + } + + //////////////////////////////////////////////////////////////// + // MultiSequence::WriteSTOCKHOLM(); + // + // Write STOCKHOLM to the outfile. Allows the user to specify the + // number of columns for the output. + /////////////////////////////////////////////////////////////// + void WriteWebSTOCKHOLM (ostream &outfile, string *ssCons = NULL, int numColumns = 60) { + if (!sequences) return; + + outfile << "# STOCKHOLM 1.0" << endl; + + int longestComment = 0; + SafeVector::iterator> ptrs (GetNumSequences()); + SafeVector lengths (GetNumSequences()); + for (int i = 0; i < GetNumSequences(); i++){ + ptrs[i] = GetSequence (i)->GetDataPtr(); + lengths[i] = GetSequence (i)->GetLength(); + longestComment = max (longestComment, (int) GetSequence(i)->GetName().length()); + } + longestComment += 4; + + int writtenChars = 0; + bool allDone = false; + + while (!allDone){ + outfile << endl; + allDone = true; + + // loop through all sequences and write them out + for (int i = 0; i < GetNumSequences(); i++){ + + if (writtenChars < lengths[i]){ + outfile << GetSequence(i)->GetName(); + for (int j = 0; j < longestComment - (int) GetSequence(i)->GetName().length(); j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + if (writtenChars + j < lengths[i]) + if (ptrs[i][writtenChars + j + 1] != '-') + outfile << ptrs[i][writtenChars + j + 1]; + else + outfile << "."; + else + break; + } + + outfile << endl; + + if (writtenChars + numColumns < lengths[i]) allDone = false; + } + } + + // write ssCons + + if (ssCons != NULL) { + outfile << "#=GC SS_cons"; + int lengthSScons = 12; + for (int j = 0; j < longestComment - lengthSScons; j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++) { + outfile << ssCons->at(writtenChars + j + 1); + + if ((unsigned int)writtenChars + j + 1 >= ssCons->length() - 1) + break; + } + outfile << endl; + } + + writtenChars += numColumns; + } + outfile << "//"; + outfile << endl; + } + + //////////////////////////////////////////////////////////////// + // MultiSequence::WriteMXSCARNA(); + // + // Write MXSCARNA to the outfile. Allows the user to specify the + // number of columns for the output. + /////////////////////////////////////////////////////////////// + void WriteMXSCARNA (ostream &outfile, string *ssCons = NULL, int numColumns = 60){ + if (!sequences) return; + + outfile << "Multplex SCARNA version " << VERSION << " multiple sequence alignment" << endl; + + int longestComment = 0; + SafeVector::iterator> ptrs (GetNumSequences()); + SafeVector lengths (GetNumSequences()); + for (int i = 0; i < GetNumSequences(); i++){ + ptrs[i] = GetSequence (i)->GetDataPtr(); + lengths[i] = GetSequence (i)->GetLength(); + longestComment = max (longestComment, (int) GetSequence(i)->GetName().length()); + } + longestComment += 4; + + int writtenChars = 0; + bool allDone = false; + + while (!allDone){ + outfile << endl; + allDone = true; + + // loop through all sequences and write them out + for (int i = 0; i < GetNumSequences(); i++){ + + if (writtenChars < lengths[i]){ + outfile << GetSequence(i)->GetName(); + for (int j = 0; j < longestComment - (int) GetSequence(i)->GetName().length(); j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + if (writtenChars + j < lengths[i]) + outfile << ptrs[i][writtenChars + j + 1]; + else + break; + } + + outfile << endl; + + if (writtenChars + numColumns < lengths[i]) allDone = false; + } + } + + // write ssCons + if (ssCons != NULL) { + outfile << "ss_cons"; + int lengthSScons = 7; + for (int j = 0; j < longestComment - lengthSScons; j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++) { + outfile << ssCons->at(writtenChars + j + 1); + if ((unsigned int)writtenChars + j + 1 >= ssCons->length() - 1) + break; + } + outfile << endl; + } + + // write annotation line + for (int j = 0; j < longestComment; j++) + outfile << ' '; + + for (int j = 0; j < numColumns; j++){ + SafeVector column; + + for (int i = 0; i < GetNumSequences(); i++) + if (writtenChars + j < lengths[i]) + column.push_back (ptrs[i][writtenChars + j + 1]); + + if (column.size() > 0) + outfile << GetAnnotationChar (column); + } + + outfile << endl; + writtenChars += numColumns; + } + outfile << endl; + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::GetSequence() + // + // Retrieve a sequence from the MultiSequence object. + ///////////////////////////////////////////////////////////////// + + Sequence* GetSequence (int i){ + assert (sequences); + assert (0 <= i && i < (int) sequences->size()); + + return (*sequences)[i]; + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::GetSequence() + // + // Retrieve a sequence from the MultiSequence object + // (const version). + ///////////////////////////////////////////////////////////////// + + const Sequence* GetSequence (int i) const { + assert (sequences); + assert (0 <= i && i < (int) sequences->size()); + + return (*sequences)[i]; + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::GetNumSequences() + // + // Returns the number of sequences in the MultiSequence. + ///////////////////////////////////////////////////////////////// + + int GetNumSequences () const { + if (!sequences) return 0; + return (int) sequences->size(); + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::SortByHeader() + // + // Organizes the sequences according to their sequence headers + // in ascending order. + ///////////////////////////////////////////////////////////////// + + void SortByHeader () { + assert (sequences); + + // a quick and easy O(n^2) sort + for (int i = 0; i < (int) sequences->size()-1; i++){ + for (int j = i+1; j < (int) sequences->size(); j++){ + if ((*sequences)[i]->GetHeader() > (*sequences)[j]->GetHeader()) + swap ((*sequences)[i], (*sequences)[j]); + } + } + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::SortByLabel() + // + // Organizes the sequences according to their sequence labels + // in ascending order. + ///////////////////////////////////////////////////////////////// + + void SortByLabel () { + assert (sequences); + + // a quick and easy O(n^2) sort + for (int i = 0; i < (int) sequences->size()-1; i++){ + for (int j = i+1; j < (int) sequences->size(); j++){ + if ((*sequences)[i]->GetSortLabel() > (*sequences)[j]->GetSortLabel()) + swap ((*sequences)[i], (*sequences)[j]); + } + } + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::SaveOrdering() + // + // Relabels sequences so as to preserve the current ordering. + ///////////////////////////////////////////////////////////////// + + void SaveOrdering () { + assert (sequences); + + for (int i = 0; i < (int) sequences->size(); i++) + (*sequences)[i]->SetSortLabel (i); + } + + ///////////////////////////////////////////////////////////////// + // MultiSequence::Project() + // + // Given a set of indices, extract all sequences from the current + // MultiSequence object whose index is included in the set. + // Then, project the multiple alignments down to the desired + // subset, and return the projection as a new MultiSequence + // object. + ///////////////////////////////////////////////////////////////// + + MultiSequence *Project (const set &indices){ + SafeVector::iterator> oldPtrs (indices.size()); + SafeVector *> newPtrs (indices.size()); + + assert (indices.size() != 0); + + // grab old data + int i = 0; + for (set::const_iterator iter = indices.begin(); iter != indices.end(); ++iter){ + oldPtrs[i++] = GetSequence (*iter)->GetDataPtr(); + } + + // compute new length + int oldLength = GetSequence (*indices.begin())->GetLength(); + int newLength = 0; + for (i = 1; i <= oldLength; i++){ + + // check to see if there is a gap in every sequence of the set + bool found = false; + for (int j = 0; !found && j < (int) indices.size(); j++) + found = (oldPtrs[j][i] != '-'); + + // if not, then this column counts towards the sequence length + if (found) newLength++; + } + + // build new alignments + for (i = 0; i < (int) indices.size(); i++){ + newPtrs[i] = new SafeVector(); assert (newPtrs[i]); + newPtrs[i]->push_back ('@'); + } + + // add all needed columns + for (i = 1; i <= oldLength; i++){ + + // make sure column is not gapped in all sequences in the set + bool found = false; + for (int j = 0; !found && j < (int) indices.size(); j++) + found = (oldPtrs[j][i] != '-'); + + // if not, then add it + if (found){ + for (int j = 0; j < (int) indices.size(); j++) + newPtrs[j]->push_back (oldPtrs[j][i]); + } + } + + // wrap sequences in MultiSequence object + MultiSequence *ret = new MultiSequence(); + i = 0; + for (set::const_iterator iter = indices.begin(); iter != indices.end(); ++iter){ + ret->AddSequence (new Sequence (newPtrs[i++], GetSequence (*iter)->GetHeader(), newLength, + GetSequence (*iter)->GetSortLabel(), GetSequence (*iter)->GetLabel())); + } + + return ret; + } +}; +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ProbabilisticModel.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ProbabilisticModel.h new file mode 100644 index 0000000..cd9dae9 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ProbabilisticModel.h @@ -0,0 +1,1211 @@ +///////////////////////////////////////////////////////////////// +// ProbabilisticModel.h +// +// Routines for (1) posterior probability computations +// (2) chained anchoring +// (3) maximum weight trace alignment +///////////////////////////////////////////////////////////////// + +#ifndef PROBABILISTICMODEL_H +#define PROBABILISTICMODEL_H + +#include +#include +#include +#include "SafeVector.h" +#include "ScoreType.h" +#include "SparseMatrix.h" +#include "MultiSequence.h" +#include "StemCandidate.hpp" +#include "scarna.hpp" +#include "nrutil.h" +#include + +using namespace std; + +const int NumMatchStates = 1; // note that in this version the number + // of match states is fixed at 1...will + // change in future versions +const int NumMatrixTypes = NumMatchStates + NumInsertStates * 2; + +///////////////////////////////////////////////////////////////// +// ProbabilisticModel +// +// Class for storing the parameters of a probabilistic model and +// performing different computations based on those parameters. +// In particular, this class handles the computation of +// posterior probabilities that may be used in alignment. +///////////////////////////////////////////////////////////////// +namespace MXSCARNA { +class ProbabilisticModel { + + float initialDistribution[NumMatrixTypes]; // holds the initial probabilities for each state + float transProb[NumMatrixTypes][NumMatrixTypes]; // holds all state-to-state transition probabilities + float matchProb[256][256]; // emission probabilities for match states + float insProb[256][NumMatrixTypes]; // emission probabilities for insert states + NRMat WM; + + public: + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ProbabilisticModel() + // + // Constructor. Builds a new probabilistic model using the + // given parameters. + ///////////////////////////////////////////////////////////////// + + ProbabilisticModel (const VF &initDistribMat, const VF &gapOpen, const VF &gapExtend, + const VVF &emitPairs, const VF &emitSingle){ + + // build transition matrix + VVF transMat (NumMatrixTypes, VF (NumMatrixTypes, 0.0f)); + transMat[0][0] = 1; + for (int i = 0; i < NumInsertStates; i++){ + transMat[0][2*i+1] = gapOpen[2*i]; + transMat[0][2*i+2] = gapOpen[2*i+1]; + transMat[0][0] -= (gapOpen[2*i] + gapOpen[2*i+1]); + assert (transMat[0][0] > 0); + transMat[2*i+1][2*i+1] = gapExtend[2*i]; + transMat[2*i+2][2*i+2] = gapExtend[2*i+1]; + transMat[2*i+1][2*i+2] = 0; + transMat[2*i+2][2*i+1] = 0; + transMat[2*i+1][0] = 1 - gapExtend[2*i]; + transMat[2*i+2][0] = 1 - gapExtend[2*i+1]; + } + + // create initial and transition probability matrices + for (int i = 0; i < NumMatrixTypes; i++){ + initialDistribution[i] = LOG (initDistribMat[i]); + for (int j = 0; j < NumMatrixTypes; j++) + transProb[i][j] = LOG (transMat[i][j]); + } + + // create insertion and match probability matrices + for (int i = 0; i < 256; i++){ + for (int j = 0; j < NumMatrixTypes; j++) + insProb[i][j] = LOG (emitSingle[i]); + for (int j = 0; j < 256; j++) + matchProb[i][j] = LOG (emitPairs[i][j]); + } + } + + NRMat weightMatchScore(std::vector *pscs1, std::vector *pscs2, + std::vector *matchPSCS1, std::vector *matchPSCS2, NRMat WM) { + int len = WORDLENGTH; + int size = matchPSCS1->size(); + float weight = 1000; + + for(int iter = 0; iter < size; iter++) { + int i = matchPSCS1->at(iter); + int j = matchPSCS2->at(iter); + + const StemCandidate &sc1 = pscs1->at(i); + const StemCandidate &sc2 = pscs2->at(j); + + for(int k = 0; k < len; k++) { + WM[sc1.GetPosition() + k][sc2.GetPosition() + k] += weight; +// sumWeight += weight; + } + } + return WM; + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeForwardMatrix() + // + // Computes a set of forward probability matrices for aligning + // seq1 and seq2. + // + // For efficiency reasons, a single-dimensional floating-point + // array is used here, with the following indexing scheme: + // + // forward[i + NumMatrixTypes * (j * (seq2Length+1) + k)] + // refers to the probability of aligning through j characters + // of the first sequence, k characters of the second sequence, + // and ending in state i. + ///////////////////////////////////////////////////////////////// + + VF *ComputeForwardMatrix (Sequence *seq1, Sequence *seq2) const { + + assert (seq1); + assert (seq2); + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + + // retrieve the points to the beginning of each sequence + SafeVector::iterator iter1 = seq1->GetDataPtr(); + SafeVector::iterator iter2 = seq2->GetDataPtr(); + + // create matrix + VF *forwardPtr = new VF (NumMatrixTypes * (seq1Length+1) * (seq2Length+1), LOG_ZERO); + assert (forwardPtr); + VF &forward = *forwardPtr; + + // initialization condition + forward[0 + NumMatrixTypes * (1 * (seq2Length+1) + 1)] = + initialDistribution[0] + matchProb[(unsigned char) iter1[1]][(unsigned char) iter2[1]]; + + for (int k = 0; k < NumInsertStates; k++){ + forward[2*k+1 + NumMatrixTypes * (1 * (seq2Length+1) + 0)] = + initialDistribution[2*k+1] + insProb[(unsigned char) iter1[1]][k]; + forward[2*k+2 + NumMatrixTypes * (0 * (seq2Length+1) + 1)] = + initialDistribution[2*k+2] + insProb[(unsigned char) iter2[1]][k]; + } + + // remember offset for each index combination + int ij = 0; + int i1j = -seq2Length - 1; + int ij1 = -1; + int i1j1 = -seq2Length - 2; + + ij *= NumMatrixTypes; + i1j *= NumMatrixTypes; + ij1 *= NumMatrixTypes; + i1j1 *= NumMatrixTypes; + + // compute forward scores + for (int i = 0; i <= seq1Length; i++){ + unsigned char c1 = (i == 0) ? '~' : (unsigned char) iter1[i]; + for (int j = 0; j <= seq2Length; j++){ + unsigned char c2 = (j == 0) ? '~' : (unsigned char) iter2[j]; + + if (i > 1 || j > 1){ + if (i > 0 && j > 0){ + forward[0 + ij] = forward[0 + i1j1] + transProb[0][0]; + for (int k = 1; k < NumMatrixTypes; k++) + LOG_PLUS_EQUALS (forward[0 + ij], forward[k + i1j1] + transProb[k][0]); + forward[0 + ij] += matchProb[c1][c2]; + } + if (i > 0){ + for (int k = 0; k < NumInsertStates; k++) + forward[2*k+1 + ij] = insProb[c1][k] + + LOG_ADD (forward[0 + i1j] + transProb[0][2*k+1], + forward[2*k+1 + i1j] + transProb[2*k+1][2*k+1]); + } + if (j > 0){ + for (int k = 0; k < NumInsertStates; k++) + forward[2*k+2 + ij] = insProb[c2][k] + + LOG_ADD (forward[0 + ij1] + transProb[0][2*k+2], + forward[2*k+2 + ij1] + transProb[2*k+2][2*k+2]); + } + } + + ij += NumMatrixTypes; + i1j += NumMatrixTypes; + ij1 += NumMatrixTypes; + i1j1 += NumMatrixTypes; + } + } + + return forwardPtr; + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeBackwardMatrix() + // + // Computes a set of backward probability matrices for aligning + // seq1 and seq2. + // + // For efficiency reasons, a single-dimensional floating-point + // array is used here, with the following indexing scheme: + // + // backward[i + NumMatrixTypes * (j * (seq2Length+1) + k)] + // refers to the probability of starting in state i and + // aligning from character j+1 to the end of the first + // sequence and from character k+1 to the end of the second + // sequence. + ///////////////////////////////////////////////////////////////// + + VF *ComputeBackwardMatrix (Sequence *seq1, Sequence *seq2) const { + + assert (seq1); + assert (seq2); + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + SafeVector::iterator iter1 = seq1->GetDataPtr(); + SafeVector::iterator iter2 = seq2->GetDataPtr(); + + // create matrix + VF *backwardPtr = new VF (NumMatrixTypes * (seq1Length+1) * (seq2Length+1), LOG_ZERO); + assert (backwardPtr); + VF &backward = *backwardPtr; + + // initialization condition + for (int k = 0; k < NumMatrixTypes; k++) + backward[NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1) + k] = initialDistribution[k]; + + // remember offset for each index combination + int ij = (seq1Length+1) * (seq2Length+1) - 1; + int i1j = ij + seq2Length + 1; + int ij1 = ij + 1; + int i1j1 = ij + seq2Length + 2; + + ij *= NumMatrixTypes; + i1j *= NumMatrixTypes; + ij1 *= NumMatrixTypes; + i1j1 *= NumMatrixTypes; + + // compute backward scores + for (int i = seq1Length; i >= 0; i--){ + unsigned char c1 = (i == seq1Length) ? '~' : (unsigned char) iter1[i+1]; + for (int j = seq2Length; j >= 0; j--){ + unsigned char c2 = (j == seq2Length) ? '~' : (unsigned char) iter2[j+1]; + + if (i < seq1Length && j < seq2Length){ + const float ProbXY = backward[0 + i1j1] + matchProb[c1][c2]; + for (int k = 0; k < NumMatrixTypes; k++) + LOG_PLUS_EQUALS (backward[k + ij], ProbXY + transProb[k][0]); + } + if (i < seq1Length){ + for (int k = 0; k < NumInsertStates; k++){ + LOG_PLUS_EQUALS (backward[0 + ij], backward[2*k+1 + i1j] + insProb[c1][k] + transProb[0][2*k+1]); + LOG_PLUS_EQUALS (backward[2*k+1 + ij], backward[2*k+1 + i1j] + insProb[c1][k] + transProb[2*k+1][2*k+1]); + } + } + if (j < seq2Length){ + for (int k = 0; k < NumInsertStates; k++){ + LOG_PLUS_EQUALS (backward[0 + ij], backward[2*k+2 + ij1] + insProb[c2][k] + transProb[0][2*k+2]); + LOG_PLUS_EQUALS (backward[2*k+2 + ij], backward[2*k+2 + ij1] + insProb[c2][k] + transProb[2*k+2][2*k+2]); + } + } + + ij -= NumMatrixTypes; + i1j -= NumMatrixTypes; + ij1 -= NumMatrixTypes; + i1j1 -= NumMatrixTypes; + } + } + + return backwardPtr; + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeTotalProbability() + // + // Computes the total probability of an alignment given + // the forward and backward matrices. + ///////////////////////////////////////////////////////////////// + + float ComputeTotalProbability (int seq1Length, int seq2Length, + const VF &forward, const VF &backward) const { + + // compute total probability + float totalForwardProb = LOG_ZERO; + float totalBackwardProb = LOG_ZERO; + for (int k = 0; k < NumMatrixTypes; k++){ + LOG_PLUS_EQUALS (totalForwardProb, + forward[k + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)] + + backward[k + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)]); + } + + totalBackwardProb = + forward[0 + NumMatrixTypes * (1 * (seq2Length+1) + 1)] + + backward[0 + NumMatrixTypes * (1 * (seq2Length+1) + 1)]; + + for (int k = 0; k < NumInsertStates; k++){ + LOG_PLUS_EQUALS (totalBackwardProb, + forward[2*k+1 + NumMatrixTypes * (1 * (seq2Length+1) + 0)] + + backward[2*k+1 + NumMatrixTypes * (1 * (seq2Length+1) + 0)]); + LOG_PLUS_EQUALS (totalBackwardProb, + forward[2*k+2 + NumMatrixTypes * (0 * (seq2Length+1) + 1)] + + backward[2*k+2 + NumMatrixTypes * (0 * (seq2Length+1) + 1)]); + } + + // cerr << totalForwardProb << " " << totalBackwardProb << endl; + + return (totalForwardProb + totalBackwardProb) / 2; + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputePosteriorMatrix() + // + // Computes the posterior probability matrix based on + // the forward and backward matrices. + ///////////////////////////////////////////////////////////////// + + VF *ComputePosteriorMatrix (Sequence *seq1, Sequence *seq2, + const VF &forward, const VF &backward) const { + + assert (seq1); + assert (seq2); + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + + float totalProb = ComputeTotalProbability (seq1Length, seq2Length, + forward, backward); + + // compute posterior matrices + VF *posteriorPtr = new VF((seq1Length+1) * (seq2Length+1)); assert (posteriorPtr); + VF &posterior = *posteriorPtr; + + int ij = 0; + VF::iterator ptr = posterior.begin(); + + for (int i = 0; i <= seq1Length; i++){ + for (int j = 0; j <= seq2Length; j++){ + *(ptr++) = EXP (min (LOG_ONE, forward[ij] + backward[ij] - totalProb)); + ij += NumMatrixTypes; + } + } + + posterior[0] = 0; + + return posteriorPtr; + } + + /* + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeExpectedCounts() + // + // Computes the expected counts for the various transitions. + ///////////////////////////////////////////////////////////////// + + VVF *ComputeExpectedCounts () const { + + assert (seq1); + assert (seq2); + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + SafeVector::iterator iter1 = seq1->GetDataPtr(); + SafeVector::iterator iter2 = seq2->GetDataPtr(); + + // compute total probability + float totalProb = ComputeTotalProbability (seq1Length, seq2Length, + forward, backward); + + // initialize expected counts + VVF *countsPtr = new VVF(NumMatrixTypes + 1, VF(NumMatrixTypes, LOG_ZERO)); assert (countsPtr); + VVF &counts = *countsPtr; + + // remember offset for each index combination + int ij = 0; + int i1j = -seq2Length - 1; + int ij1 = -1; + int i1j1 = -seq2Length - 2; + + ij *= NumMatrixTypes; + i1j *= NumMatrixTypes; + ij1 *= NumMatrixTypes; + i1j1 *= NumMatrixTypes; + + // compute expected counts + for (int i = 0; i <= seq1Length; i++){ + unsigned char c1 = (i == 0) ? '~' : (unsigned char) iter1[i]; + for (int j = 0; j <= seq2Length; j++){ + unsigned char c2 = (j == 0) ? '~' : (unsigned char) iter2[j]; + + if (i > 0 && j > 0){ + for (int k = 0; k < NumMatrixTypes; k++) + LOG_PLUS_EQUALS (counts[k][0], + forward[k + i1j1] + transProb[k][0] + + matchProb[c1][c2] + backward[0 + ij]); + } + if (i > 0){ + for (int k = 0; k < NumInsertStates; k++){ + LOG_PLUS_EQUALS (counts[0][2*k+1], + forward[0 + i1j] + transProb[0][2*k+1] + + insProb[c1][k] + backward[2*k+1 + ij]); + LOG_PLUS_EQUALS (counts[2*k+1][2*k+1], + forward[2*k+1 + i1j] + transProb[2*k+1][2*k+1] + + insProb[c1][k] + backward[2*k+1 + ij]); + } + } + if (j > 0){ + for (int k = 0; k < NumInsertStates; k++){ + LOG_PLUS_EQUALS (counts[0][2*k+2], + forward[0 + ij1] + transProb[0][2*k+2] + + insProb[c2][k] + backward[2*k+2 + ij]); + LOG_PLUS_EQUALS (counts[2*k+2][2*k+2], + forward[2*k+2 + ij1] + transProb[2*k+2][2*k+2] + + insProb[c2][k] + backward[2*k+2 + ij]); + } + } + + ij += NumMatrixTypes; + i1j += NumMatrixTypes; + ij1 += NumMatrixTypes; + i1j1 += NumMatrixTypes; + } + } + + // scale all expected counts appropriately + for (int i = 0; i < NumMatrixTypes; i++) + for (int j = 0; j < NumMatrixTypes; j++) + counts[i][j] -= totalProb; + + } + */ + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeNewParameters() + // + // Computes a new parameter set based on the expected counts + // given. + ///////////////////////////////////////////////////////////////// + + void ComputeNewParameters (Sequence *seq1, Sequence *seq2, + const VF &forward, const VF &backward, + VF &initDistribMat, VF &gapOpen, + VF &gapExtend, VVF &emitPairs, VF &emitSingle, bool enableTrainEmissions) const { + + assert (seq1); + assert (seq2); + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + SafeVector::iterator iter1 = seq1->GetDataPtr(); + SafeVector::iterator iter2 = seq2->GetDataPtr(); + + // compute total probability + float totalProb = ComputeTotalProbability (seq1Length, seq2Length, + forward, backward); + + // initialize expected counts + VVF transCounts (NumMatrixTypes, VF (NumMatrixTypes, LOG_ZERO)); + VF initCounts (NumMatrixTypes, LOG_ZERO); + VVF pairCounts (256, VF (256, LOG_ZERO)); + VF singleCounts (256, LOG_ZERO); + + // remember offset for each index combination + int ij = 0; + int i1j = -seq2Length - 1; + int ij1 = -1; + int i1j1 = -seq2Length - 2; + + ij *= NumMatrixTypes; + i1j *= NumMatrixTypes; + ij1 *= NumMatrixTypes; + i1j1 *= NumMatrixTypes; + + // compute initial distribution posteriors + initCounts[0] = LOG_ADD (forward[0 + NumMatrixTypes * (1 * (seq2Length+1) + 1)] + + backward[0 + NumMatrixTypes * (1 * (seq2Length+1) + 1)], + forward[0 + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)] + + backward[0 + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)]); + for (int k = 0; k < NumInsertStates; k++){ + initCounts[2*k+1] = LOG_ADD (forward[2*k+1 + NumMatrixTypes * (1 * (seq2Length+1) + 0)] + + backward[2*k+1 + NumMatrixTypes * (1 * (seq2Length+1) + 0)], + forward[2*k+1 + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)] + + backward[2*k+1 + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)]); + initCounts[2*k+2] = LOG_ADD (forward[2*k+2 + NumMatrixTypes * (0 * (seq2Length+1) + 1)] + + backward[2*k+2 + NumMatrixTypes * (0 * (seq2Length+1) + 1)], + forward[2*k+2 + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)] + + backward[2*k+2 + NumMatrixTypes * ((seq1Length+1) * (seq2Length+1) - 1)]); + } + + // compute expected counts + for (int i = 0; i <= seq1Length; i++){ + unsigned char c1 = (i == 0) ? '~' : (unsigned char) toupper(iter1[i]); + for (int j = 0; j <= seq2Length; j++){ + unsigned char c2 = (j == 0) ? '~' : (unsigned char) toupper(iter2[j]); + + if (i > 0 && j > 0){ + if (enableTrainEmissions && i == 1 && j == 1){ + LOG_PLUS_EQUALS (pairCounts[c1][c2], + initialDistribution[0] + matchProb[c1][c2] + backward[0 + ij]); + LOG_PLUS_EQUALS (pairCounts[c2][c1], + initialDistribution[0] + matchProb[c2][c1] + backward[0 + ij]); + } + + for (int k = 0; k < NumMatrixTypes; k++){ + LOG_PLUS_EQUALS (transCounts[k][0], + forward[k + i1j1] + transProb[k][0] + + matchProb[c1][c2] + backward[0 + ij]); + if (enableTrainEmissions && i != 1 || j != 1){ + LOG_PLUS_EQUALS (pairCounts[c1][c2], + forward[k + i1j1] + transProb[k][0] + + matchProb[c1][c2] + backward[0 + ij]); + LOG_PLUS_EQUALS (pairCounts[c2][c1], + forward[k + i1j1] + transProb[k][0] + + matchProb[c2][c1] + backward[0 + ij]); + } + } + } + if (i > 0){ + for (int k = 0; k < NumInsertStates; k++){ + LOG_PLUS_EQUALS (transCounts[0][2*k+1], + forward[0 + i1j] + transProb[0][2*k+1] + + insProb[c1][k] + backward[2*k+1 + ij]); + LOG_PLUS_EQUALS (transCounts[2*k+1][2*k+1], + forward[2*k+1 + i1j] + transProb[2*k+1][2*k+1] + + insProb[c1][k] + backward[2*k+1 + ij]); + if (enableTrainEmissions){ + if (i == 1 && j == 0){ + LOG_PLUS_EQUALS (singleCounts[c1], + initialDistribution[2*k+1] + insProb[c1][k] + backward[2*k+1 + ij]); + } + else { + LOG_PLUS_EQUALS (singleCounts[c1], + forward[0 + i1j] + transProb[0][2*k+1] + + insProb[c1][k] + backward[2*k+1 + ij]); + LOG_PLUS_EQUALS (singleCounts[c1], + forward[2*k+1 + i1j] + transProb[2*k+1][2*k+1] + + insProb[c1][k] + backward[2*k+1 + ij]); + } + } + } + } + if (j > 0){ + for (int k = 0; k < NumInsertStates; k++){ + LOG_PLUS_EQUALS (transCounts[0][2*k+2], + forward[0 + ij1] + transProb[0][2*k+2] + + insProb[c2][k] + backward[2*k+2 + ij]); + LOG_PLUS_EQUALS (transCounts[2*k+2][2*k+2], + forward[2*k+2 + ij1] + transProb[2*k+2][2*k+2] + + insProb[c2][k] + backward[2*k+2 + ij]); + if (enableTrainEmissions){ + if (i == 0 && j == 1){ + LOG_PLUS_EQUALS (singleCounts[c2], + initialDistribution[2*k+2] + insProb[c2][k] + backward[2*k+2 + ij]); + } + else { + LOG_PLUS_EQUALS (singleCounts[c2], + forward[0 + ij1] + transProb[0][2*k+2] + + insProb[c2][k] + backward[2*k+2 + ij]); + LOG_PLUS_EQUALS (singleCounts[c2], + forward[2*k+2 + ij1] + transProb[2*k+2][2*k+2] + + insProb[c2][k] + backward[2*k+2 + ij]); + } + } + } + } + + ij += NumMatrixTypes; + i1j += NumMatrixTypes; + ij1 += NumMatrixTypes; + i1j1 += NumMatrixTypes; + } + } + + // scale all expected counts appropriately + for (int i = 0; i < NumMatrixTypes; i++){ + initCounts[i] -= totalProb; + for (int j = 0; j < NumMatrixTypes; j++) + transCounts[i][j] -= totalProb; + } + if (enableTrainEmissions){ + for (int i = 0; i < 256; i++){ + for (int j = 0; j < 256; j++) + pairCounts[i][j] -= totalProb; + singleCounts[i] -= totalProb; + } + } + + // compute new initial distribution + float totalInitDistribCounts = 0; + for (int i = 0; i < NumMatrixTypes; i++) + totalInitDistribCounts += exp (initCounts[i]); // should be 2 + initDistribMat[0] = min (1.0f, max (0.0f, (float) exp (initCounts[0]) / totalInitDistribCounts)); + for (int k = 0; k < NumInsertStates; k++){ + float val = (exp (initCounts[2*k+1]) + exp (initCounts[2*k+2])) / 2; + initDistribMat[2*k+1] = initDistribMat[2*k+2] = min (1.0f, max (0.0f, val / totalInitDistribCounts)); + } + + // compute total counts for match state + float inMatchStateCounts = 0; + for (int i = 0; i < NumMatrixTypes; i++) + inMatchStateCounts += exp (transCounts[0][i]); + for (int i = 0; i < NumInsertStates; i++){ + + // compute total counts for gap state + float inGapStateCounts = + exp (transCounts[2*i+1][0]) + + exp (transCounts[2*i+1][2*i+1]) + + exp (transCounts[2*i+2][0]) + + exp (transCounts[2*i+2][2*i+2]); + + gapOpen[2*i] = gapOpen[2*i+1] = + (exp (transCounts[0][2*i+1]) + + exp (transCounts[0][2*i+2])) / + (2 * inMatchStateCounts); + + gapExtend[2*i] = gapExtend[2*i+1] = + (exp (transCounts[2*i+1][2*i+1]) + + exp (transCounts[2*i+2][2*i+2])) / + inGapStateCounts; + } + + if (enableTrainEmissions){ + float totalPairCounts = 0; + float totalSingleCounts = 0; + for (int i = 0; i < 256; i++){ + for (int j = 0; j <= i; j++) + totalPairCounts += exp (pairCounts[j][i]); + totalSingleCounts += exp (singleCounts[i]); + } + + for (int i = 0; i < 256; i++) if (!islower ((char) i)){ + int li = (int)((unsigned char) tolower ((char) i)); + for (int j = 0; j <= i; j++) if (!islower ((char) j)){ + int lj = (int)((unsigned char) tolower ((char) j)); + emitPairs[i][j] = emitPairs[i][lj] = emitPairs[li][j] = emitPairs[li][lj] = + emitPairs[j][i] = emitPairs[j][li] = emitPairs[lj][i] = emitPairs[lj][li] = exp(pairCounts[j][i]) / totalPairCounts; + } + emitSingle[i] = emitSingle[li] = exp(singleCounts[i]) / totalSingleCounts; + } + } + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeAlignment() + // + // Computes an alignment based on the given posterior matrix. + // This is done by finding the maximum summing path (or + // maximum weight trace) through the posterior matrix. The + // final alignment is returned as a pair consisting of: + // (1) a string (e.g., XXXBBXXXBBBBBBYYYYBBB) where X's and + // denote insertions in one of the two sequences and + // B's denote that both sequences are present (i.e. + // matches). + // (2) a float indicating the sum achieved + ///////////////////////////////////////////////////////////////// + + pair *, float> ComputeAlignment (int seq1Length, int seq2Length, const VF &posterior) const { + + float *twoRows = new float[(seq2Length+1)*2]; assert (twoRows); + float *oldRow = twoRows; + float *newRow = twoRows + seq2Length + 1; + + char *tracebackMatrix = new char[(seq1Length+1)*(seq2Length+1)]; assert (tracebackMatrix); + char *tracebackPtr = tracebackMatrix; + + VF::const_iterator posteriorPtr = posterior.begin() + seq2Length + 1; + + // initialization + for (int i = 0; i <= seq2Length; i++){ + oldRow[i] = 0; + *(tracebackPtr++) = 'L'; + } + + // fill in matrix + for (int i = 1; i <= seq1Length; i++){ + + // initialize left column + newRow[0] = 0; + posteriorPtr++; + *(tracebackPtr++) = 'U'; + + // fill in rest of row + for (int j = 1; j <= seq2Length; j++){ + ChooseBestOfThree (*(posteriorPtr++) + oldRow[j-1], newRow[j-1], oldRow[j], + 'D', 'L', 'U', &newRow[j], tracebackPtr++); // Match, insert, delete + } + + // swap rows + float *temp = oldRow; + oldRow = newRow; + newRow = temp; + } + + // store best score + float total = oldRow[seq2Length]; + delete [] twoRows; + + // compute traceback + SafeVector *alignment = new SafeVector; assert (alignment); + int r = seq1Length, c = seq2Length; + while (r != 0 || c != 0){ + char ch = tracebackMatrix[r*(seq2Length+1) + c]; + switch (ch){ + case 'L': c--; alignment->push_back ('Y'); break; + case 'U': r--; alignment->push_back ('X'); break; + case 'D': c--; r--; alignment->push_back ('B'); break; + default: assert (false); + } + } + + delete [] tracebackMatrix; + + reverse (alignment->begin(), alignment->end()); + + return make_pair(alignment, total); + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeAlignment2() + // + // Computes an alignment based on the given posterior matrix. + // This is done by finding the maximum summing path (or + // maximum weight trace) through the posterior matrix. The + // final alignment is returned as a pair consisting of: + // (1) a string (e.g., XXXBBXXXBBBBBBYYYYBBB) where X's and + // denote insertions in one of the two sequences and + // B's denote that both sequences are present (i.e. + // matches). + // (2) a float indicating the sum achieved + ///////////////////////////////////////////////////////////////// + + pair *, float> ComputeAlignment2 (int seq1Length, int seq2Length, + const VF &posterior, std::vector *pscs1, std::vector *pscs2, + std::vector *matchPSCS1, std::vector *matchPSCS2) const { + NRMat WM(seq1Length + 1, seq2Length + 1); + for (int i = 0; i <= seq1Length; i++) { + for (int j = 0; j <= seq2Length; j++) { + WM[i][j] = 0; + } + } + + int len = WORDLENGTH; + int size = matchPSCS1->size(); + float weight = 1000; + + for(int iter = 0; iter < size; iter++) { + int i = matchPSCS1->at(iter); + int j = matchPSCS2->at(iter); + + const StemCandidate &sc1 = pscs1->at(i); + const StemCandidate &sc2 = pscs2->at(j); + for(int k = 0; k < len; k++) { + WM[sc1.GetPosition() + k][sc2.GetPosition() + k] += weight; + } + } + float *twoRows = new float[(seq2Length+1)*2]; assert (twoRows); + float *oldRow = twoRows; + float *newRow = twoRows + seq2Length + 1; + + char *tracebackMatrix = new char[(seq1Length+1)*(seq2Length+1)]; assert (tracebackMatrix); + char *tracebackPtr = tracebackMatrix; + + VF::const_iterator posteriorPtr = posterior.begin() + seq2Length + 1; + + // initialization + for (int i = 0; i <= seq2Length; i++){ + oldRow[i] = 0; + *(tracebackPtr++) = 'L'; + } + + // fill in matrix + for (int i = 1; i <= seq1Length; i++){ + + // initialize left column + newRow[0] = 0; + posteriorPtr++; + *(tracebackPtr++) = 'U'; + + // fill in rest of row + for (int j = 1; j <= seq2Length; j++){ + ChooseBestOfThree (*(posteriorPtr++) + oldRow[j-1] + WM[i][j], newRow[j-1], oldRow[j], + 'D', 'L', 'U', &newRow[j], tracebackPtr++); + } + + // swap rows + float *temp = oldRow; + oldRow = newRow; + newRow = temp; + } + + // store best score + float total = oldRow[seq2Length]; + delete [] twoRows; + + // compute traceback + SafeVector *alignment = new SafeVector; assert (alignment); + int r = seq1Length, c = seq2Length; + while (r != 0 || c != 0){ + char ch = tracebackMatrix[r*(seq2Length+1) + c]; + switch (ch){ + case 'L': c--; alignment->push_back ('Y'); break; + case 'U': r--; alignment->push_back ('X'); break; + case 'D': c--; r--; alignment->push_back ('B'); break; + default: assert (false); + } + } + + delete [] tracebackMatrix; + + reverse (alignment->begin(), alignment->end()); + + return make_pair(alignment, total); + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeAlignmentWithGapPenalties() + // + // Similar to ComputeAlignment() except with gap penalties. + ///////////////////////////////////////////////////////////////// + + pair *, float> ComputeAlignmentWithGapPenalties (MultiSequence *align1, + MultiSequence *align2, + const VF &posterior, int numSeqs1, + int numSeqs2, + float gapOpenPenalty, + float gapContinuePenalty) const { + int seq1Length = align1->GetSequence(0)->GetLength(); + int seq2Length = align2->GetSequence(0)->GetLength(); + SafeVector::iterator > dataPtrs1 (align1->GetNumSequences()); + SafeVector::iterator > dataPtrs2 (align2->GetNumSequences()); + + // grab character data + for (int i = 0; i < align1->GetNumSequences(); i++) + dataPtrs1[i] = align1->GetSequence(i)->GetDataPtr(); + for (int i = 0; i < align2->GetNumSequences(); i++) + dataPtrs2[i] = align2->GetSequence(i)->GetDataPtr(); + + // the number of active sequences at any given column is defined to be the + // number of non-gap characters in that column; the number of gap opens at + // any given column is defined to be the number of gap characters in that + // column where the previous character in the respective sequence was not + // a gap + SafeVector numActive1 (seq1Length+1), numGapOpens1 (seq1Length+1); + SafeVector numActive2 (seq2Length+1), numGapOpens2 (seq2Length+1); + + // compute number of active sequences and gap opens for each group + for (int i = 0; i < align1->GetNumSequences(); i++){ + SafeVector::iterator dataPtr = align1->GetSequence(i)->GetDataPtr(); + numActive1[0] = numGapOpens1[0] = 0; + for (int j = 1; j <= seq1Length; j++){ + if (dataPtr[j] != '-'){ + numActive1[j]++; + numGapOpens1[j] += (j != 1 && dataPtr[j-1] != '-'); + } + } + } + for (int i = 0; i < align2->GetNumSequences(); i++){ + SafeVector::iterator dataPtr = align2->GetSequence(i)->GetDataPtr(); + numActive2[0] = numGapOpens2[0] = 0; + for (int j = 1; j <= seq2Length; j++){ + if (dataPtr[j] != '-'){ + numActive2[j]++; + numGapOpens2[j] += (j != 1 && dataPtr[j-1] != '-'); + } + } + } + + VVF openingPenalty1 (numSeqs1+1, VF (numSeqs2+1)); + VF continuingPenalty1 (numSeqs1+1); + VVF openingPenalty2 (numSeqs1+1, VF (numSeqs2+1)); + VF continuingPenalty2 (numSeqs2+1); + + // precompute penalties + for (int i = 0; i <= numSeqs1; i++) + for (int j = 0; j <= numSeqs2; j++) + openingPenalty1[i][j] = i * (gapOpenPenalty * j + gapContinuePenalty * (numSeqs2 - j)); + for (int i = 0; i <= numSeqs1; i++) + continuingPenalty1[i] = i * gapContinuePenalty * numSeqs2; + for (int i = 0; i <= numSeqs2; i++) + for (int j = 0; j <= numSeqs1; j++) + openingPenalty2[i][j] = i * (gapOpenPenalty * j + gapContinuePenalty * (numSeqs1 - j)); + for (int i = 0; i <= numSeqs2; i++) + continuingPenalty2[i] = i * gapContinuePenalty * numSeqs1; + + float *twoRows = new float[6*(seq2Length+1)]; assert (twoRows); + float *oldRowMatch = twoRows; + float *newRowMatch = twoRows + (seq2Length+1); + float *oldRowInsertX = twoRows + 2*(seq2Length+1); + float *newRowInsertX = twoRows + 3*(seq2Length+1); + float *oldRowInsertY = twoRows + 4*(seq2Length+1); + float *newRowInsertY = twoRows + 5*(seq2Length+1); + + char *tracebackMatrix = new char[3*(seq1Length+1)*(seq2Length+1)]; assert (tracebackMatrix); + char *tracebackPtr = tracebackMatrix; + + VF::const_iterator posteriorPtr = posterior.begin() + seq2Length + 1; + + // initialization + for (int i = 0; i <= seq2Length; i++){ + oldRowMatch[i] = oldRowInsertX[i] = (i == 0) ? 0 : LOG_ZERO; + oldRowInsertY[i] = (i == 0) ? 0 : oldRowInsertY[i-1] + continuingPenalty2[numActive2[i]]; + *(tracebackPtr) = *(tracebackPtr+1) = *(tracebackPtr+2) = 'Y'; + tracebackPtr += 3; + } + + // fill in matrix + for (int i = 1; i <= seq1Length; i++){ + + // initialize left column + newRowMatch[0] = newRowInsertY[0] = LOG_ZERO; + newRowInsertX[0] = oldRowInsertX[0] + continuingPenalty1[numActive1[i]]; + posteriorPtr++; + *(tracebackPtr) = *(tracebackPtr+1) = *(tracebackPtr+2) = 'X'; + tracebackPtr += 3; + + // fill in rest of row + for (int j = 1; j <= seq2Length; j++){ + + // going to MATCH state + ChooseBestOfThree (oldRowMatch[j-1], + oldRowInsertX[j-1], + oldRowInsertY[j-1], + 'M', 'X', 'Y', &newRowMatch[j], tracebackPtr++); + newRowMatch[j] += *(posteriorPtr++); + + // going to INSERT X state + ChooseBestOfThree (oldRowMatch[j] + openingPenalty1[numActive1[i]][numGapOpens2[j]], + oldRowInsertX[j] + continuingPenalty1[numActive1[i]], + oldRowInsertY[j] + openingPenalty1[numActive1[i]][numGapOpens2[j]], + 'M', 'X', 'Y', &newRowInsertX[j], tracebackPtr++); + + // going to INSERT Y state + ChooseBestOfThree (newRowMatch[j-1] + openingPenalty2[numActive2[j]][numGapOpens1[i]], + newRowInsertX[j-1] + openingPenalty2[numActive2[j]][numGapOpens1[i]], + newRowInsertY[j-1] + continuingPenalty2[numActive2[j]], + 'M', 'X', 'Y', &newRowInsertY[j], tracebackPtr++); + } + + // swap rows + float *temp; + temp = oldRowMatch; oldRowMatch = newRowMatch; newRowMatch = temp; + temp = oldRowInsertX; oldRowInsertX = newRowInsertX; newRowInsertX = temp; + temp = oldRowInsertY; oldRowInsertY = newRowInsertY; newRowInsertY = temp; + } + + // store best score + float total; + char matrix; + ChooseBestOfThree (oldRowMatch[seq2Length], oldRowInsertX[seq2Length], oldRowInsertY[seq2Length], + 'M', 'X', 'Y', &total, &matrix); + + delete [] twoRows; + + // compute traceback + SafeVector *alignment = new SafeVector; assert (alignment); + int r = seq1Length, c = seq2Length; + while (r != 0 || c != 0){ + + int offset = (matrix == 'M') ? 0 : (matrix == 'X') ? 1 : 2; + char ch = tracebackMatrix[(r*(seq2Length+1) + c) * 3 + offset]; + switch (matrix){ + case 'Y': c--; alignment->push_back ('Y'); break; + case 'X': r--; alignment->push_back ('X'); break; + case 'M': c--; r--; alignment->push_back ('B'); break; + default: assert (false); + } + matrix = ch; + } + + delete [] tracebackMatrix; + + reverse (alignment->begin(), alignment->end()); + + return make_pair(alignment, 1.0f); + } + + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::ComputeViterbiAlignment() + // + // Computes the highest probability pairwise alignment using the + // probabilistic model. The final alignment is returned as a + // pair consisting of: + // (1) a string (e.g., XXXBBXXXBBBBBBYYYYBBB) where X's and + // denote insertions in one of the two sequences and + // B's denote that both sequences are present (i.e. + // matches). + // (2) a float containing the log probability of the best + // alignment (not used) + ///////////////////////////////////////////////////////////////// + + pair *, float> ComputeViterbiAlignment (Sequence *seq1, Sequence *seq2) const { + + assert (seq1); + assert (seq2); + + const int seq1Length = seq1->GetLength(); + const int seq2Length = seq2->GetLength(); + + // retrieve the points to the beginning of each sequence + SafeVector::iterator iter1 = seq1->GetDataPtr(); + SafeVector::iterator iter2 = seq2->GetDataPtr(); + + // create viterbi matrix + VF *viterbiPtr = new VF (NumMatrixTypes * (seq1Length+1) * (seq2Length+1), LOG_ZERO); + assert (viterbiPtr); + VF &viterbi = *viterbiPtr; + + // create traceback matrix + VI *tracebackPtr = new VI (NumMatrixTypes * (seq1Length+1) * (seq2Length+1), -1); + assert (tracebackPtr); + VI &traceback = *tracebackPtr; + + // initialization condition + for (int k = 0; k < NumMatrixTypes; k++) + viterbi[k] = initialDistribution[k]; + + // remember offset for each index combination + int ij = 0; + int i1j = -seq2Length - 1; + int ij1 = -1; + int i1j1 = -seq2Length - 2; + + ij *= NumMatrixTypes; + i1j *= NumMatrixTypes; + ij1 *= NumMatrixTypes; + i1j1 *= NumMatrixTypes; + + // compute viterbi scores + for (int i = 0; i <= seq1Length; i++){ + unsigned char c1 = (i == 0) ? '~' : (unsigned char) iter1[i]; + for (int j = 0; j <= seq2Length; j++){ + unsigned char c2 = (j == 0) ? '~' : (unsigned char) iter2[j]; + + if (i > 0 && j > 0){ + for (int k = 0; k < NumMatrixTypes; k++){ + float newVal = viterbi[k + i1j1] + transProb[k][0] + matchProb[c1][c2]; + if (viterbi[0 + ij] < newVal){ + viterbi[0 + ij] = newVal; + traceback[0 + ij] = k; + } + } + } + if (i > 0){ + for (int k = 0; k < NumInsertStates; k++){ + float valFromMatch = insProb[c1][k] + viterbi[0 + i1j] + transProb[0][2*k+1]; + float valFromIns = insProb[c1][k] + viterbi[2*k+1 + i1j] + transProb[2*k+1][2*k+1]; + if (valFromMatch >= valFromIns){ + viterbi[2*k+1 + ij] = valFromMatch; + traceback[2*k+1 + ij] = 0; + } + else { + viterbi[2*k+1 + ij] = valFromIns; + traceback[2*k+1 + ij] = 2*k+1; + } + } + } + if (j > 0){ + for (int k = 0; k < NumInsertStates; k++){ + float valFromMatch = insProb[c2][k] + viterbi[0 + ij1] + transProb[0][2*k+2]; + float valFromIns = insProb[c2][k] + viterbi[2*k+2 + ij1] + transProb[2*k+2][2*k+2]; + if (valFromMatch >= valFromIns){ + viterbi[2*k+2 + ij] = valFromMatch; + traceback[2*k+2 + ij] = 0; + } + else { + viterbi[2*k+2 + ij] = valFromIns; + traceback[2*k+2 + ij] = 2*k+2; + } + } + } + + ij += NumMatrixTypes; + i1j += NumMatrixTypes; + ij1 += NumMatrixTypes; + i1j1 += NumMatrixTypes; + } + } + + // figure out best terminating cell + float bestProb = LOG_ZERO; + int state = -1; + for (int k = 0; k < NumMatrixTypes; k++){ + float thisProb = viterbi[k + NumMatrixTypes * ((seq1Length+1)*(seq2Length+1) - 1)] + initialDistribution[k]; + if (bestProb < thisProb){ + bestProb = thisProb; + state = k; + } + } + assert (state != -1); + + delete viterbiPtr; + + // compute traceback + SafeVector *alignment = new SafeVector; assert (alignment); + int r = seq1Length, c = seq2Length; + while (r != 0 || c != 0){ + int newState = traceback[state + NumMatrixTypes * (r * (seq2Length+1) + c)]; + + if (state == 0){ c--; r--; alignment->push_back ('B'); } + else if (state % 2 == 1){ r--; alignment->push_back ('X'); } + else { c--; alignment->push_back ('Y'); } + + state = newState; + } + + delete tracebackPtr; + + reverse (alignment->begin(), alignment->end()); + + return make_pair(alignment, bestProb); + } + + ///////////////////////////////////////////////////////////////// + // ProbabilisticModel::BuildPosterior() + // + // Builds a posterior probability matrix needed to align a pair + // of alignments. Mathematically, the returned matrix M is + // defined as follows: + // M[i,j] = sum sum f(s,t,i,j) + // s in align1 t in align2 + // where + // [ P(s[i'] <--> t[j']) + // [ if s[i'] is a letter in the ith column of align1 and + // [ t[j'] it a letter in the jth column of align2 + // f(s,t,i,j) = [ + // [ 0 otherwise + // + ///////////////////////////////////////////////////////////////// + + VF *BuildPosterior (MultiSequence *align1, MultiSequence *align2, + const SafeVector > &sparseMatrices, + float cutoff = 0.0f) const { + const int seq1Length = align1->GetSequence(0)->GetLength(); + const int seq2Length = align2->GetSequence(0)->GetLength(); + + VF *posteriorPtr = new VF((seq1Length+1) * (seq2Length+1), 0); assert (posteriorPtr); + VF &posterior = *posteriorPtr; + VF::iterator postPtr = posterior.begin(); + + // for each s in align1 + for (int i = 0; i < align1->GetNumSequences(); i++){ + int first = align1->GetSequence(i)->GetLabel(); + SafeVector *mapping1 = align1->GetSequence(i)->GetMapping(); + + // for each t in align2 + for (int j = 0; j < align2->GetNumSequences(); j++){ + int second = align2->GetSequence(j)->GetLabel(); + SafeVector *mapping2 = align2->GetSequence(j)->GetMapping(); + if (first < second){ + + // get the associated sparse matrix + SparseMatrix *matrix = sparseMatrices[first][second]; + + for (int ii = 1; ii <= matrix->GetSeq1Length(); ii++){ + SafeVector::iterator row = matrix->GetRowPtr(ii); + int base = (*mapping1)[ii] * (seq2Length+1); + int rowSize = matrix->GetRowSize(ii); + // add in all relevant values + for (int jj = 0; jj < rowSize; jj++) + posterior[base + (*mapping2)[row[jj].first]] += row[jj].second; + + // subtract cutoff + for (int jj = 0; jj < matrix->GetSeq2Length(); jj++) { + posterior[base + (*mapping2)[jj]] -= cutoff; + } + + } + + } else { + // get the associated sparse matrix + SparseMatrix *matrix = sparseMatrices[second][first]; + + for (int jj = 1; jj <= matrix->GetSeq1Length(); jj++){ + SafeVector::iterator row = matrix->GetRowPtr(jj); + int base = (*mapping2)[jj]; + int rowSize = matrix->GetRowSize(jj); + + // add in all relevant values + for (int ii = 0; ii < rowSize; ii++) + posterior[base + (*mapping1)[row[ii].first] * (seq2Length + 1)] += row[ii].second; + + // subtract cutoff + for (int ii = 0; ii < matrix->GetSeq2Length(); ii++) + posterior[base + (*mapping1)[ii] * (seq2Length + 1)] -= cutoff; + } + + } + + + delete mapping2; + } + + delete mapping1; + } + + return posteriorPtr; + } +}; +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ProjectPairwise.cc b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ProjectPairwise.cc new file mode 100644 index 0000000..4696ba1 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ProjectPairwise.cc @@ -0,0 +1,71 @@ +///////////////////////////////////////////////////////////////// +// ProjectPairwise +// +// Program for projecting multiple alignments to all pairwise +// alignments. +///////////////////////////////////////////////////////////////// + +#include "SafeVector.h" +#include "MultiSequence.h" +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +bool compressGaps = true; + +///////////////////////////////////////////////////////////////// +// main() +// +// Main program. +///////////////////////////////////////////////////////////////// + +int main (int argc, char **argv){ + + // check arguments + if (argc < 2){ + cerr << "Usage: project ALIGNMENT [-nocompressgaps]" << endl; + exit (1); + } + + for (int i = 2; i < argc; i++){ + if (strcmp (argv[i], "-nocompressgaps") == 0) + compressGaps = false; + else { + cerr << "Unrecognized option: " << argv[i] << endl; + exit (1); + } + } + + MultiSequence *align = new MultiSequence (string (argv[1])); assert (align); + + int N = align->GetNumSequences(); + for (int i = 0; i < N; i++){ + for (int j = i+1; j < N; j++){ + string name = align->GetSequence(i)->GetHeader() + "-" + align->GetSequence(j)->GetHeader() + ".fasta"; + ofstream outfile (name.c_str()); + + if (compressGaps){ + set s; + s.insert (i); s.insert (j); + MultiSequence *proj = align->Project (s); + proj->WriteMFA (outfile); + delete proj; + } + else { + align->GetSequence(i)->WriteMFA (outfile, 60); + align->GetSequence(j)->WriteMFA (outfile, 60); + } + outfile.close(); + } + } + + delete align; +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/README b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/README new file mode 100644 index 0000000..57087e1 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/README @@ -0,0 +1,107 @@ + + PROBCONS + ~~~~~~~~ + + Probabilistic consistency-based multiple sequence alignment + +----------------------------------------------------------------- + +PROBCONS is a novel tool for generating multiple alignments +of protein sequences. Using a combination of probabilistic +modeling and consistency-based alignment techniques, PROBCONS +has achieved the highest accuracy of all alignment methods to +date. + +PROBCONS was developed by Chuong B. Do in collaboration with +Michael Brudno in the research group of Serafim Batzoglou, +Department of Computer Science, Stanford University. + +For more information on the algorithms, please see + + Do, C.B., Brudno, M., and Batzoglou, S. (2004) PROBCONS: + Probabilistic Consistency-based Multiple Alignment of + Amino Acid Sequences. 12th International Conference on + Intelligent Systems for Molecular Biology. In press. + +and + + Do, C.B., Brudno, M., and Batzoglou, S. (2004) PROBCONS: + Probabilistic Consistency-based Multiple Alignment of + Amino Acid Sequences. The 19th National Conference on + Artificial Intelligence (AAAI-04). In press. + +----------------------------------------------------------------- + +PROBCONS has been made freely available as PUBLIC DOMAIN +software and hence is not subject to copyright in the United +States. This system and/or any portion of the source code +may be used, modified, or redistributed without restrictions. +PROBCONS is distributed WITHOUT WARRANTY, express or implied. +The authors accept NO LEGAL LIABILITY OR RESPONSIBILITY for +loss due to reliance on the program. + +----------------------------------------------------------------- + +Version History + +1.0, 3/23/2004 (Chuong Do) + -- initial release + +1.01, 3/25/2004 (Chuong Do) + -- fixed error in training procedure + -- retrained default parameters for 1 and 2 pairs of insert + states + +1.02, 4/17/2004 (Chuong Do) + -- replaced LOG_ADD and EXP routines + -- added support for reading MSF format files + -- added two extra utilities for scoring PROBCONS alignments + (for benchmarking purposes) + -- added the "compare" program for scoring alignments + according to a reference alignment with respect to + sum-of-pairs and column scores + -- added the "fixref" program for adjusting PREFAB + alignments to contain all letters of the input + sequences; basically the main program for PROBCONS + "hacked" to get the job done + +1.03, 5/3/2004 (Chuong Do) + -- added option to do all-pairs pairwise alignments instead + of constructing a full multiple alignment + -- added support for reading DIALIGN style files + -- enabled support for using BAliBASE annotations for scoring + BAliBASE alignments + -- several minor bug fixes thanks to Bob Edgar + -- added "project" program to project multiple alignment to + pairwise alignments + +1.04, 5/9/2004 (Chuong Do) + -- switched over to default of one-insert state pair + -- retrained default parameters + -- added annotation scores + -- small changes to model topology to make end gaps symmetrical + -- added makegnuplot utility to plot annotation scores + +1.05, 5/26/2004 (Chuong Do) + -- added cutoff filtering for posterior scores + -- made small corrections to recurrences for computing alignments + -- added CLUSTALW output support + +1.06, 7/13/2004 (Chuong Do) + -- ProbCons is now PUBLIC DOMAIN software. + +1.07, 8/30/2004 (Chuong Do) + -- Fixed CLUSTALW output for sequence names (thanks to John Calley + for pointing this out) + +1.08, 8/31/2004 (Chuong Do) + -- Added option for alignment order output (-a). + +1.09, 9/1/2004 (Chuong Do) + -- PROBCONS now allows input files with existing gaps -- these are + automatically stripped before alignment. + +1.10, 3/16/2005 (Chuong Do) + -- Reduced memory consumption by + -- not storing posterior matrix transposes + -- restricting consistency-derived posterior matrices to original posterior matrix diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/SafeVector.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/SafeVector.h new file mode 100644 index 0000000..7220316 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/SafeVector.h @@ -0,0 +1,56 @@ +///////////////////////////////////////////////////////////////// +// SafeVector.h +// +// STL vector with array bounds checking. To enable bounds +// checking, #define ENABLE_CHECKS. +///////////////////////////////////////////////////////////////// + +#ifndef SAFEVECTOR_H +#define SAFEVECTOR_H + +#include +#include + +///////////////////////////////////////////////////////////////// +// SafeVector +// +// Class derived from the STL std::vector for bounds checking. +///////////////////////////////////////////////////////////////// +namespace MXSCARNA { +template +class SafeVector : public std::vector{ + public: + + // miscellaneous constructors + SafeVector() : std::vector() {} + SafeVector (size_t size) : std::vector(size) {} + SafeVector (size_t size, const TYPE &value) : std::vector(size, value) {} + SafeVector (const SafeVector &source) : std::vector(source) {} + +#ifdef ENABLE_CHECKS + + // [] array bounds checking + TYPE &operator[](int index){ + assert (index >= 0 && index < (int) size()); + return std::vector::operator[] ((size_t) index); + } + + // [] const array bounds checking + const TYPE &operator[] (int index) const { + assert (index >= 0 && index < (int) size()); + return std::vector::operator[] ((size_t) index) ; + } + +#endif + +}; + +// some commonly used vector types +typedef SafeVector VI; +typedef SafeVector VVI; +typedef SafeVector VVVI; +typedef SafeVector VF; +typedef SafeVector VVF; +typedef SafeVector VVVF; +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ScoreType.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ScoreType.h new file mode 100644 index 0000000..186d3fd --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/ScoreType.h @@ -0,0 +1,340 @@ +///////////////////////////////////////////////////////////////// +// ScoreType.h +// +// Routines for doing math operations in PROBCONS. +///////////////////////////////////////////////////////////////// + +#ifndef SCORETYPE_H +#define SCORETYPE_H + +#include +#include +#include + +typedef float ScoreType; + +const float LOG_ZERO = -2e20; +const float LOG_ONE = 0.0; + +///////////////////////////////////////////////////////////////// +// LOG() +// +// Compute the logarithm of x. +///////////////////////////////////////////////////////////////// + +inline ScoreType LOG (ScoreType x){ + return log (x); +} + +///////////////////////////////////////////////////////////////// +// EXP() +// +// Computes exp(x). +///////////////////////////////////////////////////////////////// + +inline ScoreType EXP (ScoreType x){ + //return exp(x); + if (x > -2){ + if (x > -0.5){ + if (x > 0) + return exp(x); + return (((0.03254409303190190000*x + 0.16280432765779600000)*x + 0.49929760485974900000)*x + 0.99995149601363700000)*x + 0.99999925508501600000; + } + if (x > -1) + return (((0.01973899026052090000*x + 0.13822379685007000000)*x + 0.48056651562365000000)*x + 0.99326940370383500000)*x + 0.99906756856399500000; + return (((0.00940528203591384000*x + 0.09414963667859410000)*x + 0.40825793595877300000)*x + 0.93933625499130400000)*x + 0.98369508190545300000; + } + if (x > -8){ + if (x > -4) + return (((0.00217245711583303000*x + 0.03484829428350620000)*x + 0.22118199801337800000)*x + 0.67049462206469500000)*x + 0.83556950223398500000; + return (((0.00012398771025456900*x + 0.00349155785951272000)*x + 0.03727721426017900000)*x + 0.17974997741536900000)*x + 0.33249299994217400000; + } + if (x > -16) + return (((0.00000051741713416603*x + 0.00002721456879608080)*x + 0.00053418601865636800)*x + 0.00464101989351936000)*x + 0.01507447981459420000; + return 0; +} + +/* +///////////////////////////////////////////////////////////////// +// LOOKUP() +// +// Computes log (exp (x) + 1), for 0 <= x <= 7.5. +///////////////////////////////////////////////////////////////// + +inline ScoreType LOOKUP (ScoreType x){ + //return log (exp(x) + 1); + if (x < 2){ + if (x < 0.5){ + if (x < 0) + return log (exp(x) + 1); + return (((-0.00486373205785640000*x - 0.00020245408813934800)*x + 0.12504222666029800000)*x + 0.49999685320563000000)*x + 0.69314723138948900000; + } + if (x < 1) + return (((-0.00278634205460548000*x - 0.00458097251248546000)*x + 0.12865849880472500000)*x + 0.49862228499205200000)*x + 0.69334810088688000000; + return (((0.00059633755154209200*x - 0.01918996666063320000)*x + 0.15288232492093800000)*x + 0.48039958825756900000)*x + 0.69857578503189200000; + } + if (x < 8){ + if (x < 4) + return (((0.00135958539181047000*x - 0.02329807659316430000)*x + 0.15885799609532100000)*x + 0.48167498563270800000)*x + 0.69276185058669200000; + return (((0.00011992394456683500*x - 0.00338464503306568000)*x + 0.03622746366545470000)*x + 0.82481250248383700000)*x + 0.32507892994863100000; + } + if (x < 16) + return (((0.00000051726300753785*x - 0.00002720671238876090)*x + 0.00053403733818413500)*x + 0.99536021775747900000)*x + 0.01507065715532010000; + return x; +} + +///////////////////////////////////////////////////////////////// +// LOOKUP_SLOW() +// +// Computes log (exp (x) + 1). +///////////////////////////////////////////////////////////////// + +inline ScoreType LOOKUP_SLOW (ScoreType x){ + return log (exp (x) + 1); +} + +///////////////////////////////////////////////////////////////// +// MAX() +// +// Compute max of three numbers +///////////////////////////////////////////////////////////////// + +inline ScoreType MAX (ScoreType x, ScoreType y, ScoreType z){ + if (x >= y){ + if (x >= z) + return x; + return z; + } + if (y >= z) + return y; + return z; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS (ScoreType &x, ScoreType y){ + if (x < y) + x = (x <= LOG_ZERO) ? y : LOOKUP(y-x) + x; + else + x = (y <= LOG_ZERO) ? x : LOOKUP(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS_SLOW() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS_SLOW (ScoreType &x, ScoreType y){ + if (x < y) + x = (x <= LOG_ZERO) ? y : LOOKUP_SLOW(y-x) + x; + else + x = (y <= LOG_ZERO) ? x : LOOKUP_SLOW(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add two log probabilities +///////////////////////////////////////////////////////////////// + +inline ScoreType LOG_ADD (ScoreType x, ScoreType y){ + if (x < y) return (x <= LOG_ZERO) ? y : LOOKUP(y-x) + x; + return (y <= LOG_ZERO) ? x : LOOKUP(x-y) + y; +} +*/ + +/* +///////////////////////////////////////////////////////////////// +// LOG() +// +// Compute the logarithm of x. +///////////////////////////////////////////////////////////////// + +inline float LOG (float x){ + return log (x); +} + +///////////////////////////////////////////////////////////////// +// EXP() +// +// Computes exp(x), fr -4.6 <= x <= 0. +///////////////////////////////////////////////////////////////// + +inline float EXP (float x){ + assert (x <= 0.00f); + if (x < EXP_UNDERFLOW_THRESHOLD) return 0.0f; + return (((0.006349841068584 * x + 0.080775412572352) * x + 0.397982026296272) * x + 0.95279335963787f) * x + 0.995176455837312f; + //return (((0.00681169825657f * x + 0.08386267698832f) * x + 0.40413983195844f) * x + 0.95656674979767f) * x + 0.99556744049130f; +} +*/ + +const float EXP_UNDERFLOW_THRESHOLD = -4.6; +const float LOG_UNDERFLOW_THRESHOLD = 7.5; + +///////////////////////////////////////////////////////////////// +// LOOKUP() +// +// Computes log (exp (x) + 1), for 0 <= x <= 7.5. +///////////////////////////////////////////////////////////////// + +inline float LOOKUP (float x){ + assert (x >= 0.00f); + assert (x <= LOG_UNDERFLOW_THRESHOLD); + //return ((-0.00653779113685f * x + 0.09537236626558f) * x + 0.55317574459331f) * x + 0.68672959851568f; + if (x <= 1.00f) return ((-0.009350833524763f * x + 0.130659527668286f) * x + 0.498799810682272f) * x + 0.693203116424741f; + if (x <= 2.50f) return ((-0.014532321752540f * x + 0.139942324101744f) * x + 0.495635523139337f) * x + 0.692140569840976f; + if (x <= 4.50f) return ((-0.004605031767994f * x + 0.063427417320019f) * x + 0.695956496475118f) * x + 0.514272634594009f; + assert (x <= LOG_UNDERFLOW_THRESHOLD); + return ((-0.000458661602210f * x + 0.009695946122598f) * x + 0.930734667215156f) * x + 0.168037164329057f; + + //return (((0.00089738532761f * x - 0.01859488697982f) * x + 0.14415772028626f) * x + 0.49515490689159f) * x + 0.69311928966454f; +} + +///////////////////////////////////////////////////////////////// +// LOOKUP_SLOW() +// +// Computes log (exp (x) + 1). +///////////////////////////////////////////////////////////////// + +inline float LOOKUP_SLOW (float x){ + return log (exp (x) + 1); +} + +///////////////////////////////////////////////////////////////// +// MAX() +// +// Compute max of three numbers +///////////////////////////////////////////////////////////////// + +inline float MAX (float x, float y, float z){ + if (x >= y){ + if (x >= z) + return x; + return z; + } + if (y >= z) + return y; + return z; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS (float &x, float y){ + if (x < y) + x = (x == LOG_ZERO || y - x >= LOG_UNDERFLOW_THRESHOLD) ? y : LOOKUP(y-x) + x; + else + x = (y == LOG_ZERO || x - y >= LOG_UNDERFLOW_THRESHOLD) ? x : LOOKUP(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_PLUS_EQUALS_SLOW() +// +// Add two log probabilities and store in the first argument +///////////////////////////////////////////////////////////////// + +inline void LOG_PLUS_EQUALS_SLOW (float &x, float y){ + if (x < y) + x = (x == LOG_ZERO) ? y : LOOKUP_SLOW(y-x) + x; + else + x = (y == LOG_ZERO) ? x : LOOKUP_SLOW(x-y) + y; +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add two log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x, float y){ + if (x < y) return (x == LOG_ZERO || y - x >= LOG_UNDERFLOW_THRESHOLD) ? y : LOOKUP(y-x) + x; + return (y == LOG_ZERO || x - y >= LOG_UNDERFLOW_THRESHOLD) ? x : LOOKUP(x-y) + y; +} + + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add three log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3){ + return LOG_ADD (x1, LOG_ADD (x2, x3)); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add four log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, x4))); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add five log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4, float x5){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, LOG_ADD (x4, x5)))); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add siz log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4, float x5, float x6){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, LOG_ADD (x4, LOG_ADD (x5, x6))))); +} + +///////////////////////////////////////////////////////////////// +// LOG_ADD() +// +// Add seven log probabilities +///////////////////////////////////////////////////////////////// + +inline float LOG_ADD (float x1, float x2, float x3, float x4, float x5, float x6, float x7){ + return LOG_ADD (x1, LOG_ADD (x2, LOG_ADD (x3, LOG_ADD (x4, LOG_ADD (x5, LOG_ADD (x6, x7)))))); +} + +///////////////////////////////////////////////////////////////// +// ChooseBestOfThree() +// +// Store the largest of three values x1, x2, and x3 in *x. Also +// if xi is the largest value, then store bi in *b. +///////////////////////////////////////////////////////////////// + +inline void ChooseBestOfThree (float x1, float x2, float x3, char b1, char b2, char b3, float *x, char *b){ + if (x1 >= x2){ + if (x1 >= x3){ + *x = x1; + *b = b1; + return; + } + *x = x3; + *b = b3; + return; + } + if (x2 >= x3){ + *x = x2; + *b = b2; + return; + } + *x = x3; + *b = b3; +} + +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Sequence.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Sequence.h new file mode 100644 index 0000000..ffc6ead --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/Sequence.h @@ -0,0 +1,515 @@ +///////////////////////////////////////////////////////////////// +// Sequence.h +// +// Class for reading/manipulating single sequence character data. +///////////////////////////////////////////////////////////////// + +#ifndef __SEQUENCE_H__ +#define __SEQUENCE_H__ + +#include +#include +#include +#include +#include +#include "SafeVector.h" +#include "FileBuffer.h" + +///////////////////////////////////////////////////////////////// +// Sequence +// +// Class for storing sequence information. +///////////////////////////////////////////////////////////////// +namespace MXSCARNA { +class Sequence { + + bool isValid; // a boolean indicating whether the sequence data is valid or not + string header; // string containing the comment line of the FASTA file + SafeVector *data; // pointer to character data + int length; // length of the sequence + int sequenceLabel; // integer sequence label, typically to indicate the ordering of sequences + // in a Multi-FASTA file + int inputLabel; // position of sequence in original input + float weight; + + ///////////////////////////////////////////////////////////////// + // Sequence::Sequence() + // + // Default constructor. Does nothing. + ///////////////////////////////////////////////////////////////// + + Sequence () : isValid (false), header (""), data (NULL), length (0), sequenceLabel (0), inputLabel (0) {} + + public: + + ///////////////////////////////////////////////////////////////// + // Sequence::Sequence() + // + // Constructor. Reads the sequence from a FileBuffer. + ///////////////////////////////////////////////////////////////// + + Sequence (FileBuffer &infile, bool stripGaps = false) : isValid (false), header ("~"), data (NULL), length(0), sequenceLabel (0), inputLabel (0) { + + // read until the first non-blank line + while (!infile.eof()){ + infile.GetLine (header); + if (header.length() != 0) break; + } + + // check to make sure that it is a correct header line + if (header[0] == '>'){ + + // if so, remove the leading ">" + header = header.substr (1); + + // remove any leading or trailing white space in the header comment + while (header.length() > 0 && isspace (header[0])) header = header.substr (1); + while (header.length() > 0 && isspace (header[header.length() - 1])) header = header.substr(0, header.length() - 1); + + // get ready to read the data[] array; note that data[0] is always '@' + char ch; + data = new SafeVector; assert (data); + data->push_back ('@'); + + // get a character from the file + while (infile.Get(ch)){ + + // if we've reached a new comment line, put the character back and stop + if (ch == '>'){ infile.UnGet(); break; } + + // skip whitespace + if (isspace (ch)) continue; + + // substitute gap character + if (ch == '.') ch = '-'; + if (stripGaps && ch == '-') continue; + + // check for known characters + if (!((ch >= 'A' && ch <= 'Z') || (ch >= 'a' && ch <= 'z') || ch == '*' || ch == '-')){ + cerr << "ERROR: Unknown character encountered: " << ch << endl; + exit (1); + } + + // everything's ok so far, so just store this character. + data->push_back(ch); + ++length; + } + + // sequence must contain data in order to be valid + isValid = length > 0; + if (!isValid){ + delete data; + data = NULL; + } + } + } + + + ///////////////////////////////////////////////////////////////// + // Sequence::Sequence() + // + // Constructor. Builds a sequence from existing data. Note + // that the data must use one-based indexing where data[0] should + // be set to '@'. + ///////////////////////////////////////////////////////////////// + + Sequence (SafeVector *data, string header, int length, int sequenceLabel, int inputLabel) : + isValid (data != NULL), header(header), data(data), length (length), sequenceLabel (sequenceLabel), inputLabel (inputLabel) { + assert (data); + assert ((*data)[0] == '@'); + } + + ///////////////////////////////////////////////////////////////// + // Sequence::Sequence() + // + // Destructor. Release allocated memory. + ///////////////////////////////////////////////////////////////// + + ~Sequence (){ + if (data){ + assert (isValid); + delete data; + data = NULL; + isValid = false; + } + } + + void SetWeight(float myWeight) { + weight = myWeight; + } + float GetWeight() const { + return weight; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetHeader() + // + // Return the string comment associated with this sequence. + ///////////////////////////////////////////////////////////////// + + string GetHeader () const { + return header; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetName() + // + // Return the first word of the string comment associated with this sequence. + ///////////////////////////////////////////////////////////////// + + string GetName () const { + char name[1024]; + sscanf (header.c_str(), "%s", name); + return string(name); + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetDataPtr() + // + // Return the iterator to data associated with this sequence. + ///////////////////////////////////////////////////////////////// + + SafeVector::iterator GetDataPtr(){ + assert (isValid); + assert (data); + return data->begin(); + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetPosition() + // + // Return the character at position i. Recall that the character + // data is stored with one-based indexing. + ///////////////////////////////////////////////////////////////// + + char GetPosition (int i) const { + assert (isValid); + assert (data); + assert (i >= 0 && i <= length); + return (*data)[i]; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::SetLabel() + // + // Sets the sequence label to i. + ///////////////////////////////////////////////////////////////// + + void SetLabel (int i){ + assert (isValid); + sequenceLabel = i; + inputLabel = i; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::SetSortLabel() + // + // Sets the sequence sorting label to i. + ///////////////////////////////////////////////////////////////// + + void SetSortLabel (int i){ + assert (isValid); + sequenceLabel = i; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetLabel() + // + // Retrieves the input label. + ///////////////////////////////////////////////////////////////// + + int GetLabel () const { + assert (isValid); + return inputLabel; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetSortLabel() + // + // Retrieves the sorting label. + ///////////////////////////////////////////////////////////////// + + int GetSortLabel () const { + assert (isValid); + return sequenceLabel; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::Fail() + // + // Checks to see if the sequence successfully loaded. + ///////////////////////////////////////////////////////////////// + + bool Fail () const { + return !isValid; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::Length() + // + // Returns the length of the sequence. + ///////////////////////////////////////////////////////////////// + + int GetLength () const { + assert (isValid); + assert (data); + return length; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::WriteMFA() + // + // Writes the sequence to outfile in MFA format. Uses numColumns + // columns per line. If useIndex is set to false, then the + // header is printed as normal, but if useIndex is true, then + // ">S###" is printed where ### represents the sequence label. + ///////////////////////////////////////////////////////////////// + + void WriteMFA (ostream &outfile, int numColumns, bool useIndex = false) const { + assert (isValid); + assert (data); + assert (!outfile.fail()); + + // print out heading + if (useIndex) + outfile << ">S" << GetLabel() << endl; + else + outfile << ">" << header << endl; + + // print out character data + int ct = 1; + for (; ct <= length; ct++){ + outfile << (*data)[ct]; + if (ct % numColumns == 0) outfile << endl; + } + if ((ct-1) % numColumns != 0) outfile << endl; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::WriteWEB() + // + // output for web interfase based on Sequence::WriteMFA() + ///////////////////////////////////////////////////////////////// + + void WriteWEB (ostream &outfile, int numColumns, bool useIndex = false) const { + assert (isValid); + assert (data); + assert (!outfile.fail()); + + outfile << "" << endl; + outfile << "" << endl; + // print out heading + if (useIndex) + outfile << "S" << GetLabel() << endl; + else + outfile << "" << header << endl; + + outfile << "" << endl; + + // print out character data + outfile << "" << endl; + int ct = 1; + for (; ct <= length; ct++){ + outfile << (*data)[ct]; + if (ct % numColumns == 0) outfile << endl; + } + if ((ct-1) % numColumns != 0) outfile << endl; + + outfile << "" << endl; + outfile << "" << endl; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::Clone() + // + // Returns a new deep copy of the seqeuence. + ///////////////////////////////////////////////////////////////// + + Sequence *Clone () const { + Sequence *ret = new Sequence(); + assert (ret); + + ret->isValid = isValid; + ret->header = header; + ret->data = new SafeVector; assert (ret->data); + *(ret->data) = *data; + ret->length = length; + ret->sequenceLabel = sequenceLabel; + ret->inputLabel = inputLabel; + ret->weight = weight; + + return ret; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetRange() + // + // Returns a new sequence object consisting of a range of + // characters from the current seuquence. + ///////////////////////////////////////////////////////////////// + + Sequence *GetRange (int start, int end) const { + Sequence *ret = new Sequence(); + assert (ret); + + assert (start >= 1 && start <= length); + assert (end >= 1 && end <= length); + assert (start <= end); + + ret->isValid = isValid; + ret->header = header; + ret->data = new SafeVector; assert (ret->data); + ret->data->push_back ('@'); + for (int i = start; i <= end; i++) + ret->data->push_back ((*data)[i]); + ret->length = end - start + 1; + ret->sequenceLabel = sequenceLabel; + ret->inputLabel = inputLabel; + + return ret; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::AddGaps() + // + // Given an SafeVector containing the skeleton for an + // alignment and the identity of the current character, this + // routine will create a new sequence with all necesssary gaps added. + // For instance, + // alignment = "XXXBBYYYBBYYXX" + // id = 'X' + // will perform the transformation + // "ATGCAGTCA" --> "ATGCC---GT--CA" + // (XXXBBYYYBBYYXX) + ///////////////////////////////////////////////////////////////// + + Sequence *AddGaps (SafeVector *alignment, char id){ + Sequence *ret = new Sequence(); + assert (ret); + + ret->isValid = isValid; + ret->header = header; + ret->data = new SafeVector; assert (ret->data); + ret->length = (int) alignment->size(); + ret->sequenceLabel = sequenceLabel; + ret->inputLabel = inputLabel; + ret->data->push_back ('@'); + + SafeVector::iterator dataIter = data->begin() + 1; + for (SafeVector::iterator iter = alignment->begin(); iter != alignment->end(); ++iter){ + if (*iter == 'B' || *iter == id){ + ret->data->push_back (*dataIter); + ++dataIter; + } + else + ret->data->push_back ('-'); + } + + return ret; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::AddGaps() + // + // Given an SafeVector containing the skeleton for an + // alignment and the identity of the current character, this + // routine will create a new sequence with all necesssary gaps added. + // For instance, + // alignment = "XXXBBYYYBBYYXX" + // id = 'X' + // will perform the transformation + // "ATGCAGTCA" --> "ATGCC---GT--CA" + // (XXXBBYYYBBYYXX) + ///////////////////////////////////////////////////////////////// + Sequence *AddGapsReverse (SafeVector *alignment, char id){ + Sequence *ret = new Sequence(); + assert (ret); + + ret->isValid = isValid; + ret->header = header; + ret->data = new SafeVector; assert (ret->data); + ret->length = (int) alignment->size(); + ret->sequenceLabel = sequenceLabel; + ret->inputLabel = inputLabel; + ret->data->push_back ('@'); + + SafeVector::iterator dataIter = data->begin() + 1; + for (SafeVector::reverse_iterator iter = alignment->rbegin(); iter != alignment->rend(); ++iter){ + if (*iter == 'B' || *iter == id){ + ret->data->push_back (*dataIter); + ++dataIter; + } + else + ret->data->push_back ('-'); + } + + return ret; + } + + + ///////////////////////////////////////////////////////////////// + // Sequence::GetString() + // + // Returns the sequence as a string with gaps removed. + ///////////////////////////////////////////////////////////////// + + string GetString (){ + string s = " "; + for (int i = 1; i <= length; i++){ + if ((*data)[i] != '-') s += (*data)[i]; + } + return s; + } + + + ///////////////////////////////////////////////////////////////// + // Sequence::GetMapping() + // + // Returns a SafeVector containing the indices of every + // character in the sequence. For instance, if the data is + // "ATGCC---GT--CA", the method returns {1,2,3,4,5,9,10,13,14}. + ///////////////////////////////////////////////////////////////// + + SafeVector *GetMapping () const { + SafeVector *ret = new SafeVector(1, 0); + for (int i = 1; i <= length; i++){ + if ((*data)[i] != '-') ret->push_back (i); + } + return ret; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::GetMappingNumber() + // + // Returns a SafeVector containing the indices of every + // character in the sequence. For instance, if the data is + // "ATGCC---GT--CA", the method returns {1,2,3,4,5,0,0,0,6,7,0,0,8,9}. + ///////////////////////////////////////////////////////////////// + SafeVector *GetMappingNumber () const { + SafeVector *ret = new SafeVector(1, 0); + int count = 0; + for(int i = 1; i <= length; i++) { + if((*data)[i] != '-') ret->push_back(++count); + else ret->push_back(0); + } + return ret; + } + + ///////////////////////////////////////////////////////////////// + // Sequence::Highlight() + // + // Changes all positions with score >= cutoff to upper case and + // all positions with score < cutoff to lower case. + ///////////////////////////////////////////////////////////////// + + void Highlight (const SafeVector &scores, const float cutoff){ + for (int i = 1; i <= length; i++){ + if (scores[i-1] >= cutoff) + (*data)[i] = toupper ((*data)[i]); + else + (*data)[i] = tolower ((*data)[i]); + } + } +}; +} +#endif // __SQUENCE_HPP__ diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/SparseMatrix.h b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/SparseMatrix.h new file mode 100644 index 0000000..f722642 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/SparseMatrix.h @@ -0,0 +1,341 @@ +///////////////////////////////////////////////////////////////// +// SparseMatrix.h +// +// Sparse matrix computations +///////////////////////////////////////////////////////////////// + +#ifndef SPARSEMATRIX_H +#define SPARSEMATRIX_H + +#include +#include "SafeVector.h" +#include "nrutil.h" + +using namespace std; + +const float POSTERIOR_CUTOFF = 0.01; // minimum posterior probability + // value that is maintained in the + // sparse matrix representation + +typedef pair PIF; // Sparse matrix entry type + // first --> column + // second --> value + +namespace MXSCARNA { +struct PIF2 { // Sparse matrix entry type + int i; + int j; + float prob; +}; +} + +///////////////////////////////////////////////////////////////// +// SparseMatrix +// +// Class for sparse matrix computations +///////////////////////////////////////////////////////////////// +namespace MXSCARNA { +class SparseMatrix { + + int seq1Length, seq2Length; // dimensions of matrix + VI rowSize; // rowSize[i] = # of cells in row i + SafeVector data; // data values + SafeVector::iterator> rowPtrs; // pointers to the beginning of each row + + public: + SafeVector data2; + ///////////////////////////////////////////////////////////////// + // SparseMatrix::SparseMatrix() + // + // Private constructor.1 + ///////////////////////////////////////////////////////////////// + SparseMatrix() { } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::SparseMatrix() + // + // Constructor. Builds a sparse matrix from a posterior matrix. + // Note that the expected format for the posterior matrix is as + // a (seq1Length+1) x (seq2Length+1) matrix where the 0th row + // and 0th column are ignored (they should contain all zeroes). + ///////////////////////////////////////////////////////////////// + + SparseMatrix (int seq1Length, int seq2Length, const VF &posterior) : + seq1Length (seq1Length), seq2Length (seq2Length) { + + int numCells = 0; + + assert (seq1Length > 0); + assert (seq2Length > 0); + + // calculate memory required; count the number of cells in the + // posterior matrix above the threshold + VF::const_iterator postPtr = posterior.begin(); + for (int i = 0; i <= seq1Length; i++){ + for (int j = 0; j <= seq2Length; j++){ + if (*(postPtr++) >= POSTERIOR_CUTOFF){ + assert (i != 0 && j != 0); + numCells++; + } + } + } + + // allocate memory + data.resize(numCells); + rowSize.resize (seq1Length + 1); rowSize[0] = -1; + rowPtrs.resize (seq1Length + 1); rowPtrs[0] = data.end(); + + // build sparse matrix + postPtr = posterior.begin() + seq2Length + 1; // note that we're skipping the first row here + SafeVector::iterator dataPtr = data.begin(); + for (int i = 1; i <= seq1Length; i++){ + postPtr++; // and skipping the first column of each row + rowPtrs[i] = dataPtr; + for (int j = 1; j <= seq2Length; j++){ + if (*postPtr >= POSTERIOR_CUTOFF){ + dataPtr->first = j; + dataPtr->second = *postPtr; + dataPtr++; + } + postPtr++; + } + rowSize[i] = dataPtr - rowPtrs[i]; + } + } + + ////////////////////////////////////////////////////////////////////////// + // SparseMatrix::SetSparseMatrix() + // + // Constructor. + ////////////////////////////////////////////////////////////////////////// + void SetSparseMatrix(int inseq1Length, int inseq2Length, const Trimat &bppMat, float cutoff = 0.01) { + seq1Length = inseq1Length; + seq2Length = inseq2Length; + + int numCells = 0; + + assert (seq1Length > 0); + assert (seq2Length > 0); + + data.clear(); + rowSize.clear(); + rowPtrs.clear(); + for (int i = 1; i <= seq1Length; i++) { + for (int j = i; j <= seq2Length; j++) { + if (bppMat.ref(i, j) >= cutoff ) { + numCells++; + } + } + } + + // allocate memory + data.resize(numCells); + for (int i = 0; i < numCells; i++) { + data[i].first = 0; + data[i].second = 0; + } + rowSize.resize (seq1Length + 1); rowSize[0] = -1; + rowPtrs.resize (seq1Length + 1); rowPtrs[0] = data.end(); + + SafeVector::iterator dataPtr = data.begin(); + for (int i = 1; i <= seq1Length; i++) { + rowPtrs[i] = dataPtr; + for (int j = i; j <= seq2Length; j++) { + if ( bppMat.ref(i, j) >= cutoff ) { + dataPtr->first = j; + dataPtr->second = bppMat.ref(i, j); + dataPtr++; + } + } + rowSize[i] = dataPtr - rowPtrs[i]; + } + + float tmp; + for(int k = 1; k <= seq1Length; k++) { + for(int m = k, n = k; n <= k + 300 && m >= 1 && n <= seq2Length; m--, n++) { + if ((tmp = GetValue(m, n)) > 0) { + PIF2 p; + p.i = m; + p.j = n; + p.prob = tmp; + data2.push_back(p); + } + } + + for(int m = k, n = k + 1; n <= k + 300 && m >= 1 && n <= seq2Length; m--, n++) { + if ((tmp = GetValue(m, n)) > 0) { + PIF2 p; + p.i = m; + p.j = n; + p.prob = tmp; + data2.push_back(p); + } + } + } + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::GetRowPtr() + // + // Returns the pointer to a particular row in the sparse matrix. + ///////////////////////////////////////////////////////////////// + + SafeVector::iterator GetRowPtr (int row) const { + assert (row >= 1 && row <= seq1Length); + return rowPtrs[row]; + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::GetValue() + // + // Returns value at a particular row, column. + ///////////////////////////////////////////////////////////////// + + float GetValue (int row, int col){ + assert (row >= 1 && row <= seq1Length); + assert (col >= 1 && col <= seq2Length); + for (int i = 0; i < rowSize[row]; i++){ + if (rowPtrs[row][i].first == col) return rowPtrs[row][i].second; + } + return 0; + } + + void SetValue(int row, int col, float value) { + assert (row >= 1 && row <= seq1Length); + assert (col >= 1 && col <= seq2Length); + for (int i = 0; i < rowSize[row]; i++){ + if (rowPtrs[row][i].first == col) rowPtrs[row][i].second = value; + } + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::GetRowSize() + // + // Returns the number of entries in a particular row. + ///////////////////////////////////////////////////////////////// + + int GetRowSize (int row) const { + assert (row >= 1 && row <= seq1Length); + return rowSize[row]; + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::GetSeq1Length() + // + // Returns the first dimension of the matrix. + ///////////////////////////////////////////////////////////////// + + int GetSeq1Length () const { + return seq1Length; + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::GetSeq2Length() + // + // Returns the second dimension of the matrix. + ///////////////////////////////////////////////////////////////// + + int GetSeq2Length () const { + return seq2Length; + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::GetRowPtr + // + // Returns the pointer to a particular row in the sparse matrix. + ///////////////////////////////////////////////////////////////// + + int GetNumCells () const { + return data.size(); + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::Print() + // + // Prints out a sparse matrix. + ///////////////////////////////////////////////////////////////// + + void Print (ostream &outfile) const { + outfile << "Sparse Matrix:" << endl; + for (int i = 1; i <= seq1Length; i++){ + outfile << " " << i << ":"; + for (int j = 0; j < rowSize[i]; j++){ + outfile << " (" << rowPtrs[i][j].first << "," << rowPtrs[i][j].second << ")"; + } + outfile << endl; + } + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::ComputeTranspose() + // + // Returns a new sparse matrix containing the transpose of the + // current matrix. + ///////////////////////////////////////////////////////////////// + + SparseMatrix *ComputeTranspose () const { + + // create a new sparse matrix + SparseMatrix *ret = new SparseMatrix(); + int numCells = data.size(); + + ret->seq1Length = seq2Length; + ret->seq2Length = seq1Length; + + // allocate memory + ret->data.resize (numCells); + ret->rowSize.resize (seq2Length + 1); ret->rowSize[0] = -1; + ret->rowPtrs.resize (seq2Length + 1); ret->rowPtrs[0] = ret->data.end(); + + // compute row sizes + for (int i = 1; i <= seq2Length; i++) ret->rowSize[i] = 0; + for (int i = 0; i < numCells; i++) + ret->rowSize[data[i].first]++; + + // compute row ptrs + for (int i = 1; i <= seq2Length; i++){ + ret->rowPtrs[i] = (i == 1) ? ret->data.begin() : ret->rowPtrs[i-1] + ret->rowSize[i-1]; + } + + // now fill in data + SafeVector::iterator> currPtrs = ret->rowPtrs; + + for (int i = 1; i <= seq1Length; i++){ + SafeVector::iterator row = rowPtrs[i]; + for (int j = 0; j < rowSize[i]; j++){ + currPtrs[row[j].first]->first = i; + currPtrs[row[j].first]->second = row[j].second; + currPtrs[row[j].first]++; + } + } + + return ret; + } + + ///////////////////////////////////////////////////////////////// + // SparseMatrix::GetPosterior() + // + // Return the posterior representation of the sparse matrix. + ///////////////////////////////////////////////////////////////// + + VF *GetPosterior () const { + + // create a new posterior matrix + VF *posteriorPtr = new VF((seq1Length+1) * (seq2Length+1)); assert (posteriorPtr); + VF &posterior = *posteriorPtr; + + // build the posterior matrix + for (int i = 0; i < (seq1Length+1) * (seq2Length+1); i++) posterior[i] = 0; + for (int i = 1; i <= seq1Length; i++){ + VF::iterator postPtr = posterior.begin() + i * (seq2Length+1); + for (int j = 0; j < rowSize[i]; j++){ + postPtr[rowPtrs[i][j].first] = rowPtrs[i][j].second; + } + } + + return posteriorPtr; + } + +}; +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/mlparams0 b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/mlparams0 new file mode 100644 index 0000000..43e501f --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/mlparams0 @@ -0,0 +1,11 @@ +0.96 0.02 0.02 +0.01 0.01 +0.4 0.4 +ACGUTN +0.148724 +0.0184143 0.158392 +0.0361397 0.0275537 0.197932 +0.0238474 0.0389291 0.0244289 0.155748 +0.0238474 0.0389291 0.0244289 0.155748 0.155748 +3.75308e-05 8.15823e-05 8.24765e-05 7.43985e-05 7.43985e-05 2.63252e-05 +0.227079 0.242208 0.283932 0.246468 0.246468 0.000312465 diff --git a/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/train-script b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/train-script new file mode 100644 index 0000000..de909da --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/probconsRNA/train-script @@ -0,0 +1,30 @@ +./probcons -p mlparams0 -t params1 ../bralibase/* +./probcons -p params1 -t params2 ../bralibase/* +./probcons -p params2 -t params3 ../bralibase/* +./probcons -p params3 -t params4 ../bralibase/* +./probcons -p params4 -t params5 ../bralibase/* +./probcons -p params5 -t params6 ../bralibase/* +./probcons -p params6 -t params7 ../bralibase/* +./probcons -p params7 -t params8 ../bralibase/* +./probcons -p params8 -t params9 ../bralibase/* +./probcons -p params9 -t params10 ../bralibase/* +./probcons -p params10 -t params11 ../bralibase/* +./probcons -p params11 -t params12 ../bralibase/* +./probcons -p params12 -t params13 ../bralibase/* +./probcons -p params13 -t params14 ../bralibase/* +./probcons -p params14 -t params15 ../bralibase/* +./probcons -p params15 -t params16 ../bralibase/* +./probcons -p params16 -t params17 ../bralibase/* +./probcons -p params17 -t params18 ../bralibase/* +./probcons -p params18 -t params19 ../bralibase/* +./probcons -p params19 -t params20 ../bralibase/* +./probcons -p params20 -t params21 ../bralibase/* +./probcons -p params21 -t params22 ../bralibase/* +./probcons -p params22 -t params23 ../bralibase/* +./probcons -p params23 -t params24 ../bralibase/* +./probcons -p params24 -t params25 ../bralibase/* +./probcons -p params25 -t params26 ../bralibase/* +./probcons -p params26 -t params27 ../bralibase/* +./probcons -p params27 -t params28 ../bralibase/* +./probcons -p params28 -t params29 ../bralibase/* +./probcons -p params29 -t params30 ../bralibase/* diff --git a/binaries/src/mafft/extensions/mxscarna_src/scarna.hpp b/binaries/src/mafft/extensions/mxscarna_src/scarna.hpp new file mode 100644 index 0000000..ac58548 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/scarna.hpp @@ -0,0 +1,124 @@ + +#ifndef __SCARNA_HPP__ +#define __SCARNA_HPP__ + +#include +using namespace std; + +#define WORDLENGTH 2 /* default word length in stem candidates (SCs) */ + +#define THR 0.01 + +// the parameter trained by maximazing the sps of tRNA +//#define MULTISCORE 9.870619 //multiple score with the constant. +//#define MULTIRIBOSUM 0.452626 //multiple ribosum_score with the constant +//#define MULTIPENALTY 24.263776 //multiple penalty with the constatnt +//#define MULTISTACKING 45.208927 //multiple stacking energy with the constatnt + +/* +#define MULTIRIBOSUM 1 +#define MULTIPENALTY 3.1 +#define MULTISCORE 3.7 +#define MULTISTACKING 0.1 +#define MULTIDELTASCORE 9.4 +#define MULTIDELTASTACKING 8.6 +*/ +/* +#define MULTIRIBOSUM 1 +#define MULTIPENALTY 1.1162 +#define MULTISCORE 0.53299 +#define MULTISTACKING 4.25669 +#define MULTIDELTASCORE 1.17805 +#define MULTIDELTASTACKING 4.2016 +*/ +// new CRF DATA 550 sigma 1 + +#define MULTIRIBOSUM 1 +#define MULTIPENALTY 1.82294 +#define MULTISCORE 0.250631 +#define MULTISTACKING 2.35517 +#define MULTIDELTASCORE 1.1781 +#define MULTIDELTASTACKING 2.45417 + +/* +#define MULTIRIBOSUM 1 +#define MULTIPENALTY 0.478054 +#define MULTISCORE 1.36322 +#define MULTISTACKING 4.96635 +#define MULTIDELTASCORE 1.14239 +#define MULTIDELTASTACKING 7.32992 +*/ +// CRF DATA 900 sigma 1 +/* +#define MULTIRIBOSUM 1 +#define MULTIPENALTY 2.28364 +#define MULTISCORE 0.00945681 +#define MULTISTACKING 2.25357 +#define MULTIDELTASCORE 1.02201 +#define MULTIDELTASTACKING 2.21293 +*/ + +/* +#define RNAMATCHAA 506159 +#define RNAMATCHAT 359916 +#define RNAMATCHAG 451319 +#define RNAMATCHAC 390720 +#define RNAMATCHTT 398658 +#define RNAMATCHTG 377069 +#define RNAMATCHTC 378456 +#define RNAMATCHGG 554695 +#define RNAMATCHGC 419950 +#define RNAMATCHCC 479030 +#define GAPPENALTY 190947 +#define GAPEXTENTIONPENALTY -118817 +*/ +// RIBOSUM +#define RNAMATCHAA 2.22 +#define RNAMATCHAT -1.39 +#define RNAMATCHAG -1.46 +#define RNAMATCHAC -1.86 +#define RNAMATCHTT 1.65 +#define RNAMATCHTG -1.74 +#define RNAMATCHTC -1.05 +#define RNAMATCHGG 1.03 +#define RNAMATCHGC -2.48 +#define RNAMATCHCC 1.16 +//#define GAPPENALTY 9.42 // 3default linear gap penalry in RNA sequence alignment +//#define GAPPENALTY 9.18743 +//#define GAPPENALTY 5.00 +//#define GAPEXTENTIONPENALTY 7.15 +//#define GAPEXTENTIONPENALTY 9.62003 + +#define GAPPENALTY 5 +#define GAPEXTENTIONPENALTY 2.5 +//#define GAPPENALTY 8.08875 +//#define GAPEXTENTIONPENALTY 3.89655 + +#define REFINEMENTREPS 0 +#define SCSLENGTH 2 +#define BASEPROBTHRESHOLD 0.01 +#define BASEPAIRCONST 6 +#define BANDWIDTH 500 +#define USERFOLD false + +extern float RNA_Match_AA; +extern float RNA_Match_AT; +extern float RNA_Match_AG; +extern float RNA_Match_AC; +extern float RNA_Match_TT; +extern float RNA_Match_TG; +extern float RNA_Match_TC; +extern float RNA_Match_GG; +extern float RNA_Match_GC; +extern float RNA_Match_CC; +extern float RNA_Gap_Penalty; +extern float RNA_Gap_Extension; + +extern int numIterativeRefinementReps; +extern bool PostProcessAlignment; +extern int scsLength; +extern float BaseProbThreshold; +extern float BasePairConst; + +#endif /*__SCARNA_HPP__*/ + diff --git a/binaries/src/mafft/extensions/mxscarna_src/seq2scs.cpp b/binaries/src/mafft/extensions/mxscarna_src/seq2scs.cpp new file mode 100644 index 0000000..24d99f7 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/seq2scs.cpp @@ -0,0 +1,620 @@ +/////////////////////////////////////////////////////////////// +// seq2scs.cpp +// +// make SCS(Stem Candidate Sequence) from the profile +////////////////////////////////////////////////////////////// + +#include "scarna.hpp" +#include "SafeVector.h" +#include "StemCandidate.hpp" +#include "Sequence.h" +#include "MultiSequence.h" +#include "BPPMatrix.hpp" +#include "nrutil.h" +#include +#include +#include +#include +#include +#include + +using namespace std; +using namespace::MXSCARNA; + +// for alipfold +/* +#include "utils.h" +#include "fold_vars.h" +#include "fold.h" +#include "part_func.h" +#include "inverse.h" +#include "RNAstruct.h" +#include "treedist.h" +#include "stringdist.h" +#include "profiledist.h" +#include "alifold.h" +#include "aln_util.h" +#include "dist_vars.h" +*/ +double Stacking_Energy[36] ={ + -0.9,-2.1,-1.7,-0.5,-0.9,-1.0, + -1.8,-2.9,-2.0,-1.2,-1.7,-1.9, + -2.3,-3.4,-2.9,-1.4,-2.1,-2.1, + -1.1,-2.1,-1.9,-0.4,-1.0,1.5, + -1.1,-2.3,-1.8,-0.8,-0.9,-1.1, + -0.8,-1.4,-1.2,-0.2,-0.5,-0.4 }; + +static Trimat* makeProfileBPPMatrix(MultiSequence *Sequences, SafeVector &BPPMatrices); +static int countSCS(MultiSequence *Sequences, Trimat* consBppMat, int BandWidth); +static std::vector* makeProfileScs(std::vector *pscs, MultiSequence *Sequences, Trimat* consBppMat, int BandWidth); +static void printScs(std::vector *pscs); +static std::vector* doubleScs(std::vector *pscs); +static std::vector* findRelations(std::vector *pscs); +static std::vector* findCorresponding(std::vector* pscs); +static std::vector* calculateStackingEnergy(std::vector* pscs); + +//float alipf_fold(char **sequences, char *structure, pair_info **pi); + +struct SortCmp { + bool operator()(const StemCandidate &sc1, const StemCandidate &sc2) const { + if (sc1.GetPosition() > sc2.GetPosition()) return false; + else if (sc1.GetPosition() < sc2.GetPosition()) return true; + else if (sc1.GetDistance() > sc2.GetDistance()) return false; + else return true; + } +}; + + +vector* +seq2scs(MultiSequence *Sequences, SafeVector &BPPMatrices, int BandWidth) +{ + + Trimat *consBppMat = makeProfileBPPMatrix(Sequences, BPPMatrices); + + int numberScs = countSCS(Sequences, consBppMat, BandWidth); + + std::vector *pscs = new std::vector(); // Profile Stem Candidate Sequence +// cout << "numberScs=" << numberScs << endl; + pscs->resize(numberScs+1); + + pscs = makeProfileScs(pscs, Sequences, consBppMat, BandWidth); + + pscs = doubleScs(pscs); + + std::vector::iterator startIter = pscs->begin(); + std::vector::iterator endIter = pscs->end(); + ++startIter; + std::sort(startIter, endIter, SortCmp()); + +// printScs(pscs); + pscs = findRelations(pscs); + + pscs = findCorresponding(pscs); + + pscs = calculateStackingEnergy(pscs); + +// findStemRelation() + +// exit(1); + delete consBppMat; + + return pscs; +} + +static Trimat* +makeProfileBPPMatrix(MultiSequence *Sequences, SafeVector &BPPMatrices) +{ + int length = Sequences->GetSequence(0)->GetLength(); +// float thr = BaseProbThreshold; + Trimat *consBppMat = new Trimat(length + 1); + fill(consBppMat->begin(), consBppMat->end(), 0); + +// gabage +// for(int i = 0; i <= length; i++) +// for(int j = i; j <= length; j++) +// cout << "i=" << i << " j=" << j << " " << consBppMat->ref(i,j) << endl; +// consBppMat->ref(i,j) = 0; + + + int number = Sequences->GetNumSequences(); +// if( number == 1) { + for(int seqNum = 0; seqNum < number; seqNum++) { + SafeVector *tmpMap = Sequences->GetSequence(seqNum)->GetMappingNumber(); + int label = Sequences->GetSequence(seqNum)->GetLabel(); + BPPMatrix *tmpBppMatrix = BPPMatrices[label]; + + for(int i = 1; i <= length ; i++) { + int originI = tmpMap->at(i); + for(int j = i + 3; j <= length; j++) { + int originJ = tmpMap->at(j); + if(originI != 0 && originJ != 0) { + float tmpProb = tmpBppMatrix->GetProb(originI, originJ); + +// if(tmpProb >= thr) { + consBppMat->ref(i, j) += tmpProb; +// cout << i << " " << j << " " << consBppMat->ref(i,j) << endl; +// } + } + } + } + } + + /* compute the mean of base pairing probability */ + for(int i = 1; i <= length; i++) { + for(int j = i + 3; j <= length; j++) { + consBppMat->ref(i,j) = consBppMat->ref(i,j)/(float)number; + //consBppMat->ref(i,j) = std::sqrt[number](consBppMat->ref(i,j)); + // cout << i << " " << j << " " << consBppMat->ref(i,j) << endl; + } + } + + +/* + else { + char **Seqs; + Seqs = (char **) malloc(sizeof(char*) * number); + + for(int i = 0; i < number; i++) { + Seqs[i] = (char *) malloc(sizeof(char) * (length + 1)); + for(int j = 1; j <= length; j++) { + Seqs[i][j-1] = Sequences->GetSequence(i)->GetPosition(j); + } + Seqs[i][length] = '\0'; + } + + + char *structure = NULL; + pair_info *pi; + + alipf_fold(Seqs, structure, &pi, number); + + for(int iter = 0; iter < length; iter++) { + if(pi[iter].i == 0) break; + consBppMat->ref(pi[iter].i, pi[iter].j) = pi[iter].p; + } + + for(int i = 0; i < number; i++) { + free (Seqs[i]); + } + free (Seqs); + +// free_alifold_arrays(void); + } +*/ + + return consBppMat; +} + +static int +countSCS(MultiSequence *Sequences, Trimat *consBppMat, int BandWidth) +{ + + int length = Sequences->GetSequence(0)->GetLength(); + int Word_Length = scsLength; + + int i, j, k, s; + int count; + int sum; + + sum = 0; + for(k = 1; k <= length; k++) { + count = 0; + + for(i = k, j = k; i >= 1 && j <= (k + BandWidth - 1) && j <= length; i--, j++) { + if(consBppMat->ref(i, j) >= BaseProbThreshold) { + count++; + } + else if(count >= Word_Length) { + for(s = 0; s <= count - Word_Length; s++) + sum++; + + count = 0; + } + else { + count = 0; + } + if(consBppMat->ref(i, j) >= BaseProbThreshold && count >= Word_Length && (i == 1 || j == length || j == (k + BandWidth - 1))) { + for(s = 0; s <= count - Word_Length; s++) + sum++; + + count = 0; + } + } + + count = 0; + for(i = k, j = k + 1; i >= 1 && j <= (k + BandWidth - 1) && j <= length; i--, j++) { + if(consBppMat->ref(i, j) >= BaseProbThreshold) { + count++; + } + else if(count >= Word_Length) { + for(s = 0; s <= count - Word_Length; s++) sum++; + + count = 0; + } + else { + count = 0; + } + + if(consBppMat->ref(i, j) >= BaseProbThreshold && count >= Word_Length && (i == 1 || j == length || j == (k + BandWidth - 1))) { + for(s = 0; s <= count - Word_Length; s++) sum++; + + count = 0; + } + } + } + + return 2 * sum; +} + +static std::vector* +makeProfileScs(std::vector *pscs, MultiSequence *Sequences, Trimat* consBppMat, int BandWidth) +{ + + int length = Sequences->GetSequence(0)->GetLength(); + int Word_Length = scsLength; + float Thr = BaseProbThreshold; + int i, j, k, s, t, m, n, l; + int count; + int sum; + + sum = 0; + for(k = 1; k <= length; k++) { + count = 0; + for(i = k, j = k; i >= 1 && j <= (k + BandWidth - 1) && j <= length; i--, j++) { + if(consBppMat->ref(i,j) >= Thr) { + count++; + } + else if(count >= Word_Length) { + for(s = 0; s <= count- Word_Length; s++) { + sum++; + pscs->at(sum).SetLength(Word_Length); + pscs->at(sum).SetPosition(i+1+s); + pscs->at(sum).SetRvposition(j-count+(count-Word_Length-s)); + pscs->at(sum).SetDistance((j-count+count-Word_Length-s) - (i+1+s+Word_Length)); + pscs->at(sum).SetNumSeq(Sequences->GetNumSequences()); + pscs->at(sum).SetNumSubstr(Sequences->GetNumSequences()); + pscs->at(sum).SetNumRvstr(Sequences->GetNumSequences()); + for(m = i + 1 + s, n = j - count + (count-Word_Length-s), l = j - 1 - s, t = 0; n < j-s; m++, n++, l--, t++) { + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + Sequence *seq = Sequences->GetSequence(num); +// cout << num << "; " << m << ":" << seq->GetPosition(m) << " " << n << ":" << seq->GetPosition(n) << endl; + pscs->at(sum).AddSubstr(num, seq->GetPosition(m)); + pscs->at(sum).AddRvstr(num, seq->GetPosition(n)); + } + // assert(pr[iindx[m]-l] > Thr); +// cout << "prob=" << consBppMat->ref(m,l) << endl; + pscs->at(sum).AddScore(consBppMat->ref(m,l)); + pscs->at(sum).AddBaseScore(consBppMat->ref(m, l)); + } + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + pscs->at(sum).AddSubstr(num, '\0'); + pscs->at(sum).AddRvstr(num, '\0'); + } + } + count = 0; + } + else { + count = 0; + } + if(consBppMat->ref(i,j) >= Thr && count >= Word_Length && (i == 1 || j == length || j == (k + BandWidth - 1))) { + for(s = 0; s <= count- Word_Length; s++) { + sum++; + pscs->at(sum).SetLength(Word_Length); + pscs->at(sum).SetPosition(i+s); + pscs->at(sum).SetRvposition(j-count+1+(count-Word_Length-s)); + pscs->at(sum).SetDistance((j-count+1+count-Word_Length-s) - (i+s+Word_Length)); + pscs->at(sum).SetNumSeq(Sequences->GetNumSequences()); + pscs->at(sum).SetNumSubstr(Sequences->GetNumSequences()); + pscs->at(sum).SetNumRvstr(Sequences->GetNumSequences()); + for(m = i + s, n = j - count + 1 + (count-Word_Length-s), l = j - s, t = 0; n <= j-s; m++, n++, l--, t++) { + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + Sequence *seq = Sequences->GetSequence(num); + pscs->at(sum).AddSubstr(num, seq->GetPosition(m)); + pscs->at(sum).AddRvstr(num, seq->GetPosition(n)); + } + + pscs->at(sum).AddScore(consBppMat->ref(m,l)); + pscs->at(sum).AddBaseScore(consBppMat->ref(m, l)); + } + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + pscs->at(sum).AddSubstr(num, '\0'); + pscs->at(sum).AddRvstr(num, '\0'); + } + } + count = 0; + } + } + count = 0; + for(i = k, j = k + 1; i >= 1 && j <= (k + BandWidth - 1) && j <= length; i--, j++) { + if(consBppMat->ref(i,j) >= Thr) { + count++; + } + else if(count >= Word_Length) { + for(s = 0; s <= count- Word_Length; s++) { + sum++; + pscs->at(sum).SetLength(Word_Length); + pscs->at(sum).SetPosition(i+1+s); + pscs->at(sum).SetRvposition( j-count+(count-Word_Length-s)); + pscs->at(sum).SetDistance((j-count+count-Word_Length-s) - (i+1+s+Word_Length)); + pscs->at(sum).SetNumSeq(Sequences->GetNumSequences()); + pscs->at(sum).SetNumSubstr(Sequences->GetNumSequences()); + pscs->at(sum).SetNumRvstr(Sequences->GetNumSequences()); + for(m = i + 1 + s, n = j - count + (count-Word_Length-s), l = j - 1 - s, t = 0; n < j-s; m++, n++, l--, t++) { + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + Sequence *seq = Sequences->GetSequence(num); + pscs->at(sum).AddSubstr(num, seq->GetPosition(m)); + pscs->at(sum).AddRvstr(num, seq->GetPosition(n)); + } + + pscs->at(sum).AddScore(consBppMat->ref(m,l)); + pscs->at(sum).AddBaseScore(consBppMat->ref(m, l)); + } + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + pscs->at(sum).AddSubstr(num, '\0'); + pscs->at(sum).AddRvstr(num, '\0'); + } + } + count = 0; + } + else { + count = 0; + } + if(consBppMat->ref(i,j) >= Thr && count >= Word_Length && (i == 1 || j == length || j == (k + BandWidth - 1))) { + for(s = 0; s <= count - Word_Length; s++) { + sum++; + pscs->at(sum).SetLength(Word_Length); + pscs->at(sum).SetPosition(i+s); + pscs->at(sum).SetRvposition(j-count+1+(count-Word_Length-s)); + pscs->at(sum).SetDistance((j-count+1+count-Word_Length-s) - (i+s+Word_Length)); +// pscs->at(sum).SetDistance((j-count+count-Word_Length-s) - (i+1+s+Word_Length)); + pscs->at(sum).SetNumSeq(Sequences->GetNumSequences()); + pscs->at(sum).SetNumSubstr(Sequences->GetNumSequences()); + pscs->at(sum).SetNumRvstr(Sequences->GetNumSequences()); + for(m = i + s, n = j - count + 1 + (count-Word_Length-s), l = j - s, t=0; n <= j-s; m++, n++, l--, t++) { + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + Sequence *seq = Sequences->GetSequence(num); + pscs->at(sum).AddSubstr(num, seq->GetPosition(m)); + pscs->at(sum).AddRvstr(num, seq->GetPosition(n)); + } + + pscs->at(sum).AddScore(consBppMat->ref(m,l)); + pscs->at(sum).AddBaseScore(consBppMat->ref(m, l)); + } + for(int num = 0; num < Sequences->GetNumSequences(); num++) { + pscs->at(sum).AddSubstr(num, '\0'); + pscs->at(sum).AddRvstr(num, '\0'); + } + } + count = 0; + } + } + } + + return pscs; +} + +static std::vector* +doubleScs(std::vector *pscs) +{ + int num = pscs->size()/2; + + for(int i = 1; i <= num; i++) { + int latter = num + i; + //cout << i << " " << latter << endl; + StemCandidate &tmpScs = pscs->at(i); + pscs->at(latter).SetLength(tmpScs.GetLength()); + pscs->at(latter).SetPosition(tmpScs.GetRvposition()); + pscs->at(latter).SetRvposition(tmpScs.GetPosition()); + pscs->at(latter).SetDistance(-tmpScs.GetDistance()); + pscs->at(latter).SetNumSeq(tmpScs.GetNumSeq()); + pscs->at(latter).SetNumSubstr(tmpScs.GetNumSeq()); + pscs->at(latter).SetNumRvstr(tmpScs.GetNumSeq()); + + pscs->at(latter).SetScore(tmpScs.GetScore()); + for(int num = 0; num < tmpScs.GetNumSeq(); num++) { + string tmpSubstr = tmpScs.GetSubstr(num); + string tmpRvstr = tmpScs.GetRvstr(num); + + for(int k = 0; k < tmpScs.GetLength(); k++) { + pscs->at(latter).AddSubstr(num, tmpSubstr[k]); + pscs->at(latter).AddRvstr(num, tmpRvstr[k]); + } + } + for(int k = 0; k < tmpScs.GetLength(); k++) { + pscs->at(latter).AddBaseScore(tmpScs.GetBaseScore(k)); + } + } + return pscs; +} + + +static void +printScs(std::vector *pscs) +{ + int num = pscs->size(); +// std::cout << "size = " << num << endl; + for(int i = 1; i < num; i++) { + StemCandidate &sc = pscs->at(i); + + std::cout << i << "\t" << sc.GetLength() << "\t" << sc.GetPosition() << "\t" << + sc.GetRvposition() << "\t" << sc.GetDistance() << "\t" << sc.GetNumSeq() << + "\t" << sc.GetScore() << "\t" << sc.GetContPos() << "\t" << sc.GetBeforePos() << + "\t" << sc.GetRvscnumber() << "\t" << sc.GetStacking() << "\t" << sc.GetStemStacking() << + "\t" << sc.GetBaseScore(0) << "\t" << sc.GetBaseScore(1) << endl; + cout << "substr:" << endl; + for(int k = 0; k < sc.GetNumSeq(); k++) { + cout << k << "\t" << sc.GetSubstr(k) << "\t" << sc.GetRvstr(k) << "\t" << endl; + } + + } + +} + +static std::vector* +findRelations(std::vector *pscs) +{ + int num = pscs->size(); + + for(int i = 1; i < num; i++) { + int pt = i-1; + StemCandidate &sc = pscs->at(i); + sc.SetContPos(-1); + while(sc.GetPosition() == pscs->at(pt).GetPosition()) { pt--; } + + while((sc.GetPosition() == pscs->at(pt).GetPosition() + 1) && (pt > 0)) { + if(sc.GetRvposition() == pscs->at(pt).GetRvposition() - 1) { + sc.SetContPos(pt); + break; + } + --pt; + } + while((sc.GetPosition() < pscs->at(pt).GetPosition() + pscs->at(pt).GetLength())&&(pt > 0)) { pt--; } + sc.SetBeforePos(pt); + } + + return pscs; +} + +static std::vector* +findCorresponding(std::vector* pscs) +{ + int num = pscs->size(); + + for(int i = 1; i < num; i++) { pscs->at(i).SetRvscnumber(0); } + + for(int i = 1; i < num; i++) { + if(pscs->at(i).GetDistance() > 0) { + for(int j = i + 1; j < num; j++) { + if ( (pscs->at(j).GetPosition() == pscs->at(i).GetRvposition()) + && (pscs->at(i).GetPosition() == pscs->at(j).GetRvposition()) ) { + pscs->at(i).SetRvscnumber(j); + pscs->at(j).SetRvscnumber(i); + break; + } + } + } + if(pscs->at(i).GetRvscnumber() == 0) { + std::cerr << "error in findCorresponding" << " i=" << i << endl; +// exit(1); + } + } + + return pscs; +} + +static std::vector* +calculateStackingEnergy(std::vector* pscs) +{ + int num = pscs->size(); + int wordLength = scsLength; + + for(int i = 1; i < num; i++) { + StemCandidate &scI = pscs->at(i); + int j = pscs->at(i).GetContPos(); + + if(j > 0) { + + StemCandidate &scJ = pscs->at(j); + float stacking = 0; + int profNum = scJ.GetNumSeq(); + for(int k = 0; k < profNum; k++) { + string substr = scJ.GetSubstr(k); + string rvstr = scJ.GetRvstr(k); + int index = 0; + switch(substr[wordLength - 1]) { + case 'A': if( rvstr[0]=='U' ) {index += 0;} + else{ index = -1000; } + break; + case 'C': if( rvstr[0]=='G' ) {index += 6;} + else{ index = -1000; } + break; + case 'G': if( rvstr[0]=='C'){index += 12;} + else if(rvstr[0]=='U'){index += 18;} + else{ index = -1000; } + break; + case 'U': if( rvstr[0]=='A'){index += 24;} + else if(rvstr[0]=='G'){index += 30;} + else{ index = - 1000; } + break; + } + substr = scI.GetSubstr(k); + rvstr = scI.GetRvstr(k); + switch(substr[wordLength - 1]){ + case 'A': if( rvstr[0]=='U'){index += 0;} + else{ index = -1000; } + break; + case 'C': if( rvstr[0]=='G'){index += 1;} + else{ index = -1000; } + break; + case 'G': if( rvstr[0]=='C'){index += 2;} + else if(rvstr[0]=='U'){index += 3;} + else{ index = -1000; } + break; + case 'U': if( rvstr[0]=='A'){index += 4;} + else if(rvstr[0]=='G'){index += 5;} + else{ index = -1000; } + break; + } + if(index > 0) { + stacking += Stacking_Energy[index]; + } + } + scI.SetStacking(stacking/(float)profNum); + } + else { + scI.SetStacking(1000); + } + } + + for(int i = 1; i < num; i++) { + StemCandidate &sc = pscs->at(i); + float stemStacking = 0; + int profNum = sc.GetNumSeq(); + for(int k = 0; k < profNum; k++) { + string substr = sc.GetSubstr(k); + string rvstr = sc.GetRvstr(k); + for(int j = 0; j < wordLength-1; j++) { + int index = 0; + + switch(substr[j]) { + case 'A': if( rvstr[wordLength-1-j]=='U'){index += 0;} + else{ index = -1000; } + break; + case 'C': if( rvstr[wordLength-1-j]=='G'){index += 6;} + else{ index = -1000; } + break; + case 'G': if( rvstr[wordLength-1-j]=='C'){index += 12;} + else if(rvstr[wordLength-1-j]=='U'){index += 18;} + else{ index = -1000; } + break; + case 'U': if( rvstr[wordLength-1-j]=='A'){index += 24;} + else if(rvstr[wordLength-1-j]=='G'){index += 30;} + else{ index = -1000; } + break; + } + switch(substr[j+1]){ + case 'A': if( rvstr[wordLength-1-(j+1)]=='U'){index += 0;} + else{ index = -1000; } + break; + case 'C': if( rvstr[wordLength-1-(j+1)]=='G'){index += 1;} + else{ index = -1000; } + break; + case 'G': if( rvstr[wordLength-1-(j+1)]=='C'){index += 2;} + else if(rvstr[wordLength-1-(j+1)]=='U'){index += 3;} + else{ index = -1000; } + break; + case 'U': if( rvstr[wordLength-1-(j+1)]=='A'){index += 4;} + else if(rvstr[wordLength-1-(j+1)]=='G'){index += 5;} + else{ index = -1000; } + break; + } + if(index > 0) { + stemStacking += Stacking_Energy[index]; + } + } + sc.SetStemStacking(stemStacking/(float)profNum); + } + } + return pscs; +} + diff --git a/binaries/src/mafft/extensions/mxscarna_src/vienna/COPYING b/binaries/src/mafft/extensions/mxscarna_src/vienna/COPYING new file mode 100644 index 0000000..42607ac --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/vienna/COPYING @@ -0,0 +1,15 @@ + Disclaimer and Copyright + +The programs, library and source code of the Vienna RNA Package are free +software. They are distributed in the hope that they will be useful +but WITHOUT ANY WARRANTY; without even the implied warranty of +MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. + +Permission is granted for research, educational, and commercial use +and modification so long as 1) the package and any derived works are not +redistributed for any fee, other than media costs, 2) proper credit is +given to the authors and the Institute for Theoretical Chemistry of the +University of Vienna. + +If you want to include this software in a commercial product, please contact +the authors. \ No newline at end of file diff --git a/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_const.h b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_const.h new file mode 100644 index 0000000..04892da --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_const.h @@ -0,0 +1,23 @@ +/* + + energy constants, formerly defined in + energy_par.h + + customized for use with RNAedit by + S.Kopp, IMB-Jena, Germany, Mar 1996 + +*/ + +#ifndef _ENERGY_CONST_H +#define _ENERGY_CONST_H 1 + +#define GASCONST 1.98717 /* in [cal/K] */ +#define K0 273.15 +#define INF 1000000 +#define FORBIDDEN 9999 +#define BONUS 10000 +#define NBPAIRS 7 +#define TURN 3 +#define MAXLOOP 30 + +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_par.h b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_par.h new file mode 100644 index 0000000..48b2737 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_par.h @@ -0,0 +1,61 @@ +/* + prototypes for energy_par.c +*/ + +#include "energy_const.h" +namespace MXSCARNA { +extern double lxc37; /* parameter for logarithmic loop + energy extrapolation */ + +extern int stack37[NBPAIRS+1][NBPAIRS+1]; +extern int enthalpies[NBPAIRS+1][NBPAIRS+1]; /* stack enthalpies */ +extern int entropies[NBPAIRS+1][NBPAIRS+1]; /* not used anymore */ + +extern int hairpin37[31]; +extern int bulge37[31]; +extern int internal_loop37[31]; +extern int internal2_energy; +extern int old_mismatch_37[NBPAIRS+1][5][5]; +extern int mismatchI37[NBPAIRS+1][5][5]; /* interior loop mismatches */ +extern int mismatchH37[NBPAIRS+1][5][5]; /* same for hairpins */ +extern int mismatchM37[NBPAIRS+1][5][5]; /* same for multiloops */ +extern int mism_H[NBPAIRS+1][5][5]; /* mismatch enthalpies */ + +extern int dangle5_37[NBPAIRS+1][5]; /* 5' dangle exterior of pair */ +extern int dangle3_37[NBPAIRS+1][5]; /* 3' dangle */ +extern int dangle3_H[NBPAIRS+1][5]; /* corresponding enthalpies */ +extern int dangle5_H[NBPAIRS+1][5]; + +extern int int11_37[NBPAIRS+1][NBPAIRS+1][5][5]; /* 1x1 interior loops */ +extern int int11_H[NBPAIRS+1][NBPAIRS+1][5][5]; + +extern int int21_37[NBPAIRS+1][NBPAIRS+1][5][5][5]; /* 2x1 interior loops */ +extern int int21_H[NBPAIRS+1][NBPAIRS+1][5][5][5]; + +extern int int22_37[NBPAIRS+1][NBPAIRS+1][5][5][5][5]; /* 2x2 interior loops */ +extern int int22_H[NBPAIRS+1][NBPAIRS+1][5][5][5][5]; + +/* constants for linearly destabilizing contributions for multi-loops + F = ML_closing + ML_intern*(k-1) + ML_BASE*u */ +extern int ML_BASE37; +extern int ML_closing37; +extern int ML_intern37; + +/* Ninio-correction for asymmetric internal loops with branches n1 and n2 */ +/* ninio_energy = min{max_ninio, |n1-n2|*F_ninio[min{4.0, n1, n2}] } */ +extern int MAX_NINIO; /* maximum correction */ +extern int F_ninio37[5]; + +/* penalty for helices terminated by AU (actually not GC) */ +extern int TerminalAU; +/* penalty for forming bi-molecular duplex */ +extern int DuplexInit; +/* stabilizing contribution due to special hairpins of size 4 (tetraloops) */ +extern char Tetraloops[]; /* string containing the special tetraloops */ +extern int TETRA_ENERGY37[]; /* Bonus energy for special tetraloops */ +extern int TETRA_ENTH37; +extern char Triloops[]; /* string containing the special triloops */ +extern int Triloop_E37[]; /* Bonus energy for special Triloops */ + +extern double Tmeasure; /* temperature of param measurements */ +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_param.cpp b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_param.cpp new file mode 100644 index 0000000..6834c6e --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_param.cpp @@ -0,0 +1,11600 @@ +#include "energy_param.hpp" + + + +namespace MXSCARNA { +const int energy_param::INF = 10000; +const int energy_param::NST = 0; +const int energy_param::DEF = -50; +const double energy_param::lxc37 = 107.856; +const int +energy_param:: +stack37[8][8] = +/* CG GC GU UG AU UA */ +{ { INF, INF, INF, INF, INF, INF, INF, INF}, + { INF, -240, -330, -210, -140, -210, -210, NST}, // CG + { INF, -330, -340, -250, -150, -220, -240, NST}, // GC + { INF, -210, -250, 130, -50, -140, -130, NST}, // GU + { INF, -140, -150, -50, 30, -60, -100, NST}, // UG + { INF, -210, -220, -140, -60, -110, -90, NST}, // AU + { INF, -210, -240, -130, -100, -90, -130, NST}, // UA + { INF, NST, NST, NST, NST, NST, NST, NST}}; + +/* enthalpies (0.01*kcal/mol at 37 C) for stacked pairs */ +/* different from mfold-2.3, which uses values from mfold-2.2 */ +const int +energy_param:: +enthalpies[8][8] = +/* CG GC GU UG AU UA */ +{ { INF, INF, INF, INF, INF, INF, INF, INF}, + { INF, -1060, -1340, -1210, -560, -1050, -1040, NST}, + { INF, -1340, -1490, -1260, -830, -1140, -1240, NST}, + { INF, -1210, -1260, -1460, -1350, -880, -1280, NST}, + { INF, -560, -830, -1350, -930, -320, -700, NST}, + { INF, -1050, -1140, -880, -320, -940, -680, NST}, + { INF, -1040, -1240, -1280, -700, -680, -770, NST}, + { INF, NST, NST, NST, NST, NST, NST, NST}}; + +/* old values are here just for comparison */ +const int energy_param::oldhairpin37[31] = { /* from ViennaRNA 1.3 */ + INF, INF, INF, 410, 490, 440, 470, 500, 510, 520, 531, + 542, 551, 560, 568, 575, 582, 589, 595, 601, 606, + 611, 616, 621, 626, 630, 634, 638, 642, 646, 650}; + +const int energy_param::hairpin37[31] = { + INF, INF, INF, 570, 560, 560, 540, 590, 560, 640, 650, + 660, 670, 678, 686, 694, 701, 707, 713, 719, 725, + 730, 735, 740, 744, 749, 753, 757, 761, 765, 769}; + +const int energy_param::oldbulge37[31] = { + INF, 390, 310, 350, 420, 480, 500, 516, 531, 543, 555, + 565, 574, 583, 591, 598, 605, 612, 618, 624, 630, + 635, 640, 645, 649, 654, 658, 662, 666, 670, 673}; + +const int energy_param::bulge37[31] = { + INF, 380, 280, 320, 360, 400, 440, 459, 470, 480, 490, + 500, 510, 519, 527, 534, 541, 548, 554, 560, 565, + 571, 576, 580, 585, 589, 594, 598, 602, 605, 609}; + +const int energy_param::oldinternal_loop37[31] = { + INF, INF, 410, 510, 490, 530, 570, 587, 601, 614, 625, + 635, 645, 653, 661, 669, 676, 682, 688, 694, 700, + 705, 710, 715, 720, 724, 728, 732, 736, 740, 744}; + +const int energy_param::internal_loop37[31] = { + INF, INF, 410, 510, 170, 180, 200, 220, 230, 240, 250, + 260, 270, 278, 286, 294, 301, 307, 313, 319, 325, + 330, 335, 340, 345, 349, 353, 357, 361, 365, 369}; + +/* terminal mismatches */ +/* mismatch free energies for interior loops at 37C */ +const int energy_param::mismatchI37[8][5][5] = +{ /* @@ */ + {{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0}}, + { /* CG */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, 0, 0, -110, 0}, /* A@ AA AC AG AU */ + { 0, 0, 0, 0, 0}, /* C@ CA CC CG CU */ + { 0, -110, 0, 0, 0}, /* G@ GA GC GG GU */ + { 0, 0, 0, 0, -70}},/* U@ UA UC UG UU */ + { /* GC */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, 0, 0, -110, 0}, /* A@ AA AC AG AU */ + { 0, 0, 0, 0, 0}, /* C@ CA CC CG CU */ + { 0, -110, 0, 0, 0}, /* G@ GA GC GG GU */ + { 0, 0, 0, 0, -70}},/* U@ UA UC UG UU */ + { /* GU */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, 70, 70, -40, 70}, /* A@ AA AC AG AU */ + { 0, 70, 70, 70, 70}, /* C@ CA CC CG CU */ + { 0, -40, 70, 70, 70}, /* G@ GA GC GG GU */ + { 0, 70, 70, 70, 0}},/* U@ UA UC UG UU */ + { /* UG */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, 70, 70, -40, 70}, /* A@ AA AC AG AU */ + { 0, 70, 70, 70, 70}, /* C@ CA CC CG CU */ + { 0, -40, 70, 70, 70}, /* G@ GA GC GG GU */ + { 0, 70, 70, 70, 0}},/* U@ UA UC UG UU */ + { /* AU */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, 70, 70, -40, 70}, /* A@ AA AC AG AU */ + { 0, 70, 70, 70, 70}, /* C@ CA CC CG CU */ + { 0, -40, 70, 70, 70}, /* G@ GA GC GG GU */ + { 0, 70, 70, 70, 0}},/* U@ UA UC UG UU */ + { /* UA */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, 70, 70, -40, 70}, /* A@ AA AC AG AU */ + { 0, 70, 70, 70, 70}, /* C@ CA CC CG CU */ + { 0, -40, 70, 70, 70}, /* G@ GA GC GG GU */ + { 0, 70, 70, 70, 0}},/* U@ UA UC UG UU */ + { /* @@ */ + { 90, 90, 90, 90, 90},{ 90, 90, 90, 90,-20},{ 90, 90, 90, 90, 90}, + { 90,-20, 90, 90, 90},{ 90, 90, 90, 90, 20}} +}; + +/* mismatch free energies for hairpins at 37C */ +const int energy_param::mismatchH37[8][5][5] = +{ /* @@ */ + {{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0}}, + { /* CG */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { -90, -150, -150, -140, -180}, /* A@ AA AC AG AU */ + { -90, -100, -90, -290, -80}, /* C@ CA CC CG CU */ + { -90, -220, -200, -160, -110}, /* G@ GA GC GG GU */ + { -90, -170, -140, -180, -200}},/* U@ UA UC UG UU */ + { /* GC */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { -70, -110, -150, -130, -210}, /* A@ AA AC AG AU */ + { -70, -110, -70, -240, -50}, /* C@ CA CC CG CU */ + { -70, -240, -290, -140, -120}, /* G@ GA GC GG GU */ + { -70, -190, -100, -220, -150}},/* U@ UA UC UG UU */ + { /* GU */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, 20, -50, -30, -30}, /* A@ AA AC AG AU */ + { 0, -10, -20, -150, -20}, /* C@ CA CC CG CU */ + { 0, -90, -110, -30, 0}, /* G@ GA GC GG GU */ + { 0, -30, -30, -40, -110}},/* U@ UA UC UG UU */ + { /* UG */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, -50, -30, -60, -50}, /* A@ AA AC AG AU */ + { 0, -20, -10, -170, 0}, /* C@ CA CC CG CU */ + { 0, -80, -120, -30, -70}, /* G@ GA GC GG GU */ + { 0, -60, -10, -60, -80}},/* U@ UA UC UG UU */ + { /* AU */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, -30, -50, -30, -30}, /* A@ AA AC AG AU */ + { 0, -10, -20, -150, -20}, /* C@ CA CC CG CU */ + { 0, -110, -120, -20, 20}, /* G@ GA GC GG GU */ + { 0, -30, -30, -60, -110}},/* U@ UA UC UG UU */ + { /* UA */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { 0, -50, -30, -60, -50}, /* A@ AA AC AG AU */ + { 0, -20, -10, -120, -0}, /* C@ CA CC CG CU */ + { 0, -140, -120, -70, -20}, /* G@ GA GC GG GU */ + { 0, -30, -10, -50, -80}},/* U@ UA UC UG UU */ + { /* @@ */ + { 0, 0, 0, 0, 0},{ 0, 0, 0, 0, 0},{ 0, 0, 0, 0, 0}, + { 0, 0, 0, 0, 0},{ 0, 0, 0, 0, 0}} +}; + +/* mismatch energies in multiloops */ + +/* these are probably junk */ +/* mismatch enthalpies for temperature scaling */ +const int energy_param::mism_H[8][5][5] = +{ /* no pair */ + {{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0},{0,0,0,0,0}}, + { /* CG */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { DEF,-1030, -950,-1030,-1030}, /* A@ AA AC AG AU */ + { DEF, -520, -450, -520, -670}, /* C@ CA CC CG CU */ + { DEF, -940, -940, -940, -940}, /* G@ GA GC GG GU */ + { DEF, -810, -740, -810, -860}},/* U@ UA UC UG UU */ + { /* GC */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { DEF, -520, -880, -560, -880}, /* A@ AA AC AG AU */ + { DEF, -720, -310, -310, -390}, /* C@ CA CC CG CU */ + { DEF, -710, -740, -620, -740}, /* G@ GA GC GG GU */ + { DEF, -500, -500, -500, -570}},/* U@ UA UC UG UU */ + { /* GU */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { DEF, -430, -600, -600, -600}, /* A@ AA AC AG AU */ + { DEF, -260, -240, -240, -240}, /* C@ CA CC CG CU */ + { DEF, -340, -690, -690, -690}, /* G@ GA GC GG GU */ + { DEF, -330, -330, -330, -330}},/* U@ UA UC UG UU */ + { /* UG */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { DEF, -720, -790, -960, -810}, /* A@ AA AC AG AU */ + { DEF, -480, -480, -360, -480}, /* C@ CA CC CG CU */ + { DEF, -660, -810, -920, -810}, /* G@ GA GC GG GU */ + { DEF, -550, -440, -550, -360}},/* U@ UA UC UG UU */ + { /* AU */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { DEF, -430, -600, -600, -600}, /* A@ AA AC AG AU */ + { DEF, -260, -240, -240, -240}, /* C@ CA CC CG CU */ + { DEF, -340, -690, -690, -690}, /* G@ GA GC GG GU */ + { DEF, -330, -330, -330, -330}},/* U@ UA UC UG UU */ + { /* UA */ + { 0, 0, 0, 0, 0}, /* @@ @A @C @G @U */ + { DEF, -400, -630, -890, -590}, /* A@ AA AC AG AU */ + { DEF, -430, -510, -200, -180}, /* C@ CA CC CG CU */ + { DEF, -380, -680, -890, -680}, /* G@ GA GC GG GU */ + { DEF, -280, -140, -280, -140}},/* U@ UA UC UG UU */ + { /* nonstandard pair */ + {DEF,DEF,DEF,DEF,DEF},{DEF,DEF,DEF,DEF,DEF},{DEF,DEF,DEF,DEF,DEF}, + {DEF,DEF,DEF,DEF,DEF},{DEF,DEF,DEF,DEF,DEF}} +}; + +/* 5' dangling ends (unpaird base stacks on first paired base) */ +const int energy_param::dangle5_37[8][5]= +{/* @ A C G U */ + { INF, INF, INF, INF, INF}, /* no pair */ + { INF, -50, -30, -20, -10}, /* CG (stacks on C) */ + { INF, -20, -30, -0, -0}, /* GC (stacks on G) */ + { INF, -30, -30, -40, -20}, /* GU */ + { INF, -30, -10, -20, -20}, /* UG */ + { INF, -30, -30, -40, -20}, /* AU */ + { INF, -30, -10, -20, -20}, /* UA */ + { 0, 0, 0, 0, 0} /* @ */ +}; + +/* 3' dangling ends (unpaired base stacks on second paired base */ +const int energy_param::dangle3_37[8][5]= +{/* @ A C G U */ + { INF, INF, INF, INF, INF}, /* no pair */ + { INF, -110, -40, -130, -60}, /* CG (stacks on G) */ + { INF, -170, -80, -170, -120}, /* GC */ + { INF, -70, -10, -70, -10}, /* GU */ + { INF, -80, -50, -80, -60}, /* UG */ + { INF, -70, -10, -70, -10}, /* AU */ + { INF, -80, -50, -80, -60}, /* UA */ + { 0, 0, 0, 0, 0} /* @ */ +}; + +/* enthalpies for temperature scaling */ +const int energy_param::dangle3_H[8][5] = +{/* @ A C G U */ + { INF, INF, INF, INF, INF}, /* no pair */ + { 0, -740, -280, -640, -360}, + { 0, -900, -410, -860, -750}, + { 0, -740, -240, -720, -490}, + { 0, -490, -90, -550, -230}, + { 0, -570, -70, -580, -220}, + { 0, -490, -90, -550, -230}, + { 0, 0, 0, 0, 0} +}; + +const int energy_param::dangle5_H[8][5] = +{/* @ A C G U */ + { INF, INF, INF, INF, INF}, /* no pair */ + { 0, -240, 330, 80, -140}, + { 0, -160, 70, -460, -40}, + { 0, 160, 220, 70, 310}, + { 0, -150, 510, 10, 100}, + { 0, 160, 220, 70, 310}, + { 0, -50, 690, -60, -60}, + { 0, 0, 0, 0, 0} +}; + + +/* constants for linearly destabilizing contributions for multi-loops + F = ML_closing + ML_intern*k + ML_BASE*u */ +/* old versions erroneously used ML_intern*(k-1) */ + +const int energy_param::ML_BASE37 = 0; +const int energy_param::ML_closing37 = 340; +const int energy_param::ML_intern37 = 40; + + +/* Ninio-correction for asymmetric internal loops with branches n1 and n2 */ +/* ninio_energy = min{max_ninio, |n1-n2|*F_ninio[min{4.0, n1, n2}] } */ +const int energy_param::MAX_NINIO = 300; /* maximum correction */ +const int energy_param::F_ninio37[5] = { 0, 40, 50, 20, 10 }; /* only F[2] used */ + +/* stabilizing contribution due to special hairpins of size 4 (tetraloops) */ + +const char energy_param::Tetraloops[1400] = /* place for up to 200 tetra loops */ + "GGGGAC " + "GGUGAC " + "CGAAAG " + "GGAGAC " + "CGCAAG " + "GGAAAC " + "CGGAAG " + "CUUCGG " + "CGUGAG " + "CGAAGG " + "CUACGG " + "GGCAAC " + "CGCGAG " + "UGAGAG " + "CGAGAG " + "AGAAAU " + "CGUAAG " + "CUAACG " + "UGAAAG " + "GGAAGC " + "GGGAAC " + "UGAAAA " + "AGCAAU " + "AGUAAU " + "CGGGAG " + "AGUGAU " + "GGCGAC " + "GGGAGC " + "GUGAAC " + "UGGAAA " +; + +const char energy_param::Tetrastrings[30][7] = { + "GGGGAC", + "GGUGAC", + "CGAAAG", + "GGAGAC", + "CGCAAG", + "GGAAAC", + "CGGAAG", + "CUUCGG", + "CGUGAG", + "CGAAGG", + "CUACGG", + "GGCAAC", + "CGCGAG", + "UGAGAG", + "CGAGAG", + "AGAAAU", + "CGUAAG", + "CUAACG", + "UGAAAG", + "GGAAGC", + "GGGAAC", + "UGAAAA", + "AGCAAU", + "AGUAAU", + "CGGGAG", + "AGUGAU", + "GGCGAC", + "GGGAGC", + "GUGAAC", + "UGGAAA" +}; + +const int energy_param::TETRA_ENERGY37[200] = { + -300, -300, -300, -300, -300, -300, -300, -300, -300, -250, -250, -250, + -250, -250, -200, -200, -200, -200, -200, -150, -150, -150, -150, -150, + -150, -150, -150, -150, -150, -150}; + +const int energy_param::TETRA_ENTH37 = -400; + + +/* penalty for AU (or GU) terminating helix) */ +/* mismatches already contain these */ +const int energy_param::TerminalAU = 50; + +/* penalty for forming a bi-molecular duplex */ +const int energy_param::DuplexInit = 410; + +//#include "intloops.h" + + +const int energy_param::int11_37[8][8][5][5] = +{ /* noPair */ {{{0}}}, + { /* noPair */ {{0}}, +/* CG..CG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 40, 40, 40}, +{ 110, 40, 40, 40, 40}, +{ 110, 40, 40, -140, 40}, +{ 110, 40, 40, 40, 40} +}, +/* CG..GC */ +{{ 110, 110, 110, 110, 110}, +{ 110, 40, -40, 40, 40}, +{ 110, 30, 50, 40, 50}, +{ 110, -10, 40, -170, 40}, +{ 110, 40, 0, 40, -30} +}, +/* CG..GU */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* CG..UG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* CG..AU */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* CG..UA */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* CG..?? */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110} +} +}, +{ /* noPair */ {{0}}, +/* GC..CG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 40, 30, -10, 40}, +{ 110, -40, 50, 40, 0}, +{ 110, 40, 40, -170, 40}, +{ 110, 40, 50, 40, -30} +}, +/* GC..GC */ +{{ 110, 110, 110, 110, 110}, +{ 110, 80, 40, 40, 40}, +{ 110, 40, 40, 40, 40}, +{ 110, 40, 40, -210, 40}, +{ 110, 40, 40, 40, -70} +}, +/* GC..GU */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* GC..UG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* GC..AU */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 100} +}, +/* GC..UA */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* GC..?? */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110} +} +}, +{ /* noPair */ {{0}}, +/* GU..CG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* GU..GC */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* GU..GU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* GU..UG */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* GU..AU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* GU..UA */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* GU..?? */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +} +}, +{ /* noPair */ {{0}}, +/* UG..CG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* UG..GC */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* UG..GU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* UG..UG */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* UG..AU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* UG..UA */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* UG..?? */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +} +}, +{ /* noPair */ {{0}}, +/* AU..CG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* AU..GC */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 100} +}, +/* AU..GU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* AU..UG */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* AU..AU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 120} +}, +/* AU..UA */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 150} +}, +/* AU..?? */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +} +}, +{ /* noPair */ {{0}}, +/* UA..CG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* UA..GC */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, -100, 110}, +{ 110, 110, 110, 110, 110} +}, +/* UA..GU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* UA..UG */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 170} +}, +/* UA..AU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 150} +}, +/* UA..UA */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, -40, 170}, +{ 170, 170, 170, 170, 180} +}, +/* UA..?? */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +} +}, +{ /* noPair */ {{0}}, +/* ??..CG */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110} +}, +/* ??..GC */ +{{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110}, +{ 110, 110, 110, 110, 110} +}, +/* ??..GU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +}, +/* ??..UG */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +}, +/* ??..AU */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +}, +/* ??..UA */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +}, +/* ??..?? */ +{{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170}, +{ 170, 170, 170, 170, 170} +} +} +}; + +const int energy_param::int11_H[8][8][5][5] = + /* GC..GC */ +{ /* noPair */ {{{0}}}, +{ /* noPair */ {{0}}, +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GC..CG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GC..GU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GC..UG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GC..AU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GC..UA */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GC.. @ */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}}, + /* CG..GC */ +{ /* noPair */ {{0}}, +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* CG..CG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* CG..GU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* CG..UG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* CG..AU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* CG..UA */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* CG.. @ */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}}, + /* GU..GC */ +{ /* noPair */ {{0}}, +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GU..CG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GU..GU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GU..UG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GU..AU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GU..UA */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* GU.. @ */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}}, + /* UG..GC */ +{ /* noPair */ {{0}}, +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UG..CG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UG..GU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UG..UG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UG..AU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UG..UA */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UG.. @ */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}}, + /* AU..GC */ +{ /* noPair */ {{0}}, +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* AU..CG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* AU..GU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* AU..UG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* AU..AU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* AU..UA */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* AU.. @ */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}}, + /* UA..GC */ +{ /* noPair */ {{0}}, +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UA..CG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UA..GU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UA..UG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UA..AU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UA..UA */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* UA.. @ */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}}, + /* @..GC */ +{ /* noPair */ {{0}}, +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* @..CG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* @..GU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* @..UG */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* @..AU */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* @..UA */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}, + /* @.. @ */ +{ { 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}, +{ 0, 0, 0, 0, 0}}}}; + +const int energy_param::int21_37[8][8][5][5][5] = +{ /* noPair */ {{{{0}}}}, +{ /* noPair */ {{{0}}}, +{ +/* CG.@..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.A..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 240, 220, 160, 400},{ 550, 210, 170, 160, 400},{ 550, 100, 60, 40, 400},{ 550, 400, 400, 400, 400}}, +/* CG.C..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 230, 220, 400, 220},{ 550, 220, 250, 400, 220},{ 550, 400, 400, 400, 400},{ 550, 250, 190, 400, 220}}, +/* CG.G..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 170, 400, 80, 400},{ 550, 400, 400, 400, 400},{ 550, 80, 400, 220, 400},{ 550, 400, 400, 400, 400}}, +/* CG.U..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 400, 400, 400, 400},{ 550, 400, 220, 400, 130},{ 550, 400, 400, 400, 400},{ 550, 400, 170, 400, 120}} +}, +{ +/* CG.@..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.A..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 230, 220, 110, 400},{ 550, 210, 170, 160, 400},{ 550, 80, 60, 40, 400},{ 550, 400, 400, 400, 400}}, +/* CG.C..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 230, 220, 400, 220},{ 550, 220, 250, 400, 220},{ 550, 400, 400, 400, 400},{ 550, 250, 190, 400, 220}}, +/* CG.G..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 170, 400, 80, 400},{ 550, 400, 400, 400, 400},{ 550, 80, 400, 220, 400},{ 550, 400, 400, 400, 400}}, +/* CG.U..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 400, 400, 400, 400},{ 550, 400, 220, 400, 150},{ 550, 400, 400, 400, 400},{ 550, 400, 170, 400, 120}} +}, +{ +/* CG.@..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.A..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* CG.C..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* CG.G..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* CG.U..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* CG.@..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.A..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* CG.C..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* CG.G..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* CG.U..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* CG.@..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.A..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* CG.C..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* CG.G..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* CG.U..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* CG.@..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.A..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* CG.C..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* CG.G..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* CG.U..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* CG.@..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.A..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.C..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.G..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* CG.U..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* GC.@..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.A..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 220, 210, 400},{ 550, 210, 170, 160, 400},{ 550, 120, 60, 40, 400},{ 550, 400, 400, 400, 400}}, +/* GC.C..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 230, 220, 400, 220},{ 550, 220, 250, 400, 220},{ 550, 400, 400, 400, 400},{ 550, 250, 190, 400, 220}}, +/* GC.G..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 170, 400, 80, 400},{ 550, 400, 400, 400, 400},{ 550, 80, 400, 220, 400},{ 550, 400, 400, 400, 400}}, +/* GC.U..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 400, 400, 400, 400},{ 550, 400, 220, 400, 120},{ 550, 400, 400, 400, 400},{ 550, 400, 170, 400, 120}} +}, +{ +/* GC.@..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.A..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 240, 220, 160, 400},{ 550, 210, 170, 160, 400},{ 550, 100, 60, 40, 400},{ 550, 400, 400, 400, 400}}, +/* GC.C..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 230, 220, 400, 220},{ 550, 220, 250, 400, 220},{ 550, 400, 400, 400, 400},{ 550, 250, 190, 400, 220}}, +/* GC.G..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 170, 400, 80, 400},{ 550, 400, 400, 400, 400},{ 550, 80, 400, 220, 400},{ 550, 400, 400, 400, 400}}, +/* GC.U..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 400, 400, 400, 400},{ 550, 400, 220, 400, 130},{ 550, 400, 400, 400, 400},{ 550, 400, 170, 400, 120}} +}, +{ +/* GC.@..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.A..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* GC.C..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* GC.G..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* GC.U..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* GC.@..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.A..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* GC.C..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* GC.G..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* GC.U..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* GC.@..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.A..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* GC.C..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* GC.G..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* GC.U..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* GC.@..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.A..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* GC.C..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* GC.G..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* GC.U..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* GC.@..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.A..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.C..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.G..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GC.U..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* GU.@..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.A..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* GU.C..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* GU.G..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* GU.U..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* GU.@..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.A..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* GU.C..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* GU.G..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* GU.U..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* GU.@..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.A..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* GU.C..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* GU.G..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* GU.U..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* GU.@..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.A..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* GU.C..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* GU.G..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* GU.U..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* GU.@..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.A..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* GU.C..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* GU.G..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* GU.U..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* GU.@..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.A..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* GU.C..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* GU.G..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* GU.U..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* GU.@..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.A..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.C..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.G..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* GU.U..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* UG.@..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.A..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* UG.C..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* UG.G..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* UG.U..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* UG.@..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.A..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* UG.C..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* UG.G..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* UG.U..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* UG.@..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.A..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UG.C..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UG.G..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UG.U..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UG.@..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.A..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UG.C..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UG.G..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UG.U..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UG.@..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.A..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UG.C..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UG.G..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UG.U..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UG.@..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.A..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UG.C..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UG.G..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UG.U..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UG.@..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.A..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.C..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.G..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UG.U..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* AU.@..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.A..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* AU.C..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* AU.G..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* AU.U..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* AU.@..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.A..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* AU.C..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* AU.G..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* AU.U..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* AU.@..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.A..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* AU.C..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* AU.G..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* AU.U..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* AU.@..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.A..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* AU.C..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* AU.G..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* AU.U..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* AU.@..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.A..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* AU.C..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* AU.G..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* AU.U..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* AU.@..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.A..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* AU.C..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* AU.G..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* AU.U..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* AU.@..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.A..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.C..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.G..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* AU.U..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* UA.@..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.A..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* UA.C..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* UA.G..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* UA.U..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* UA.@..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.A..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 300, 240, 480},{ 550, 290, 250, 240, 480},{ 550, 180, 140, 120, 480},{ 550, 480, 480, 480, 480}}, +/* UA.C..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 310, 300, 480, 300},{ 550, 300, 330, 480, 300},{ 550, 480, 480, 480, 480},{ 550, 330, 270, 480, 300}}, +/* UA.G..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 250, 480, 160, 480},{ 550, 480, 480, 480, 480},{ 550, 160, 480, 300, 480},{ 550, 480, 480, 480, 480}}, +/* UA.U..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 480, 480, 480, 480},{ 550, 480, 300, 480, 210},{ 550, 480, 480, 480, 480},{ 550, 480, 250, 480, 200}} +}, +{ +/* UA.@..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.A..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UA.C..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UA.G..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UA.U..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UA.@..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.A..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UA.C..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UA.G..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UA.U..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UA.@..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.A..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UA.C..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UA.G..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UA.U..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UA.@..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.A..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 390, 370, 310, 550},{ 550, 360, 320, 310, 550},{ 550, 250, 210, 190, 550},{ 550, 550, 550, 550, 550}}, +/* UA.C..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 380, 370, 550, 370},{ 550, 370, 400, 550, 370},{ 550, 550, 550, 550, 550},{ 550, 400, 340, 550, 370}}, +/* UA.G..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 320, 550, 230, 550},{ 550, 550, 550, 550, 550},{ 550, 230, 550, 370, 550},{ 550, 550, 550, 550, 550}}, +/* UA.U..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 370, 550, 280},{ 550, 550, 550, 550, 550},{ 550, 550, 320, 550, 270}} +}, +{ +/* UA.@..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.A..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.C..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.G..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* UA.U..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* ??.@..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.A..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.C..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.G..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.U..GC */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +}, +{ +/* ??.@..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.A..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.C..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.G..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.U..CG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +}, +{ +/* ??.@..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.A..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.C..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.G..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.U..UG */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +}, +{ +/* ??.@..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.A..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.C..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.G..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.U..GU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +}, +{ +/* ??.@..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.A..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.C..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.G..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.U..UA */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +}, +{ +/* ??.@..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.A..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.C..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.G..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.U..AU */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +}, +{ +/* ??.@..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.A..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.C..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.G..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}}, +/* ??.U..?? */ +{{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550},{ 550, 550, 550, 550, 550}} +} +} +}; + +const int energy_param::int21_H[8][8][5][5][5] = +{ /* noPair */ {{{{0}}}}, +{ /* noPair */ {{{0}}}, +{ +/* CG.@..CG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* CG.A..CG */ +{{ -50,-1029, -949,-1029,-1029},{-1079,-2058,-1978,-2058,-2058},{ -569,-1548,-1468,-1548,-1548},{ -989,-1968,-1888,-1968,-1968},{ -859,-1838,-1758,-1838,-1838}}, +/* CG.C..CG */ +{{ -50, -519, -449, -519, -669},{ -999,-1468,-1398,-1468,-1618},{ -499, -968, -898, -968,-1118},{ -989,-1458,-1388,-1458,-1608},{ -789,-1258,-1188,-1258,-1408}}, +/* CG.G..CG */ +{{ -50, -939, -939, -939, -939},{-1079,-1968,-1968,-1968,-1968},{ -569,-1458,-1458,-1458,-1458},{ -989,-1878,-1878,-1878,-1878},{ -859,-1748,-1748,-1748,-1748}}, +/* CG.U..CG */ +{{ -50, -809, -739, -809, -859},{-1079,-1838,-1768,-1838,-1888},{ -719,-1478,-1408,-1478,-1528},{ -989,-1748,-1678,-1748,-1798},{ -909,-1668,-1598,-1668,-1718}} +}, +{ +/* CG.@..GC */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* CG.A..GC */ +{{ -50,-1029, -949,-1029,-1029},{ -569,-1548,-1468,-1548,-1548},{ -769,-1748,-1668,-1748,-1748},{ -759,-1738,-1658,-1738,-1738},{ -549,-1528,-1448,-1528,-1528}}, +/* CG.C..GC */ +{{ -50, -519, -449, -519, -669},{ -929,-1398,-1328,-1398,-1548},{ -359, -828, -758, -828, -978},{ -789,-1258,-1188,-1258,-1408},{ -549,-1018, -948,-1018,-1168}}, +/* CG.G..GC */ +{{ -50, -939, -939, -939, -939},{ -609,-1498,-1498,-1498,-1498},{ -359,-1248,-1248,-1248,-1248},{ -669,-1558,-1558,-1558,-1558},{ -549,-1438,-1438,-1438,-1438}}, +/* CG.U..GC */ +{{ -50, -809, -739, -809, -859},{ -929,-1688,-1618,-1688,-1738},{ -439,-1198,-1128,-1198,-1248},{ -789,-1548,-1478,-1548,-1598},{ -619,-1378,-1308,-1378,-1428}} +}, +{ +/* CG.@..GU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* CG.A..GU */ +{{ -50,-1029, -949,-1029,-1029},{ -479,-1458,-1378,-1458,-1458},{ -309,-1288,-1208,-1288,-1288},{ -389,-1368,-1288,-1368,-1368},{ -379,-1358,-1278,-1358,-1358}}, +/* CG.C..GU */ +{{ -50, -519, -449, -519, -669},{ -649,-1118,-1048,-1118,-1268},{ -289, -758, -688, -758, -908},{ -739,-1208,-1138,-1208,-1358},{ -379, -848, -778, -848, -998}}, +/* CG.G..GU */ +{{ -50, -939, -939, -939, -939},{ -649,-1538,-1538,-1538,-1538},{ -289,-1178,-1178,-1178,-1178},{ -739,-1628,-1628,-1628,-1628},{ -379,-1268,-1268,-1268,-1268}}, +/* CG.U..GU */ +{{ -50, -809, -739, -809, -859},{ -649,-1408,-1338,-1408,-1458},{ -289,-1048, -978,-1048,-1098},{ -739,-1498,-1428,-1498,-1548},{ -379,-1138,-1068,-1138,-1188}} +}, +{ +/* CG.@..UG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* CG.A..UG */ +{{ -50,-1029, -949,-1029,-1029},{ -769,-1748,-1668,-1748,-1748},{ -529,-1508,-1428,-1508,-1508},{ -709,-1688,-1608,-1688,-1688},{ -599,-1578,-1498,-1578,-1578}}, +/* CG.C..UG */ +{{ -50, -519, -449, -519, -669},{ -839,-1308,-1238,-1308,-1458},{ -529, -998, -928, -998,-1148},{ -859,-1328,-1258,-1328,-1478},{ -489, -958, -888, -958,-1108}}, +/* CG.G..UG */ +{{ -50, -939, -939, -939, -939},{-1009,-1898,-1898,-1898,-1898},{ -409,-1298,-1298,-1298,-1298},{ -969,-1858,-1858,-1858,-1858},{ -599,-1488,-1488,-1488,-1488}}, +/* CG.U..UG */ +{{ -50, -809, -739, -809, -859},{ -859,-1618,-1548,-1618,-1668},{ -529,-1288,-1218,-1288,-1338},{ -859,-1618,-1548,-1618,-1668},{ -409,-1168,-1098,-1168,-1218}} +}, +{ +/* CG.@..AU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* CG.A..AU */ +{{ -50,-1029, -949,-1029,-1029},{ -479,-1458,-1378,-1458,-1458},{ -309,-1288,-1208,-1288,-1288},{ -389,-1368,-1288,-1368,-1368},{ -379,-1358,-1278,-1358,-1358}}, +/* CG.C..AU */ +{{ -50, -519, -449, -519, -669},{ -649,-1118,-1048,-1118,-1268},{ -289, -758, -688, -758, -908},{ -739,-1208,-1138,-1208,-1358},{ -379, -848, -778, -848, -998}}, +/* CG.G..AU */ +{{ -50, -939, -939, -939, -939},{ -649,-1538,-1538,-1538,-1538},{ -289,-1178,-1178,-1178,-1178},{ -739,-1628,-1628,-1628,-1628},{ -379,-1268,-1268,-1268,-1268}}, +/* CG.U..AU */ +{{ -50, -809, -739, -809, -859},{ -649,-1408,-1338,-1408,-1458},{ -289,-1048, -978,-1048,-1098},{ -739,-1498,-1428,-1498,-1548},{ -379,-1138,-1068,-1138,-1188}} +}, +{ +/* CG.@..UA */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* CG.A..UA */ +{{ -50,-1029, -949,-1029,-1029},{ -449,-1428,-1348,-1428,-1428},{ -479,-1458,-1378,-1458,-1458},{ -429,-1408,-1328,-1408,-1408},{ -329,-1308,-1228,-1308,-1308}}, +/* CG.C..UA */ +{{ -50, -519, -449, -519, -669},{ -679,-1148,-1078,-1148,-1298},{ -559,-1028, -958,-1028,-1178},{ -729,-1198,-1128,-1198,-1348},{ -189, -658, -588, -658, -808}}, +/* CG.G..UA */ +{{ -50, -939, -939, -939, -939},{ -939,-1828,-1828,-1828,-1828},{ -249,-1138,-1138,-1138,-1138},{ -939,-1828,-1828,-1828,-1828},{ -329,-1218,-1218,-1218,-1218}}, +/* CG.U..UA */ +{{ -50, -809, -739, -809, -859},{ -639,-1398,-1328,-1398,-1448},{ -229, -988, -918, -988,-1038},{ -729,-1488,-1418,-1488,-1538},{ -190, -949, -879, -949, -999}} +}, +{ +/* CG.@.. @ */ +{{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* CG.A.. @ */ +{{ -100,-1079, -999,-1079,-1079},{ -100,-1079, -999,-1079,-1079},{ -100,-1079, -999,-1079,-1079},{ -100,-1079, -999,-1079,-1079},{ -100,-1079, -999,-1079,-1079}}, +/* CG.C.. @ */ +{{ -100, -569, -499, -569, -719},{ -100, -569, -499, -569, -719},{ -100, -569, -499, -569, -719},{ -100, -569, -499, -569, -719},{ -100, -569, -499, -569, -719}}, +/* CG.G.. @ */ +{{ -100, -989, -989, -989, -989},{ -100, -989, -989, -989, -989},{ -100, -989, -989, -989, -989},{ -100, -989, -989, -989, -989},{ -100, -989, -989, -989, -989}}, +/* CG.U.. @ */ +{{ -100, -859, -789, -859, -909},{ -100, -859, -789, -859, -909},{ -100, -859, -789, -859, -909},{ -100, -859, -789, -859, -909},{ -100, -859, -789, -859, -909}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* GC.@..CG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GC.A..CG */ +{{ -50, -519, -879, -559, -879},{-1079,-1548,-1908,-1588,-1908},{ -569,-1038,-1398,-1078,-1398},{ -989,-1458,-1818,-1498,-1818},{ -859,-1328,-1688,-1368,-1688}}, +/* GC.C..CG */ +{{ -50, -719, -309, -309, -389},{ -999,-1668,-1258,-1258,-1338},{ -499,-1168, -758, -758, -838},{ -989,-1658,-1248,-1248,-1328},{ -789,-1458,-1048,-1048,-1128}}, +/* GC.G..CG */ +{{ -50, -709, -739, -619, -739},{-1079,-1738,-1768,-1648,-1768},{ -569,-1228,-1258,-1138,-1258},{ -989,-1648,-1678,-1558,-1678},{ -859,-1518,-1548,-1428,-1548}}, +/* GC.U..CG */ +{{ -50, -499, -499, -499, -569},{-1079,-1528,-1528,-1528,-1598},{ -719,-1168,-1168,-1168,-1238},{ -989,-1438,-1438,-1438,-1508},{ -909,-1358,-1358,-1358,-1428}} +}, +{ +/* GC.@..GC */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GC.A..GC */ +{{ -50, -519, -879, -559, -879},{ -569,-1038,-1398,-1078,-1398},{ -769,-1238,-1598,-1278,-1598},{ -759,-1228,-1588,-1268,-1588},{ -549,-1018,-1378,-1058,-1378}}, +/* GC.C..GC */ +{{ -50, -719, -309, -309, -389},{ -929,-1598,-1188,-1188,-1268},{ -359,-1028, -618, -618, -698},{ -789,-1458,-1048,-1048,-1128},{ -549,-1218, -808, -808, -888}}, +/* GC.G..GC */ +{{ -50, -709, -739, -619, -739},{ -609,-1268,-1298,-1178,-1298},{ -359,-1018,-1048, -928,-1048},{ -669,-1328,-1358,-1238,-1358},{ -549,-1208,-1238,-1118,-1238}}, +/* GC.U..GC */ +{{ -50, -499, -499, -499, -569},{ -929,-1378,-1378,-1378,-1448},{ -439, -888, -888, -888, -958},{ -789,-1238,-1238,-1238,-1308},{ -619,-1068,-1068,-1068,-1138}} +}, +{ +/* GC.@..GU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GC.A..GU */ +{{ -50, -519, -879, -559, -879},{ -479, -948,-1308, -988,-1308},{ -309, -778,-1138, -818,-1138},{ -389, -858,-1218, -898,-1218},{ -379, -848,-1208, -888,-1208}}, +/* GC.C..GU */ +{{ -50, -719, -309, -309, -389},{ -649,-1318, -908, -908, -988},{ -289, -958, -548, -548, -628},{ -739,-1408, -998, -998,-1078},{ -379,-1048, -638, -638, -718}}, +/* GC.G..GU */ +{{ -50, -709, -739, -619, -739},{ -649,-1308,-1338,-1218,-1338},{ -289, -948, -978, -858, -978},{ -739,-1398,-1428,-1308,-1428},{ -379,-1038,-1068, -948,-1068}}, +/* GC.U..GU */ +{{ -50, -499, -499, -499, -569},{ -649,-1098,-1098,-1098,-1168},{ -289, -738, -738, -738, -808},{ -739,-1188,-1188,-1188,-1258},{ -379, -828, -828, -828, -898}} +}, +{ +/* GC.@..UG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GC.A..UG */ +{{ -50, -519, -879, -559, -879},{ -769,-1238,-1598,-1278,-1598},{ -529, -998,-1358,-1038,-1358},{ -709,-1178,-1538,-1218,-1538},{ -599,-1068,-1428,-1108,-1428}}, +/* GC.C..UG */ +{{ -50, -719, -309, -309, -389},{ -839,-1508,-1098,-1098,-1178},{ -529,-1198, -788, -788, -868},{ -859,-1528,-1118,-1118,-1198},{ -489,-1158, -748, -748, -828}}, +/* GC.G..UG */ +{{ -50, -709, -739, -619, -739},{-1009,-1668,-1698,-1578,-1698},{ -409,-1068,-1098, -978,-1098},{ -969,-1628,-1658,-1538,-1658},{ -599,-1258,-1288,-1168,-1288}}, +/* GC.U..UG */ +{{ -50, -499, -499, -499, -569},{ -859,-1308,-1308,-1308,-1378},{ -529, -978, -978, -978,-1048},{ -859,-1308,-1308,-1308,-1378},{ -409, -858, -858, -858, -928}} +}, +{ +/* GC.@..AU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GC.A..AU */ +{{ -50, -519, -879, -559, -879},{ -479, -948,-1308, -988,-1308},{ -309, -778,-1138, -818,-1138},{ -389, -858,-1218, -898,-1218},{ -379, -848,-1208, -888,-1208}}, +/* GC.C..AU */ +{{ -50, -719, -309, -309, -389},{ -649,-1318, -908, -908, -988},{ -289, -958, -548, -548, -628},{ -739,-1408, -998, -998,-1078},{ -379,-1048, -638, -638, -718}}, +/* GC.G..AU */ +{{ -50, -709, -739, -619, -739},{ -649,-1308,-1338,-1218,-1338},{ -289, -948, -978, -858, -978},{ -739,-1398,-1428,-1308,-1428},{ -379,-1038,-1068, -948,-1068}}, +/* GC.U..AU */ +{{ -50, -499, -499, -499, -569},{ -649,-1098,-1098,-1098,-1168},{ -289, -738, -738, -738, -808},{ -739,-1188,-1188,-1188,-1258},{ -379, -828, -828, -828, -898}} +}, +{ +/* GC.@..UA */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GC.A..UA */ +{{ -50, -519, -879, -559, -879},{ -449, -918,-1278, -958,-1278},{ -479, -948,-1308, -988,-1308},{ -429, -898,-1258, -938,-1258},{ -329, -798,-1158, -838,-1158}}, +/* GC.C..UA */ +{{ -50, -719, -309, -309, -389},{ -679,-1348, -938, -938,-1018},{ -559,-1228, -818, -818, -898},{ -729,-1398, -988, -988,-1068},{ -189, -858, -448, -448, -528}}, +/* GC.G..UA */ +{{ -50, -709, -739, -619, -739},{ -939,-1598,-1628,-1508,-1628},{ -249, -908, -938, -818, -938},{ -939,-1598,-1628,-1508,-1628},{ -329, -988,-1018, -898,-1018}}, +/* GC.U..UA */ +{{ -50, -499, -499, -499, -569},{ -639,-1088,-1088,-1088,-1158},{ -229, -678, -678, -678, -748},{ -729,-1178,-1178,-1178,-1248},{ -190, -639, -639, -639, -709}} +}, +{ +/* GC.@.. @ */ +{{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GC.A.. @ */ +{{ -100, -569, -929, -609, -929},{ -100, -569, -929, -609, -929},{ -100, -569, -929, -609, -929},{ -100, -569, -929, -609, -929},{ -100, -569, -929, -609, -929}}, +/* GC.C.. @ */ +{{ -100, -769, -359, -359, -439},{ -100, -769, -359, -359, -439},{ -100, -769, -359, -359, -439},{ -100, -769, -359, -359, -439},{ -100, -769, -359, -359, -439}}, +/* GC.G.. @ */ +{{ -100, -759, -789, -669, -789},{ -100, -759, -789, -669, -789},{ -100, -759, -789, -669, -789},{ -100, -759, -789, -669, -789},{ -100, -759, -789, -669, -789}}, +/* GC.U.. @ */ +{{ -100, -549, -549, -549, -619},{ -100, -549, -549, -549, -619},{ -100, -549, -549, -549, -619},{ -100, -549, -549, -549, -619},{ -100, -549, -549, -549, -619}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* GU.@..CG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GU.A..CG */ +{{ -50, -429, -599, -599, -599},{-1079,-1458,-1628,-1628,-1628},{ -569, -948,-1118,-1118,-1118},{ -989,-1368,-1538,-1538,-1538},{ -859,-1238,-1408,-1408,-1408}}, +/* GU.C..CG */ +{{ -50, -259, -239, -239, -239},{ -999,-1208,-1188,-1188,-1188},{ -499, -708, -688, -688, -688},{ -989,-1198,-1178,-1178,-1178},{ -789, -998, -978, -978, -978}}, +/* GU.G..CG */ +{{ -50, -339, -689, -689, -689},{-1079,-1368,-1718,-1718,-1718},{ -569, -858,-1208,-1208,-1208},{ -989,-1278,-1628,-1628,-1628},{ -859,-1148,-1498,-1498,-1498}}, +/* GU.U..CG */ +{{ -50, -329, -329, -329, -329},{-1079,-1358,-1358,-1358,-1358},{ -719, -998, -998, -998, -998},{ -989,-1268,-1268,-1268,-1268},{ -909,-1188,-1188,-1188,-1188}} +}, +{ +/* GU.@..GC */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GU.A..GC */ +{{ -50, -429, -599, -599, -599},{ -569, -948,-1118,-1118,-1118},{ -769,-1148,-1318,-1318,-1318},{ -759,-1138,-1308,-1308,-1308},{ -549, -928,-1098,-1098,-1098}}, +/* GU.C..GC */ +{{ -50, -259, -239, -239, -239},{ -929,-1138,-1118,-1118,-1118},{ -359, -568, -548, -548, -548},{ -789, -998, -978, -978, -978},{ -549, -758, -738, -738, -738}}, +/* GU.G..GC */ +{{ -50, -339, -689, -689, -689},{ -609, -898,-1248,-1248,-1248},{ -359, -648, -998, -998, -998},{ -669, -958,-1308,-1308,-1308},{ -549, -838,-1188,-1188,-1188}}, +/* GU.U..GC */ +{{ -50, -329, -329, -329, -329},{ -929,-1208,-1208,-1208,-1208},{ -439, -718, -718, -718, -718},{ -789,-1068,-1068,-1068,-1068},{ -619, -898, -898, -898, -898}} +}, +{ +/* GU.@..GU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GU.A..GU */ +{{ -50, -429, -599, -599, -599},{ -479, -858,-1028,-1028,-1028},{ -309, -688, -858, -858, -858},{ -389, -768, -938, -938, -938},{ -379, -758, -928, -928, -928}}, +/* GU.C..GU */ +{{ -50, -259, -239, -239, -239},{ -649, -858, -838, -838, -838},{ -289, -498, -478, -478, -478},{ -739, -948, -928, -928, -928},{ -379, -588, -568, -568, -568}}, +/* GU.G..GU */ +{{ -50, -339, -689, -689, -689},{ -649, -938,-1288,-1288,-1288},{ -289, -578, -928, -928, -928},{ -739,-1028,-1378,-1378,-1378},{ -379, -668,-1018,-1018,-1018}}, +/* GU.U..GU */ +{{ -50, -329, -329, -329, -329},{ -649, -928, -928, -928, -928},{ -289, -568, -568, -568, -568},{ -739,-1018,-1018,-1018,-1018},{ -379, -658, -658, -658, -658}} +}, +{ +/* GU.@..UG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GU.A..UG */ +{{ -50, -429, -599, -599, -599},{ -769,-1148,-1318,-1318,-1318},{ -529, -908,-1078,-1078,-1078},{ -709,-1088,-1258,-1258,-1258},{ -599, -978,-1148,-1148,-1148}}, +/* GU.C..UG */ +{{ -50, -259, -239, -239, -239},{ -839,-1048,-1028,-1028,-1028},{ -529, -738, -718, -718, -718},{ -859,-1068,-1048,-1048,-1048},{ -489, -698, -678, -678, -678}}, +/* GU.G..UG */ +{{ -50, -339, -689, -689, -689},{-1009,-1298,-1648,-1648,-1648},{ -409, -698,-1048,-1048,-1048},{ -969,-1258,-1608,-1608,-1608},{ -599, -888,-1238,-1238,-1238}}, +/* GU.U..UG */ +{{ -50, -329, -329, -329, -329},{ -859,-1138,-1138,-1138,-1138},{ -529, -808, -808, -808, -808},{ -859,-1138,-1138,-1138,-1138},{ -409, -688, -688, -688, -688}} +}, +{ +/* GU.@..AU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GU.A..AU */ +{{ -50, -429, -599, -599, -599},{ -479, -858,-1028,-1028,-1028},{ -309, -688, -858, -858, -858},{ -389, -768, -938, -938, -938},{ -379, -758, -928, -928, -928}}, +/* GU.C..AU */ +{{ -50, -259, -239, -239, -239},{ -649, -858, -838, -838, -838},{ -289, -498, -478, -478, -478},{ -739, -948, -928, -928, -928},{ -379, -588, -568, -568, -568}}, +/* GU.G..AU */ +{{ -50, -339, -689, -689, -689},{ -649, -938,-1288,-1288,-1288},{ -289, -578, -928, -928, -928},{ -739,-1028,-1378,-1378,-1378},{ -379, -668,-1018,-1018,-1018}}, +/* GU.U..AU */ +{{ -50, -329, -329, -329, -329},{ -649, -928, -928, -928, -928},{ -289, -568, -568, -568, -568},{ -739,-1018,-1018,-1018,-1018},{ -379, -658, -658, -658, -658}} +}, +{ +/* GU.@..UA */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GU.A..UA */ +{{ -50, -429, -599, -599, -599},{ -449, -828, -998, -998, -998},{ -479, -858,-1028,-1028,-1028},{ -429, -808, -978, -978, -978},{ -329, -708, -878, -878, -878}}, +/* GU.C..UA */ +{{ -50, -259, -239, -239, -239},{ -679, -888, -868, -868, -868},{ -559, -768, -748, -748, -748},{ -729, -938, -918, -918, -918},{ -189, -398, -378, -378, -378}}, +/* GU.G..UA */ +{{ -50, -339, -689, -689, -689},{ -939,-1228,-1578,-1578,-1578},{ -249, -538, -888, -888, -888},{ -939,-1228,-1578,-1578,-1578},{ -329, -618, -968, -968, -968}}, +/* GU.U..UA */ +{{ -50, -329, -329, -329, -329},{ -639, -918, -918, -918, -918},{ -229, -508, -508, -508, -508},{ -729,-1008,-1008,-1008,-1008},{ -190, -469, -469, -469, -469}} +}, +{ +/* GU.@.. @ */ +{{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* GU.A.. @ */ +{{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649}}, +/* GU.C.. @ */ +{{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289}}, +/* GU.G.. @ */ +{{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739}}, +/* GU.U.. @ */ +{{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* UG.@..CG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UG.A..CG */ +{{ -50, -719, -789, -959, -809},{-1079,-1748,-1818,-1988,-1838},{ -569,-1238,-1308,-1478,-1328},{ -989,-1658,-1728,-1898,-1748},{ -859,-1528,-1598,-1768,-1618}}, +/* UG.C..CG */ +{{ -50, -479, -479, -359, -479},{ -999,-1428,-1428,-1308,-1428},{ -499, -928, -928, -808, -928},{ -989,-1418,-1418,-1298,-1418},{ -789,-1218,-1218,-1098,-1218}}, +/* UG.G..CG */ +{{ -50, -659, -809, -919, -809},{-1079,-1688,-1838,-1948,-1838},{ -569,-1178,-1328,-1438,-1328},{ -989,-1598,-1748,-1858,-1748},{ -859,-1468,-1618,-1728,-1618}}, +/* UG.U..CG */ +{{ -50, -549, -439, -549, -359},{-1079,-1578,-1468,-1578,-1388},{ -719,-1218,-1108,-1218,-1028},{ -989,-1488,-1378,-1488,-1298},{ -909,-1408,-1298,-1408,-1218}} +}, +{ +/* UG.@..GC */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UG.A..GC */ +{{ -50, -719, -789, -959, -809},{ -569,-1238,-1308,-1478,-1328},{ -769,-1438,-1508,-1678,-1528},{ -759,-1428,-1498,-1668,-1518},{ -549,-1218,-1288,-1458,-1308}}, +/* UG.C..GC */ +{{ -50, -479, -479, -359, -479},{ -929,-1358,-1358,-1238,-1358},{ -359, -788, -788, -668, -788},{ -789,-1218,-1218,-1098,-1218},{ -549, -978, -978, -858, -978}}, +/* UG.G..GC */ +{{ -50, -659, -809, -919, -809},{ -609,-1218,-1368,-1478,-1368},{ -359, -968,-1118,-1228,-1118},{ -669,-1278,-1428,-1538,-1428},{ -549,-1158,-1308,-1418,-1308}}, +/* UG.U..GC */ +{{ -50, -549, -439, -549, -359},{ -929,-1428,-1318,-1428,-1238},{ -439, -938, -828, -938, -748},{ -789,-1288,-1178,-1288,-1098},{ -619,-1118,-1008,-1118, -928}} +}, +{ +/* UG.@..GU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UG.A..GU */ +{{ -50, -719, -789, -959, -809},{ -479,-1148,-1218,-1388,-1238},{ -309, -978,-1048,-1218,-1068},{ -389,-1058,-1128,-1298,-1148},{ -379,-1048,-1118,-1288,-1138}}, +/* UG.C..GU */ +{{ -50, -479, -479, -359, -479},{ -649,-1078,-1078, -958,-1078},{ -289, -718, -718, -598, -718},{ -739,-1168,-1168,-1048,-1168},{ -379, -808, -808, -688, -808}}, +/* UG.G..GU */ +{{ -50, -659, -809, -919, -809},{ -649,-1258,-1408,-1518,-1408},{ -289, -898,-1048,-1158,-1048},{ -739,-1348,-1498,-1608,-1498},{ -379, -988,-1138,-1248,-1138}}, +/* UG.U..GU */ +{{ -50, -549, -439, -549, -359},{ -649,-1148,-1038,-1148, -958},{ -289, -788, -678, -788, -598},{ -739,-1238,-1128,-1238,-1048},{ -379, -878, -768, -878, -688}} +}, +{ +/* UG.@..UG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UG.A..UG */ +{{ -50, -719, -789, -959, -809},{ -769,-1438,-1508,-1678,-1528},{ -529,-1198,-1268,-1438,-1288},{ -709,-1378,-1448,-1618,-1468},{ -599,-1268,-1338,-1508,-1358}}, +/* UG.C..UG */ +{{ -50, -479, -479, -359, -479},{ -839,-1268,-1268,-1148,-1268},{ -529, -958, -958, -838, -958},{ -859,-1288,-1288,-1168,-1288},{ -489, -918, -918, -798, -918}}, +/* UG.G..UG */ +{{ -50, -659, -809, -919, -809},{-1009,-1618,-1768,-1878,-1768},{ -409,-1018,-1168,-1278,-1168},{ -969,-1578,-1728,-1838,-1728},{ -599,-1208,-1358,-1468,-1358}}, +/* UG.U..UG */ +{{ -50, -549, -439, -549, -359},{ -859,-1358,-1248,-1358,-1168},{ -529,-1028, -918,-1028, -838},{ -859,-1358,-1248,-1358,-1168},{ -409, -908, -798, -908, -718}} +}, +{ +/* UG.@..AU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UG.A..AU */ +{{ -50, -719, -789, -959, -809},{ -479,-1148,-1218,-1388,-1238},{ -309, -978,-1048,-1218,-1068},{ -389,-1058,-1128,-1298,-1148},{ -379,-1048,-1118,-1288,-1138}}, +/* UG.C..AU */ +{{ -50, -479, -479, -359, -479},{ -649,-1078,-1078, -958,-1078},{ -289, -718, -718, -598, -718},{ -739,-1168,-1168,-1048,-1168},{ -379, -808, -808, -688, -808}}, +/* UG.G..AU */ +{{ -50, -659, -809, -919, -809},{ -649,-1258,-1408,-1518,-1408},{ -289, -898,-1048,-1158,-1048},{ -739,-1348,-1498,-1608,-1498},{ -379, -988,-1138,-1248,-1138}}, +/* UG.U..AU */ +{{ -50, -549, -439, -549, -359},{ -649,-1148,-1038,-1148, -958},{ -289, -788, -678, -788, -598},{ -739,-1238,-1128,-1238,-1048},{ -379, -878, -768, -878, -688}} +}, +{ +/* UG.@..UA */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UG.A..UA */ +{{ -50, -719, -789, -959, -809},{ -449,-1118,-1188,-1358,-1208},{ -479,-1148,-1218,-1388,-1238},{ -429,-1098,-1168,-1338,-1188},{ -329, -998,-1068,-1238,-1088}}, +/* UG.C..UA */ +{{ -50, -479, -479, -359, -479},{ -679,-1108,-1108, -988,-1108},{ -559, -988, -988, -868, -988},{ -729,-1158,-1158,-1038,-1158},{ -189, -618, -618, -498, -618}}, +/* UG.G..UA */ +{{ -50, -659, -809, -919, -809},{ -939,-1548,-1698,-1808,-1698},{ -249, -858,-1008,-1118,-1008},{ -939,-1548,-1698,-1808,-1698},{ -329, -938,-1088,-1198,-1088}}, +/* UG.U..UA */ +{{ -50, -549, -439, -549, -359},{ -639,-1138,-1028,-1138, -948},{ -229, -728, -618, -728, -538},{ -729,-1228,-1118,-1228,-1038},{ -190, -689, -579, -689, -499}} +}, +{ +/* UG.@.. @ */ +{{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UG.A.. @ */ +{{ -100, -769, -839,-1009, -859},{ -100, -769, -839,-1009, -859},{ -100, -769, -839,-1009, -859},{ -100, -769, -839,-1009, -859},{ -100, -769, -839,-1009, -859}}, +/* UG.C.. @ */ +{{ -100, -529, -529, -409, -529},{ -100, -529, -529, -409, -529},{ -100, -529, -529, -409, -529},{ -100, -529, -529, -409, -529},{ -100, -529, -529, -409, -529}}, +/* UG.G.. @ */ +{{ -100, -709, -859, -969, -859},{ -100, -709, -859, -969, -859},{ -100, -709, -859, -969, -859},{ -100, -709, -859, -969, -859},{ -100, -709, -859, -969, -859}}, +/* UG.U.. @ */ +{{ -100, -599, -489, -599, -409},{ -100, -599, -489, -599, -409},{ -100, -599, -489, -599, -409},{ -100, -599, -489, -599, -409},{ -100, -599, -489, -599, -409}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* AU.@..CG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* AU.A..CG */ +{{ -50, -429, -599, -599, -599},{-1079,-1458,-1628,-1628,-1628},{ -569, -948,-1118,-1118,-1118},{ -989,-1368,-1538,-1538,-1538},{ -859,-1238,-1408,-1408,-1408}}, +/* AU.C..CG */ +{{ -50, -259, -239, -239, -239},{ -999,-1208,-1188,-1188,-1188},{ -499, -708, -688, -688, -688},{ -989,-1198,-1178,-1178,-1178},{ -789, -998, -978, -978, -978}}, +/* AU.G..CG */ +{{ -50, -339, -689, -689, -689},{-1079,-1368,-1718,-1718,-1718},{ -569, -858,-1208,-1208,-1208},{ -989,-1278,-1628,-1628,-1628},{ -859,-1148,-1498,-1498,-1498}}, +/* AU.U..CG */ +{{ -50, -329, -329, -329, -329},{-1079,-1358,-1358,-1358,-1358},{ -719, -998, -998, -998, -998},{ -989,-1268,-1268,-1268,-1268},{ -909,-1188,-1188,-1188,-1188}} +}, +{ +/* AU.@..GC */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* AU.A..GC */ +{{ -50, -429, -599, -599, -599},{ -569, -948,-1118,-1118,-1118},{ -769,-1148,-1318,-1318,-1318},{ -759,-1138,-1308,-1308,-1308},{ -549, -928,-1098,-1098,-1098}}, +/* AU.C..GC */ +{{ -50, -259, -239, -239, -239},{ -929,-1138,-1118,-1118,-1118},{ -359, -568, -548, -548, -548},{ -789, -998, -978, -978, -978},{ -549, -758, -738, -738, -738}}, +/* AU.G..GC */ +{{ -50, -339, -689, -689, -689},{ -609, -898,-1248,-1248,-1248},{ -359, -648, -998, -998, -998},{ -669, -958,-1308,-1308,-1308},{ -549, -838,-1188,-1188,-1188}}, +/* AU.U..GC */ +{{ -50, -329, -329, -329, -329},{ -929,-1208,-1208,-1208,-1208},{ -439, -718, -718, -718, -718},{ -789,-1068,-1068,-1068,-1068},{ -619, -898, -898, -898, -898}} +}, +{ +/* AU.@..GU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* AU.A..GU */ +{{ -50, -429, -599, -599, -599},{ -479, -858,-1028,-1028,-1028},{ -309, -688, -858, -858, -858},{ -389, -768, -938, -938, -938},{ -379, -758, -928, -928, -928}}, +/* AU.C..GU */ +{{ -50, -259, -239, -239, -239},{ -649, -858, -838, -838, -838},{ -289, -498, -478, -478, -478},{ -739, -948, -928, -928, -928},{ -379, -588, -568, -568, -568}}, +/* AU.G..GU */ +{{ -50, -339, -689, -689, -689},{ -649, -938,-1288,-1288,-1288},{ -289, -578, -928, -928, -928},{ -739,-1028,-1378,-1378,-1378},{ -379, -668,-1018,-1018,-1018}}, +/* AU.U..GU */ +{{ -50, -329, -329, -329, -329},{ -649, -928, -928, -928, -928},{ -289, -568, -568, -568, -568},{ -739,-1018,-1018,-1018,-1018},{ -379, -658, -658, -658, -658}} +}, +{ +/* AU.@..UG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* AU.A..UG */ +{{ -50, -429, -599, -599, -599},{ -769,-1148,-1318,-1318,-1318},{ -529, -908,-1078,-1078,-1078},{ -709,-1088,-1258,-1258,-1258},{ -599, -978,-1148,-1148,-1148}}, +/* AU.C..UG */ +{{ -50, -259, -239, -239, -239},{ -839,-1048,-1028,-1028,-1028},{ -529, -738, -718, -718, -718},{ -859,-1068,-1048,-1048,-1048},{ -489, -698, -678, -678, -678}}, +/* AU.G..UG */ +{{ -50, -339, -689, -689, -689},{-1009,-1298,-1648,-1648,-1648},{ -409, -698,-1048,-1048,-1048},{ -969,-1258,-1608,-1608,-1608},{ -599, -888,-1238,-1238,-1238}}, +/* AU.U..UG */ +{{ -50, -329, -329, -329, -329},{ -859,-1138,-1138,-1138,-1138},{ -529, -808, -808, -808, -808},{ -859,-1138,-1138,-1138,-1138},{ -409, -688, -688, -688, -688}} +}, +{ +/* AU.@..AU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* AU.A..AU */ +{{ -50, -429, -599, -599, -599},{ -479, -858,-1028,-1028,-1028},{ -309, -688, -858, -858, -858},{ -389, -768, -938, -938, -938},{ -379, -758, -928, -928, -928}}, +/* AU.C..AU */ +{{ -50, -259, -239, -239, -239},{ -649, -858, -838, -838, -838},{ -289, -498, -478, -478, -478},{ -739, -948, -928, -928, -928},{ -379, -588, -568, -568, -568}}, +/* AU.G..AU */ +{{ -50, -339, -689, -689, -689},{ -649, -938,-1288,-1288,-1288},{ -289, -578, -928, -928, -928},{ -739,-1028,-1378,-1378,-1378},{ -379, -668,-1018,-1018,-1018}}, +/* AU.U..AU */ +{{ -50, -329, -329, -329, -329},{ -649, -928, -928, -928, -928},{ -289, -568, -568, -568, -568},{ -739,-1018,-1018,-1018,-1018},{ -379, -658, -658, -658, -658}} +}, +{ +/* AU.@..UA */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* AU.A..UA */ +{{ -50, -429, -599, -599, -599},{ -449, -828, -998, -998, -998},{ -479, -858,-1028,-1028,-1028},{ -429, -808, -978, -978, -978},{ -329, -708, -878, -878, -878}}, +/* AU.C..UA */ +{{ -50, -259, -239, -239, -239},{ -679, -888, -868, -868, -868},{ -559, -768, -748, -748, -748},{ -729, -938, -918, -918, -918},{ -189, -398, -378, -378, -378}}, +/* AU.G..UA */ +{{ -50, -339, -689, -689, -689},{ -939,-1228,-1578,-1578,-1578},{ -249, -538, -888, -888, -888},{ -939,-1228,-1578,-1578,-1578},{ -329, -618, -968, -968, -968}}, +/* AU.U..UA */ +{{ -50, -329, -329, -329, -329},{ -639, -918, -918, -918, -918},{ -229, -508, -508, -508, -508},{ -729,-1008,-1008,-1008,-1008},{ -190, -469, -469, -469, -469}} +}, +{ +/* AU.@.. @ */ +{{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* AU.A.. @ */ +{{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649},{ -100, -479, -649, -649, -649}}, +/* AU.C.. @ */ +{{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289},{ -100, -309, -289, -289, -289}}, +/* AU.G.. @ */ +{{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739},{ -100, -389, -739, -739, -739}}, +/* AU.U.. @ */ +{{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379},{ -100, -379, -379, -379, -379}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* UA.@..CG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UA.A..CG */ +{{ -50, -399, -629, -889, -589},{-1079,-1428,-1658,-1918,-1618},{ -569, -918,-1148,-1408,-1108},{ -989,-1338,-1568,-1828,-1528},{ -859,-1208,-1438,-1698,-1398}}, +/* UA.C..CG */ +{{ -50, -429, -509, -199, -179},{ -999,-1378,-1458,-1148,-1128},{ -499, -878, -958, -648, -628},{ -989,-1368,-1448,-1138,-1118},{ -789,-1168,-1248, -938, -918}}, +/* UA.G..CG */ +{{ -50, -379, -679, -889, -679},{-1079,-1408,-1708,-1918,-1708},{ -569, -898,-1198,-1408,-1198},{ -989,-1318,-1618,-1828,-1618},{ -859,-1188,-1488,-1698,-1488}}, +/* UA.U..CG */ +{{ -50, -279, -139, -279, -140},{-1079,-1308,-1168,-1308,-1169},{ -719, -948, -808, -948, -809},{ -989,-1218,-1078,-1218,-1079},{ -909,-1138, -998,-1138, -999}} +}, +{ +/* UA.@..GC */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UA.A..GC */ +{{ -50, -399, -629, -889, -589},{ -569, -918,-1148,-1408,-1108},{ -769,-1118,-1348,-1608,-1308},{ -759,-1108,-1338,-1598,-1298},{ -549, -898,-1128,-1388,-1088}}, +/* UA.C..GC */ +{{ -50, -429, -509, -199, -179},{ -929,-1308,-1388,-1078,-1058},{ -359, -738, -818, -508, -488},{ -789,-1168,-1248, -938, -918},{ -549, -928,-1008, -698, -678}}, +/* UA.G..GC */ +{{ -50, -379, -679, -889, -679},{ -609, -938,-1238,-1448,-1238},{ -359, -688, -988,-1198, -988},{ -669, -998,-1298,-1508,-1298},{ -549, -878,-1178,-1388,-1178}}, +/* UA.U..GC */ +{{ -50, -279, -139, -279, -140},{ -929,-1158,-1018,-1158,-1019},{ -439, -668, -528, -668, -529},{ -789,-1018, -878,-1018, -879},{ -619, -848, -708, -848, -709}} +}, +{ +/* UA.@..GU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UA.A..GU */ +{{ -50, -399, -629, -889, -589},{ -479, -828,-1058,-1318,-1018},{ -309, -658, -888,-1148, -848},{ -389, -738, -968,-1228, -928},{ -379, -728, -958,-1218, -918}}, +/* UA.C..GU */ +{{ -50, -429, -509, -199, -179},{ -649,-1028,-1108, -798, -778},{ -289, -668, -748, -438, -418},{ -739,-1118,-1198, -888, -868},{ -379, -758, -838, -528, -508}}, +/* UA.G..GU */ +{{ -50, -379, -679, -889, -679},{ -649, -978,-1278,-1488,-1278},{ -289, -618, -918,-1128, -918},{ -739,-1068,-1368,-1578,-1368},{ -379, -708,-1008,-1218,-1008}}, +/* UA.U..GU */ +{{ -50, -279, -139, -279, -140},{ -649, -878, -738, -878, -739},{ -289, -518, -378, -518, -379},{ -739, -968, -828, -968, -829},{ -379, -608, -468, -608, -469}} +}, +{ +/* UA.@..UG */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UA.A..UG */ +{{ -50, -399, -629, -889, -589},{ -769,-1118,-1348,-1608,-1308},{ -529, -878,-1108,-1368,-1068},{ -709,-1058,-1288,-1548,-1248},{ -599, -948,-1178,-1438,-1138}}, +/* UA.C..UG */ +{{ -50, -429, -509, -199, -179},{ -839,-1218,-1298, -988, -968},{ -529, -908, -988, -678, -658},{ -859,-1238,-1318,-1008, -988},{ -489, -868, -948, -638, -618}}, +/* UA.G..UG */ +{{ -50, -379, -679, -889, -679},{-1009,-1338,-1638,-1848,-1638},{ -409, -738,-1038,-1248,-1038},{ -969,-1298,-1598,-1808,-1598},{ -599, -928,-1228,-1438,-1228}}, +/* UA.U..UG */ +{{ -50, -279, -139, -279, -140},{ -859,-1088, -948,-1088, -949},{ -529, -758, -618, -758, -619},{ -859,-1088, -948,-1088, -949},{ -409, -638, -498, -638, -499}} +}, +{ +/* UA.@..AU */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UA.A..AU */ +{{ -50, -399, -629, -889, -589},{ -479, -828,-1058,-1318,-1018},{ -309, -658, -888,-1148, -848},{ -389, -738, -968,-1228, -928},{ -379, -728, -958,-1218, -918}}, +/* UA.C..AU */ +{{ -50, -429, -509, -199, -179},{ -649,-1028,-1108, -798, -778},{ -289, -668, -748, -438, -418},{ -739,-1118,-1198, -888, -868},{ -379, -758, -838, -528, -508}}, +/* UA.G..AU */ +{{ -50, -379, -679, -889, -679},{ -649, -978,-1278,-1488,-1278},{ -289, -618, -918,-1128, -918},{ -739,-1068,-1368,-1578,-1368},{ -379, -708,-1008,-1218,-1008}}, +/* UA.U..AU */ +{{ -50, -279, -139, -279, -140},{ -649, -878, -738, -878, -739},{ -289, -518, -378, -518, -379},{ -739, -968, -828, -968, -829},{ -379, -608, -468, -608, -469}} +}, +{ +/* UA.@..UA */ +{{ 0, 0, 0, 0, 0},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UA.A..UA */ +{{ -50, -399, -629, -889, -589},{ -449, -798,-1028,-1288, -988},{ -479, -828,-1058,-1318,-1018},{ -429, -778,-1008,-1268, -968},{ -329, -678, -908,-1168, -868}}, +/* UA.C..UA */ +{{ -50, -429, -509, -199, -179},{ -679,-1058,-1138, -828, -808},{ -559, -938,-1018, -708, -688},{ -729,-1108,-1188, -878, -858},{ -189, -568, -648, -338, -318}}, +/* UA.G..UA */ +{{ -50, -379, -679, -889, -679},{ -939,-1268,-1568,-1778,-1568},{ -249, -578, -878,-1088, -878},{ -939,-1268,-1568,-1778,-1568},{ -329, -658, -958,-1168, -958}}, +/* UA.U..UA */ +{{ -50, -279, -139, -279, -140},{ -639, -868, -728, -868, -729},{ -229, -458, -318, -458, -319},{ -729, -958, -818, -958, -819},{ -190, -419, -279, -419, -280}} +}, +{ +/* UA.@.. @ */ +{{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50},{ -50, -50, -50, -50, -50}}, +/* UA.A.. @ */ +{{ -100, -449, -679, -939, -639},{ -100, -449, -679, -939, -639},{ -100, -449, -679, -939, -639},{ -100, -449, -679, -939, -639},{ -100, -449, -679, -939, -639}}, +/* UA.C.. @ */ +{{ -100, -479, -559, -249, -229},{ -100, -479, -559, -249, -229},{ -100, -479, -559, -249, -229},{ -100, -479, -559, -249, -229},{ -100, -479, -559, -249, -229}}, +/* UA.G.. @ */ +{{ -100, -429, -729, -939, -729},{ -100, -429, -729, -939, -729},{ -100, -429, -729, -939, -729},{ -100, -429, -729, -939, -729},{ -100, -429, -729, -939, -729}}, +/* UA.U.. @ */ +{{ -100, -329, -189, -329, -190},{ -100, -329, -189, -329, -190},{ -100, -329, -189, -329, -190},{ -100, -329, -189, -329, -190},{ -100, -329, -189, -329, -190}} +} +}, +{ /* noPair */ {{{0}}}, +{ +/* @.@..CG */ +{{ -50, -50, -50, -50, -50},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.A..CG */ +{{ -50, -50, -50, -50, -50},{-1079,-1079,-1079,-1079,-1079},{ -569, -569, -569, -569, -569},{ -989, -989, -989, -989, -989},{ -859, -859, -859, -859, -859}}, +/* @.C..CG */ +{{ -50, -50, -50, -50, -50},{ -999, -999, -999, -999, -999},{ -499, -499, -499, -499, -499},{ -989, -989, -989, -989, -989},{ -789, -789, -789, -789, -789}}, +/* @.G..CG */ +{{ -50, -50, -50, -50, -50},{-1079,-1079,-1079,-1079,-1079},{ -569, -569, -569, -569, -569},{ -989, -989, -989, -989, -989},{ -859, -859, -859, -859, -859}}, +/* @.U..CG */ +{{ -50, -50, -50, -50, -50},{-1079,-1079,-1079,-1079,-1079},{ -719, -719, -719, -719, -719},{ -989, -989, -989, -989, -989},{ -909, -909, -909, -909, -909}} +}, +{ +/* @.@..GC */ +{{ -50, -50, -50, -50, -50},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.A..GC */ +{{ -50, -50, -50, -50, -50},{ -569, -569, -569, -569, -569},{ -769, -769, -769, -769, -769},{ -759, -759, -759, -759, -759},{ -549, -549, -549, -549, -549}}, +/* @.C..GC */ +{{ -50, -50, -50, -50, -50},{ -929, -929, -929, -929, -929},{ -359, -359, -359, -359, -359},{ -789, -789, -789, -789, -789},{ -549, -549, -549, -549, -549}}, +/* @.G..GC */ +{{ -50, -50, -50, -50, -50},{ -609, -609, -609, -609, -609},{ -359, -359, -359, -359, -359},{ -669, -669, -669, -669, -669},{ -549, -549, -549, -549, -549}}, +/* @.U..GC */ +{{ -50, -50, -50, -50, -50},{ -929, -929, -929, -929, -929},{ -439, -439, -439, -439, -439},{ -789, -789, -789, -789, -789},{ -619, -619, -619, -619, -619}} +}, +{ +/* @.@..GU */ +{{ -50, -50, -50, -50, -50},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.A..GU */ +{{ -50, -50, -50, -50, -50},{ -479, -479, -479, -479, -479},{ -309, -309, -309, -309, -309},{ -389, -389, -389, -389, -389},{ -379, -379, -379, -379, -379}}, +/* @.C..GU */ +{{ -50, -50, -50, -50, -50},{ -649, -649, -649, -649, -649},{ -289, -289, -289, -289, -289},{ -739, -739, -739, -739, -739},{ -379, -379, -379, -379, -379}}, +/* @.G..GU */ +{{ -50, -50, -50, -50, -50},{ -649, -649, -649, -649, -649},{ -289, -289, -289, -289, -289},{ -739, -739, -739, -739, -739},{ -379, -379, -379, -379, -379}}, +/* @.U..GU */ +{{ -50, -50, -50, -50, -50},{ -649, -649, -649, -649, -649},{ -289, -289, -289, -289, -289},{ -739, -739, -739, -739, -739},{ -379, -379, -379, -379, -379}} +}, +{ +/* @.@..UG */ +{{ -50, -50, -50, -50, -50},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.A..UG */ +{{ -50, -50, -50, -50, -50},{ -769, -769, -769, -769, -769},{ -529, -529, -529, -529, -529},{ -709, -709, -709, -709, -709},{ -599, -599, -599, -599, -599}}, +/* @.C..UG */ +{{ -50, -50, -50, -50, -50},{ -839, -839, -839, -839, -839},{ -529, -529, -529, -529, -529},{ -859, -859, -859, -859, -859},{ -489, -489, -489, -489, -489}}, +/* @.G..UG */ +{{ -50, -50, -50, -50, -50},{-1009,-1009,-1009,-1009,-1009},{ -409, -409, -409, -409, -409},{ -969, -969, -969, -969, -969},{ -599, -599, -599, -599, -599}}, +/* @.U..UG */ +{{ -50, -50, -50, -50, -50},{ -859, -859, -859, -859, -859},{ -529, -529, -529, -529, -529},{ -859, -859, -859, -859, -859},{ -409, -409, -409, -409, -409}} +}, +{ +/* @.@..AU */ +{{ -50, -50, -50, -50, -50},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.A..AU */ +{{ -50, -50, -50, -50, -50},{ -479, -479, -479, -479, -479},{ -309, -309, -309, -309, -309},{ -389, -389, -389, -389, -389},{ -379, -379, -379, -379, -379}}, +/* @.C..AU */ +{{ -50, -50, -50, -50, -50},{ -649, -649, -649, -649, -649},{ -289, -289, -289, -289, -289},{ -739, -739, -739, -739, -739},{ -379, -379, -379, -379, -379}}, +/* @.G..AU */ +{{ -50, -50, -50, -50, -50},{ -649, -649, -649, -649, -649},{ -289, -289, -289, -289, -289},{ -739, -739, -739, -739, -739},{ -379, -379, -379, -379, -379}}, +/* @.U..AU */ +{{ -50, -50, -50, -50, -50},{ -649, -649, -649, -649, -649},{ -289, -289, -289, -289, -289},{ -739, -739, -739, -739, -739},{ -379, -379, -379, -379, -379}} +}, +{ +/* @.@..UA */ +{{ -50, -50, -50, -50, -50},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.A..UA */ +{{ -50, -50, -50, -50, -50},{ -449, -449, -449, -449, -449},{ -479, -479, -479, -479, -479},{ -429, -429, -429, -429, -429},{ -329, -329, -329, -329, -329}}, +/* @.C..UA */ +{{ -50, -50, -50, -50, -50},{ -679, -679, -679, -679, -679},{ -559, -559, -559, -559, -559},{ -729, -729, -729, -729, -729},{ -189, -189, -189, -189, -189}}, +/* @.G..UA */ +{{ -50, -50, -50, -50, -50},{ -939, -939, -939, -939, -939},{ -249, -249, -249, -249, -249},{ -939, -939, -939, -939, -939},{ -329, -329, -329, -329, -329}}, +/* @.U..UA */ +{{ -50, -50, -50, -50, -50},{ -639, -639, -639, -639, -639},{ -229, -229, -229, -229, -229},{ -729, -729, -729, -729, -729},{ -190, -190, -190, -190, -190}} +}, +{ +/* @.@.. @ */ +{{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.A.. @ */ +{{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.C.. @ */ +{{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.G.. @ */ +{{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}}, +/* @.U.. @ */ +{{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100},{ -100, -100, -100, -100, -100}} +} +} +}; + +const int energy_param::int22_37[8][8][5][5][5][5] = { +/* noPair */ {{{{{0}}}}}, +{ /* noPair */ {{{{0}}}}, +/* CG....CG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 160, 30, 200},{ 340, 120, 150, 20, 200},{ 340, 30, 60, -70, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 200, 60, 200},{ 340, 210, 180, 150, 200},{ 340, 200, 200, 200, 200},{ 340, 190, 170, 130, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 60, -70, 200},{ 340, 200, 200, 200, 200},{ 340, 100, 140, 0, 200},{ 340, -40, -110, -60, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 190, 170, 130, 200},{ 340, 110, 40, 90, 200},{ 340, 140, 80, 130, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 120, 210, 200, 190},{ 340, 110, 140, 200, 120},{ 340, 20, 150, 200, 130},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 180, 200, 170},{ 340, 140, 170, 200, 150},{ 340, 200, 200, 200, 200},{ 340, 120, 150, 200, 140}}, +{{ 340, 340, 340, 340, 340},{ 340, 20, 150, 200, 130},{ 340, 200, 200, 200, 200},{ 340, 90, 180, 200, 170},{ 340, -150, -20, 200, -40}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 120, 150, 200, 140},{ 340, 0, 130, 200, 110},{ 340, 30, 60, 200, 50}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 200, 100, 110},{ 340, 20, 200, 90, 0},{ 340, -70, 200, 0, 90},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 200, 140, 40},{ 340, 150, 200, 180, 130},{ 340, 200, 200, 200, 200},{ 340, 130, 200, 170, 110}}, +{{ 340, 340, 340, 340, 340},{ 340, -70, 200, 0, 90},{ 340, 200, 200, 200, 200},{ 340, 0, 200, 80, 90},{ 340, -60, 200, -70, -260}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 130, 200, 170, 110},{ 340, 90, 200, 90, -110},{ 340, 130, 200, 120, 110}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 190, -40, 140},{ 340, 200, 120, -150, 30},{ 340, 200, 130, -60, 130},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 170, -110, 80},{ 340, 200, 150, -20, 60},{ 340, 200, 200, 200, 200},{ 340, 200, 140, -40, 50}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 130, -60, 130},{ 340, 200, 200, 200, 200},{ 340, 200, 170, -70, 120},{ 340, 200, -40, -420, -50}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 140, -40, 50},{ 340, 200, 110, -260, 110},{ 340, 200, 50, -50, -40}} +} +}, +/* CG....GC */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 60, 0, 200},{ 340, 110, 150, -70, 200},{ 340, -30, 10, -160, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 110, -100, 200},{ 340, 170, 150, -60, 200},{ 340, 200, 200, 200, 200},{ 340, 70, 50, 20, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 40, 50, -70, 200},{ 340, 200, 200, 200, 200},{ 340, 100, 140, 0, 200},{ 340, 10, -70, -80, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 180, 150, 120, 200},{ 340, -50, -60, -60, 200},{ 340, 150, 0, 90, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 220, 200, 200},{ 340, 100, 130, 200, 120},{ 340, -70, 70, 200, 40},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 190, 200, 110},{ 340, 100, 130, 200, 120},{ 340, 200, 200, 200, 200},{ 340, 0, 30, 200, 170}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 70, 200, 100},{ 340, 200, 200, 200, 200},{ 340, 90, 180, 200, 170},{ 340, -190, -30, 200, -70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 110, 140, 200, 120},{ 340, -150, -20, 200, -30},{ 340, -20, -10, 200, 20}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, -20, 200, 110, 90},{ 340, -40, 200, 90, 0},{ 340, -170, 200, -90, 30},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 200, 80, -10},{ 340, 110, 200, 150, 100},{ 340, 200, 200, 200, 200},{ 340, 20, 200, 50, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, -50, 200, -20, 60},{ 340, 200, 200, 200, 200},{ 340, 0, 200, 80, 90},{ 340, -90, 200, -100, -300}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 120, 200, 150, 100},{ 340, -130, 200, -60, -240},{ 340, 90, 200, 110, 60}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, -10, 140},{ 340, 200, 120, -160, 30},{ 340, 200, 40, -160, 50},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 110, -160, 30},{ 340, 200, 120, -60, 30},{ 340, 200, 200, 200, 200},{ 340, 200, 20, -160, 10}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 50, -60, 140},{ 340, 200, 200, 200, 200},{ 340, 200, 170, -70, 120},{ 340, 200, -70, -440, -100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 120, -50, 30},{ 340, 200, -10, -410, 10},{ 340, 200, 40, -100, 60}} +} +}, +/* CG....GU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 100, 200},{ 340, 180, 210, 80, 200},{ 340, 80, 110, -20, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 220, 90, 200},{ 340, 230, 210, 170, 200},{ 340, 200, 200, 200, 200},{ 340, 230, 210, 170, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 110, -20, 200},{ 340, 200, 200, 200, 200},{ 340, 130, 170, 30, 200},{ 340, 60, 0, 40, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 230, 210, 170, 200},{ 340, 160, 90, 140, 200},{ 340, 190, 130, 180, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 280, 200, 270},{ 340, 170, 200, 200, 180},{ 340, 70, 200, 200, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 210, 200, 190},{ 340, 160, 190, 200, 180},{ 340, 200, 200, 200, 200},{ 340, 160, 190, 200, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 200, 200, 180},{ 340, 200, 200, 200, 200},{ 340, 120, 210, 200, 200},{ 340, -50, 80, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 190, 200, 180},{ 340, 50, 180, 200, 160},{ 340, 80, 110, 200, 100}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 180, 180},{ 340, 80, 200, 150, 60},{ 340, -20, 200, 50, 140},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 200, 160, 70},{ 340, 170, 200, 210, 150},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 210, 150}}, +{{ 340, 340, 340, 340, 340},{ 340, -20, 200, 50, 140},{ 340, 200, 200, 200, 200},{ 340, 30, 200, 110, 110},{ 340, 40, 200, 40, -160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 210, 150},{ 340, 140, 200, 130, -60},{ 340, 180, 200, 170, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 30, 220},{ 340, 200, 180, -90, 90},{ 340, 200, 180, -10, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 190, -80, 100},{ 340, 200, 180, 0, 90},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 0, 90}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 180, -10, 180},{ 340, 200, 200, 200, 200},{ 340, 200, 200, -40, 150},{ 340, 200, 70, -310, 60}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 0, 90},{ 340, 200, 160, -210, 160},{ 340, 200, 100, 0, 10}} +} +}, +/* CG....UG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 100, 200},{ 340, 160, 190, 60, 200},{ 340, 100, 130, 0, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 100, 200},{ 340, 260, 240, 200, 200},{ 340, 200, 200, 200, 200},{ 340, 260, 240, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 130, 0, 200},{ 340, 200, 200, 200, 200},{ 340, 140, 170, 40, 200},{ 340, 20, -40, 0, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 230, 210, 170, 200},{ 340, 150, 80, 130, 200},{ 340, 220, 150, 200, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 280, 200, 270},{ 340, 150, 180, 200, 160},{ 340, 90, 220, 200, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 220, 200, 210},{ 340, 190, 220, 200, 210},{ 340, 200, 200, 200, 200},{ 340, 190, 220, 200, 210}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 220, 200, 200},{ 340, 200, 200, 200, 200},{ 340, 130, 220, 200, 200},{ 340, -90, 40, 200, 30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 190, 200, 180},{ 340, 40, 170, 200, 150},{ 340, 110, 140, 200, 120}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 180, 180},{ 340, 60, 200, 130, 40},{ 340, 0, 200, 70, 160},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 180, 80},{ 340, 200, 200, 240, 180},{ 340, 200, 200, 200, 200},{ 340, 200, 200, 240, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 0, 200, 70, 160},{ 340, 200, 200, 200, 200},{ 340, 40, 200, 110, 120},{ 340, 0, 200, 0, -200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 210, 150},{ 340, 130, 200, 120, -70},{ 340, 200, 200, 190, 180}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 30, 220},{ 340, 200, 160, -110, 70},{ 340, 200, 200, 10, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 210, -70, 120},{ 340, 200, 210, 30, 120},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 30, 120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 10, 190},{ 340, 200, 200, 200, 200},{ 340, 200, 200, -30, 150},{ 340, 200, 30, -350, 20}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 0, 90},{ 340, 200, 150, -220, 150},{ 340, 200, 120, 30, 30}} +} +}, +/* CG....AU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 100, 200},{ 340, 180, 210, 80, 200},{ 340, 80, 110, -20, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 220, 90, 200},{ 340, 230, 210, 170, 200},{ 340, 200, 200, 200, 200},{ 340, 230, 210, 170, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 110, -20, 200},{ 340, 200, 200, 200, 200},{ 340, 130, 170, 30, 200},{ 340, 60, 0, 40, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 230, 210, 170, 200},{ 340, 160, 90, 140, 200},{ 340, 190, 130, 180, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 280, 200, 270},{ 340, 170, 200, 200, 180},{ 340, 70, 200, 200, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 210, 200, 190},{ 340, 160, 190, 200, 180},{ 340, 200, 200, 200, 200},{ 340, 160, 190, 200, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 200, 200, 180},{ 340, 200, 200, 200, 200},{ 340, 120, 210, 200, 200},{ 340, -50, 80, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 190, 200, 180},{ 340, 50, 180, 200, 160},{ 340, 80, 110, 200, 100}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 180, 180},{ 340, 80, 200, 150, 60},{ 340, -20, 200, 50, 140},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 200, 160, 70},{ 340, 170, 200, 210, 150},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 210, 150}}, +{{ 340, 340, 340, 340, 340},{ 340, -20, 200, 50, 140},{ 340, 200, 200, 200, 200},{ 340, 30, 200, 110, 110},{ 340, 40, 200, 40, -160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 210, 150},{ 340, 140, 200, 130, -60},{ 340, 180, 200, 170, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 30, 220},{ 340, 200, 180, -90, 90},{ 340, 200, 180, -10, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 190, -80, 100},{ 340, 200, 180, 0, 90},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 0, 90}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 180, -10, 180},{ 340, 200, 200, 200, 200},{ 340, 200, 200, -40, 150},{ 340, 200, 70, -310, 60}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 0, 90},{ 340, 200, 160, -210, 160},{ 340, 200, 100, 0, 10}} +} +}, +/* CG....UA */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 100, 200},{ 340, 160, 190, 60, 200},{ 340, 100, 130, 0, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 100, 200},{ 340, 260, 240, 200, 200},{ 340, 200, 200, 200, 200},{ 340, 260, 240, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 130, 0, 200},{ 340, 200, 200, 200, 200},{ 340, 140, 170, 40, 200},{ 340, 20, -40, 0, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 230, 210, 170, 200},{ 340, 150, 80, 130, 200},{ 340, 220, 150, 200, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 280, 200, 270},{ 340, 150, 180, 200, 160},{ 340, 90, 220, 200, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 220, 200, 210},{ 340, 190, 220, 200, 210},{ 340, 200, 200, 200, 200},{ 340, 190, 220, 200, 210}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 220, 200, 200},{ 340, 200, 200, 200, 200},{ 340, 130, 220, 200, 200},{ 340, -90, 40, 200, 30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 190, 200, 180},{ 340, 40, 170, 200, 150},{ 340, 110, 140, 200, 120}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 180, 180},{ 340, 60, 200, 130, 40},{ 340, 0, 200, 70, 160},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 180, 80},{ 340, 200, 200, 240, 180},{ 340, 200, 200, 200, 200},{ 340, 200, 200, 240, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 0, 200, 70, 160},{ 340, 200, 200, 200, 200},{ 340, 40, 200, 110, 120},{ 340, 0, 200, 0, -200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 210, 150},{ 340, 130, 200, 120, -70},{ 340, 200, 200, 190, 180}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 30, 220},{ 340, 200, 160, -110, 70},{ 340, 200, 200, 10, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 210, -70, 120},{ 340, 200, 210, 30, 120},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 30, 120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 10, 190},{ 340, 200, 200, 200, 200},{ 340, 200, 200, -30, 150},{ 340, 200, 30, -350, 20}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 0, 90},{ 340, 200, 150, -220, 150},{ 340, 200, 120, 30, 30}} +} +}, +/* CG....?? */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +} +}, +{ /* noPair */ {{{{0}}}}, +/* GC....CG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 110, 40, 200},{ 340, 130, 100, 70, 200},{ 340, -20, 70, -50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 110, 50, 200},{ 340, 220, 190, 70, 200},{ 340, 200, 200, 200, 200},{ 340, 200, 110, 50, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 0, -100, -70, 200},{ 340, 200, 200, 200, 200},{ 340, 110, 80, -20, 200},{ 340, -10, -160, -60, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 110, 100, 200},{ 340, 90, -10, 60, 200},{ 340, 140, 30, 140, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 170, 200, 180},{ 340, 100, 100, 200, 110},{ 340, -40, 110, 200, 120},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 150, 200, 150},{ 340, 130, 130, 200, 140},{ 340, 200, 200, 200, 200},{ 340, 120, 120, 200, 120}}, +{{ 340, 340, 340, 340, 340},{ 340, -70, -60, 200, 120},{ 340, 200, 200, 200, 200},{ 340, 90, 150, 200, 150},{ 340, -160, -60, 200, -50}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 120, 120, 200, 120},{ 340, 0, 100, 200, 100},{ 340, 30, 30, 200, 30}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, -30, 200, 100, -50},{ 340, -70, 200, 90, -150},{ 340, -170, 200, 0, -130},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, 200, 140, -60},{ 340, 70, 200, 180, -20},{ 340, 200, 200, 200, 200},{ 340, 40, 200, 170, -10}}, +{{ 340, 340, 340, 340, 340},{ 340, -160, 200, 0, -60},{ 340, 200, 200, 200, 200},{ 340, -90, 200, 80, -60},{ 340, -160, 200, -70, -410}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 40, 200, 170, -30},{ 340, 30, 200, 90, -240},{ 340, 50, 200, 120, 10}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 70, 10, 150},{ 340, 200, 0, -190, -20},{ 340, 200, 20, -90, 90},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 50, -70, 0},{ 340, 200, 30, -30, -10},{ 340, 200, 200, 200, 200},{ 340, 200, 20, -70, 40}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 20, -80, 90},{ 340, 200, 200, 200, 200},{ 340, 200, 50, -100, 110},{ 340, 200, -160, -440, -100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 170, -70, 20},{ 340, 200, 0, -300, 60},{ 340, 200, 10, -100, 60}} +} +}, +/* GC....GC */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 120, 10, 200},{ 340, 120, 90, -10, 200},{ 340, -50, -80, -190, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 120, 90, -20, 200},{ 340, 180, 90, 90, 200},{ 340, 200, 200, 200, 200},{ 340, 80, 0, -10, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, -20, -130, 200},{ 340, 200, 200, 200, 200},{ 340, 110, 80, -20, 200},{ 340, -70, -200, -130, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 190, 100, 90, 200},{ 340, -30, -160, -90, 200},{ 340, 150, 20, 90, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 120, 180, 200, 190},{ 340, 100, 100, 200, 100},{ 340, -80, 20, 200, 30},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 90, 200, 100},{ 340, 100, 100, 200, 100},{ 340, 200, 200, 200, 200},{ 340, 0, 0, 200, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, -10, 90, 200, 90},{ 340, 200, 200, 200, 200},{ 340, 90, 150, 200, 150},{ 340, -190, -90, 200, -90}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 100, 100, 200, 110},{ 340, -150, -50, 200, -50},{ 340, 20, 20, 200, 30}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, -50, 200, 110, -30},{ 340, -80, 200, 90, -150},{ 340, -260, 200, -90, -150},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, -80, 200, 80, -160},{ 340, 20, 200, 150, -50},{ 340, 200, 200, 200, 200},{ 340, -80, 200, 50, -150}}, +{{ 340, 340, 340, 340, 340},{ 340, -190, 200, -20, -90},{ 340, 200, 200, 200, 200},{ 340, -90, 200, 80, -60},{ 340, -190, 200, -100, -450}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 30, 200, 150, -50},{ 340, -150, 200, -60, -410},{ 340, 30, 200, 110, -50}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 80, -70, 150},{ 340, 200, 0, -190, 20},{ 340, 200, -80, -190, 30},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 0, -200, 20},{ 340, 200, 0, -90, 20},{ 340, 200, 200, 200, 200},{ 340, 200, -100, -190, -70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, -10, -130, 90},{ 340, 200, 200, 200, 200},{ 340, 200, 50, -100, 110},{ 340, 200, -190, -490, -90}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 0, -90, 30},{ 340, 200, -150, -450, -50},{ 340, 200, -70, -90, -50}} +} +}, +/* GC....GU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 180, 70, 200},{ 340, 190, 160, 50, 200},{ 340, 90, 60, -50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 170, 60, 200},{ 340, 240, 150, 140, 200},{ 340, 200, 200, 200, 200},{ 340, 240, 150, 140, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 60, -50, 200},{ 340, 200, 200, 200, 200},{ 340, 140, 110, 0, 200},{ 340, 70, -60, 10, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 150, 140, 200},{ 340, 170, 40, 110, 200},{ 340, 200, 70, 150, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 250, 200, 250},{ 340, 160, 160, 200, 170},{ 340, 60, 160, 200, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 170, 200, 180},{ 340, 160, 160, 200, 160},{ 340, 200, 200, 200, 200},{ 340, 160, 160, 200, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 160, 200, 170},{ 340, 200, 200, 200, 200},{ 340, 120, 180, 200, 180},{ 340, -50, 50, 200, 50}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 160, 200, 160},{ 340, 40, 140, 200, 150},{ 340, 80, 80, 200, 80}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, 200, 180, 40},{ 340, -10, 200, 150, -90},{ 340, -110, 200, 50, -10},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 0, 200, 160, -80},{ 340, 80, 200, 210, 10},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 210, 10}}, +{{ 340, 340, 340, 340, 340},{ 340, -110, 200, 50, -10},{ 340, 200, 200, 200, 200},{ 340, -60, 200, 110, -30},{ 340, -50, 200, 40, -310}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 210, 10},{ 340, 50, 200, 130, -210},{ 340, 80, 200, 170, 10}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 150, 0, 210},{ 340, 200, 60, -130, 90},{ 340, 200, 70, -50, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 70, -120, 100},{ 340, 200, 60, -30, 80},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -30, 80}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 70, -50, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 80, -70, 140},{ 340, 200, -50, -350, 50}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -30, 80},{ 340, 200, 50, -250, 150},{ 340, 200, -20, -30, 0}} +} +}, +/* GC....UG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 180, 70, 200},{ 340, 170, 140, 30, 200},{ 340, 110, 80, -30, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 180, 70, 200},{ 340, 270, 180, 170, 200},{ 340, 200, 200, 200, 200},{ 340, 270, 180, 170, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 80, -30, 200},{ 340, 200, 200, 200, 200},{ 340, 150, 120, 10, 200},{ 340, 30, -100, -30, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 150, 140, 200},{ 340, 160, 30, 100, 200},{ 340, 230, 100, 170, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 250, 200, 250},{ 340, 140, 140, 200, 150},{ 340, 80, 180, 200, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 190, 200, 190},{ 340, 190, 190, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 190, 190, 200, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 180, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 120, 180, 200, 190},{ 340, -90, 10, 200, 10}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 160, 200, 160},{ 340, 30, 130, 200, 140},{ 340, 100, 100, 200, 110}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, 200, 180, 40},{ 340, -30, 200, 130, -110},{ 340, -90, 200, 70, 10},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, 200, 180, -60},{ 340, 110, 200, 240, 40},{ 340, 200, 200, 200, 200},{ 340, 110, 200, 240, 40}}, +{{ 340, 340, 340, 340, 340},{ 340, -90, 200, 70, 10},{ 340, 200, 200, 200, 200},{ 340, -50, 200, 110, -30},{ 340, -90, 200, 0, -350}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 210, 10},{ 340, 40, 200, 120, -220},{ 340, 110, 200, 190, 30}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 150, 0, 210},{ 340, 200, 40, -150, 70},{ 340, 200, 90, -30, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 90, -100, 110},{ 340, 200, 90, 0, 110},{ 340, 200, 200, 200, 200},{ 340, 200, 90, 0, 110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 90, -30, 190},{ 340, 200, 200, 200, 200},{ 340, 200, 80, -70, 150},{ 340, 200, -90, -390, 10}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -30, 80},{ 340, 200, 40, -260, 140},{ 340, 200, 0, -10, 30}} +} +}, +/* GC....AU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 180, 70, 200},{ 340, 190, 160, 50, 200},{ 340, 90, 60, -50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 170, 60, 200},{ 340, 240, 150, 140, 200},{ 340, 200, 200, 200, 200},{ 340, 240, 150, 140, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 60, -50, 200},{ 340, 200, 200, 200, 200},{ 340, 140, 110, 0, 200},{ 340, 70, -60, 10, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 150, 140, 200},{ 340, 170, 40, 110, 200},{ 340, 200, 70, 150, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 250, 200, 250},{ 340, 160, 160, 200, 170},{ 340, 60, 160, 200, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 170, 200, 180},{ 340, 160, 160, 200, 160},{ 340, 200, 200, 200, 200},{ 340, 160, 160, 200, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 160, 200, 170},{ 340, 200, 200, 200, 200},{ 340, 120, 180, 200, 180},{ 340, -50, 50, 200, 50}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 160, 200, 160},{ 340, 40, 140, 200, 150},{ 340, 80, 80, 200, 80}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, 200, 180, 40},{ 340, -10, 200, 150, -90},{ 340, -110, 200, 50, -10},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 0, 200, 160, -80},{ 340, 80, 200, 210, 10},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 210, 10}}, +{{ 340, 340, 340, 340, 340},{ 340, -110, 200, 50, -10},{ 340, 200, 200, 200, 200},{ 340, -60, 200, 110, -30},{ 340, -50, 200, 40, -310}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 210, 10},{ 340, 50, 200, 130, -210},{ 340, 80, 200, 170, 10}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 150, 0, 210},{ 340, 200, 60, -130, 90},{ 340, 200, 70, -50, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 70, -120, 100},{ 340, 200, 60, -30, 80},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -30, 80}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 70, -50, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 80, -70, 140},{ 340, 200, -50, -350, 50}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -30, 80},{ 340, 200, 50, -250, 150},{ 340, 200, -20, -30, 0}} +} +}, +/* GC....UA */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 180, 70, 200},{ 340, 170, 140, 30, 200},{ 340, 110, 80, -30, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 180, 70, 200},{ 340, 270, 180, 170, 200},{ 340, 200, 200, 200, 200},{ 340, 270, 180, 170, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 80, -30, 200},{ 340, 200, 200, 200, 200},{ 340, 150, 120, 10, 200},{ 340, 30, -100, -30, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 150, 140, 200},{ 340, 160, 30, 100, 200},{ 340, 230, 100, 170, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 250, 200, 250},{ 340, 140, 140, 200, 150},{ 340, 80, 180, 200, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 190, 200, 190},{ 340, 190, 190, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 190, 190, 200, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 180, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 120, 180, 200, 190},{ 340, -90, 10, 200, 10}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 160, 200, 160},{ 340, 30, 130, 200, 140},{ 340, 100, 100, 200, 110}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, 200, 180, 40},{ 340, -30, 200, 130, -110},{ 340, -90, 200, 70, 10},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 10, 200, 180, -60},{ 340, 110, 200, 240, 40},{ 340, 200, 200, 200, 200},{ 340, 110, 200, 240, 40}}, +{{ 340, 340, 340, 340, 340},{ 340, -90, 200, 70, 10},{ 340, 200, 200, 200, 200},{ 340, -50, 200, 110, -30},{ 340, -90, 200, 0, -350}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 210, 10},{ 340, 40, 200, 120, -220},{ 340, 110, 200, 190, 30}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 150, 0, 210},{ 340, 200, 40, -150, 70},{ 340, 200, 90, -30, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 90, -100, 110},{ 340, 200, 90, 0, 110},{ 340, 200, 200, 200, 200},{ 340, 200, 90, 0, 110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 90, -30, 190},{ 340, 200, 200, 200, 200},{ 340, 200, 80, -70, 150},{ 340, 200, -90, -390, 10}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -30, 80},{ 340, 200, 40, -260, 140},{ 340, 200, 0, -10, 30}} +} +}, +/* GC....?? */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +} +}, +{ /* noPair */ {{{{0}}}}, +/* GU....CG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 190, 80, 200},{ 340, 190, 180, 70, 200},{ 340, 100, 90, -20, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 220, 110, 200},{ 340, 280, 210, 200, 200},{ 340, 200, 200, 200, 200},{ 340, 270, 190, 180, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 90, -20, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 160, 50, 200},{ 340, 30, -80, -10, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 270, 190, 180, 200},{ 340, 180, 70, 140, 200},{ 340, 220, 100, 180, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 230, 200, 230},{ 340, 170, 160, 200, 160},{ 340, 80, 170, 200, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 210, 200, 210},{ 340, 200, 190, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 200, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 170, 200, 170},{ 340, 200, 200, 200, 200},{ 340, 150, 210, 200, 210},{ 340, -90, 0, 200, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 200, 180},{ 340, 60, 150, 200, 150},{ 340, 90, 90, 200, 90}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 200, 130, 160},{ 340, 70, 200, 120, 50},{ 340, -20, 200, 30, 140},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 200, 170, 90},{ 340, 200, 200, 210, 180},{ 340, 200, 200, 200, 200},{ 340, 180, 200, 200, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, -20, 200, 30, 140},{ 340, 200, 200, 200, 200},{ 340, 50, 200, 110, 130},{ 340, -10, 200, -40, -210}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 180, 200, 200, 160},{ 340, 140, 200, 110, -60},{ 340, 180, 200, 150, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 230, 60, 190},{ 340, 200, 160, -50, 80},{ 340, 200, 170, 40, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 210, 0, 130},{ 340, 200, 190, 80, 110},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 70, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 170, 40, 180},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 40, 170},{ 340, 200, 0, -310, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 70, 100},{ 340, 200, 150, -160, 160},{ 340, 200, 90, 60, 10}} +} +}, +/* GU....GC */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 200, 90, 200},{ 340, 190, 170, 60, 200},{ 340, 10, 0, -110, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 170, 60, 200},{ 340, 250, 170, 160, 200},{ 340, 200, 200, 200, 200},{ 340, 150, 70, 70, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 60, -50, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 160, 50, 200},{ 340, 0, -120, -50, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 250, 180, 170, 200},{ 340, 40, -80, -10, 200},{ 340, 210, 100, 170, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 240, 200, 240},{ 340, 160, 160, 200, 160},{ 340, -10, 80, 200, 80},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 150, 200, 150},{ 340, 160, 160, 200, 160},{ 340, 200, 200, 200, 200},{ 340, 60, 60, 200, 60}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 140, 200, 140},{ 340, 200, 200, 200, 200},{ 340, 150, 210, 200, 210},{ 340, -130, -30, 200, -30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 160, 200, 160},{ 340, -90, 10, 200, 10},{ 340, 90, 80, 200, 80}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 200, 140, 170},{ 340, 60, 200, 120, 40},{ 340, -110, 200, -60, 50},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 200, 110, 40},{ 340, 160, 200, 180, 140},{ 340, 200, 200, 200, 200},{ 340, 70, 200, 80, 50}}, +{{ 340, 340, 340, 340, 340},{ 340, -50, 200, 0, 110},{ 340, 200, 200, 200, 200},{ 340, 50, 200, 110, 130},{ 340, -50, 200, -70, -250}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 180, 150},{ 340, -10, 200, -30, -210},{ 340, 170, 200, 140, 150}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 70, 200},{ 340, 200, 160, -50, 80},{ 340, 200, 80, -50, 80},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 150, -60, 70},{ 340, 200, 160, 50, 80},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -50, -20}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 140, 10, 150},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 40, 170},{ 340, 200, -30, -350, -30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 160, 50, 80},{ 340, 200, 10, -310, 10},{ 340, 200, 80, 50, 0}} +} +}, +/* GU....GU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 250, 240, 130, 200},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 260, 250, 140, 200},{ 340, 310, 230, 220, 200},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 190, 80, 200},{ 340, 130, 20, 90, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 230, 120, 190, 200},{ 340, 270, 150, 220, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 230, 220, 200, 220},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 230, 200, 230},{ 340, 220, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 180, 240, 200, 240},{ 340, 10, 100, 200, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 110, 200, 200, 200},{ 340, 140, 140, 200, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 130, 200, 180, 110},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 140, 200, 190, 120},{ 340, 220, 200, 240, 200},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 140, 160},{ 340, 90, 200, 70, -110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 190, 200, 160, -10},{ 340, 220, 200, 200, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 220, 10, 140},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 230, 20, 150},{ 340, 200, 220, 100, 140},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 100, -210, 110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 200, -110, 200},{ 340, 200, 140, 110, 60}} +} +}, +/* GU....UG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 230, 220, 110, 200},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 340, 260, 250, 200},{ 340, 200, 200, 200, 200},{ 340, 340, 260, 250, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 200, 90, 200},{ 340, 100, -20, 50, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 220, 110, 180, 200},{ 340, 290, 180, 250, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 210, 200, 200, 200},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 250, 200, 250},{ 340, 250, 250, 200, 250},{ 340, 200, 200, 200, 200},{ 340, 250, 250, 200, 250}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200},{ 340, 190, 240, 200, 240},{ 340, -30, 70, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 100, 190, 200, 190},{ 340, 170, 160, 200, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 110, 200, 160, 90},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 130},{ 340, 250, 200, 270, 230},{ 340, 200, 200, 200, 200},{ 340, 250, 200, 270, 230}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200},{ 340, 90, 200, 140, 170},{ 340, 50, 200, 30, -150}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 180, 200, 150, -20},{ 340, 250, 200, 220, 230}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 200, -10, 120},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 30, 170},{ 340, 200, 250, 130, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 130, 170}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 70, -250, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 190, -120, 190},{ 340, 200, 160, 130, 80}} +} +}, +/* GU....AU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 250, 240, 130, 200},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 260, 250, 140, 200},{ 340, 310, 230, 220, 200},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 190, 80, 200},{ 340, 130, 20, 90, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 230, 120, 190, 200},{ 340, 270, 150, 220, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 230, 220, 200, 220},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 230, 200, 230},{ 340, 220, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 180, 240, 200, 240},{ 340, 10, 100, 200, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 110, 200, 200, 200},{ 340, 140, 140, 200, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 130, 200, 180, 110},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 140, 200, 190, 120},{ 340, 220, 200, 240, 200},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 140, 160},{ 340, 90, 200, 70, -110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 190, 200, 160, -10},{ 340, 220, 200, 200, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 220, 10, 140},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 230, 20, 150},{ 340, 200, 220, 100, 140},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 100, -210, 110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 200, -110, 200},{ 340, 200, 140, 110, 60}} +} +}, +/* GU....UA */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 230, 220, 110, 200},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 340, 260, 250, 200},{ 340, 200, 200, 200, 200},{ 340, 340, 260, 250, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 200, 90, 200},{ 340, 100, -20, 50, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 220, 110, 180, 200},{ 340, 290, 180, 250, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 210, 200, 200, 200},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 250, 200, 250},{ 340, 250, 250, 200, 250},{ 340, 200, 200, 200, 200},{ 340, 250, 250, 200, 250}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200},{ 340, 190, 240, 200, 240},{ 340, -30, 70, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 100, 190, 200, 190},{ 340, 170, 160, 200, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 110, 200, 160, 90},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 130},{ 340, 250, 200, 270, 230},{ 340, 200, 200, 200, 200},{ 340, 250, 200, 270, 230}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200},{ 340, 90, 200, 140, 170},{ 340, 50, 200, 30, -150}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 180, 200, 150, -20},{ 340, 250, 200, 220, 230}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 200, -10, 120},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 30, 170},{ 340, 200, 250, 130, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 130, 170}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 70, -250, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 190, -120, 190},{ 340, 200, 160, 130, 80}} +} +}, +/* GU....?? */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +} +}, +{ /* noPair */ {{{{0}}}}, +/* UG....CG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 100, 200},{ 340, 190, 190, 90, 200},{ 340, 100, 100, 0, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 240, 130, 200},{ 340, 280, 220, 220, 200},{ 340, 200, 200, 200, 200},{ 340, 270, 210, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 100, 0, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 70, 200},{ 340, 30, -70, 10, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 270, 210, 200, 200},{ 340, 180, 80, 160, 200},{ 340, 220, 120, 190, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 260, 200, 230},{ 340, 150, 190, 200, 160},{ 340, 60, 200, 200, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 240, 200, 210},{ 340, 180, 220, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 160, 210, 200, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 200, 200, 170},{ 340, 200, 200, 200, 200},{ 340, 130, 240, 200, 210},{ 340, -110, 30, 200, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 210, 200, 180},{ 340, 40, 180, 200, 150},{ 340, 70, 120, 200, 90}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 140, 150},{ 340, 90, 200, 130, 40},{ 340, 0, 200, 40, 130},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 200, 170, 80},{ 340, 220, 200, 220, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 200, 200, 150}}, +{{ 340, 340, 340, 340, 340},{ 340, 0, 200, 40, 130},{ 340, 200, 200, 200, 200},{ 340, 70, 200, 110, 120},{ 340, 10, 200, -30, -220}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 200, 200, 150},{ 340, 160, 200, 120, -70},{ 340, 190, 200, 150, 150}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 260, 20, 220},{ 340, 200, 190, -90, 110},{ 340, 200, 200, 0, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, -40, 150},{ 340, 200, 220, 40, 140},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 30, 120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 0, 200},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 0, 190},{ 340, 200, 30, -350, 30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 30, 120},{ 340, 200, 180, -200, 180},{ 340, 200, 120, 20, 30}} +} +}, +/* UG....GC */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 210, 110, 200},{ 340, 190, 190, 80, 200},{ 340, 10, 10, -90, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 180, 80, 200},{ 340, 250, 190, 180, 200},{ 340, 200, 200, 200, 200},{ 340, 150, 90, 90, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 70, -30, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 70, 200},{ 340, 0, -100, -30, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 250, 190, 190, 200},{ 340, 40, -60, 10, 200},{ 340, 210, 110, 190, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 270, 200, 240},{ 340, 140, 190, 200, 160},{ 340, -30, 110, 200, 80},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 140, 180, 200, 150},{ 340, 140, 190, 200, 160},{ 340, 200, 200, 200, 200},{ 340, 40, 90, 200, 60}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 170, 200, 140},{ 340, 200, 200, 200, 200},{ 340, 130, 240, 200, 210},{ 340, -150, 0, 200, -30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 150, 190, 200, 160},{ 340, -110, 40, 200, 10},{ 340, 70, 110, 200, 80}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 200, 150, 160},{ 340, 80, 200, 120, 30},{ 340, -90, 200, -50, 40},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 200, 120, 30},{ 340, 180, 200, 180, 130},{ 340, 200, 200, 200, 200},{ 340, 90, 200, 80, 40}}, +{{ 340, 340, 340, 340, 340},{ 340, -30, 200, 10, 100},{ 340, 200, 200, 200, 200},{ 340, 70, 200, 110, 120},{ 340, -30, 200, -70, -260}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 190, 200, 190, 140},{ 340, 10, 200, -30, -220},{ 340, 190, 200, 150, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 30, 230},{ 340, 200, 190, -90, 100},{ 340, 200, 110, -90, 110},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 180, -100, 100},{ 340, 200, 190, 10, 100},{ 340, 200, 200, 200, 200},{ 340, 200, 90, -90, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 170, -30, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 0, 190},{ 340, 200, 0, -390, -10}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 190, 10, 110},{ 340, 200, 40, -350, 30},{ 340, 200, 110, 10, 30}} +} +}, +/* UG....GU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 250, 250, 150, 200},{ 340, 150, 150, 50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 260, 260, 160, 200},{ 340, 310, 250, 240, 200},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 150, 50, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 210, 100, 200},{ 340, 130, 30, 110, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200},{ 340, 230, 130, 210, 200},{ 340, 270, 170, 240, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 340, 200, 310},{ 340, 210, 250, 200, 220},{ 340, 110, 250, 200, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 220, 260, 200, 230},{ 340, 200, 250, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 250, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 160, 270, 200, 240},{ 340, -10, 130, 200, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220},{ 340, 90, 230, 200, 200},{ 340, 120, 170, 200, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 220},{ 340, 150, 200, 190, 100},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 200, 200, 110},{ 340, 240, 200, 240, 190},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200},{ 340, 100, 200, 140, 150},{ 340, 110, 200, 70, -120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190},{ 340, 210, 200, 170, -20},{ 340, 240, 200, 200, 190}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 340, 100, 290},{ 340, 200, 250, -30, 170},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 260, -20, 180},{ 340, 200, 250, 70, 160},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200},{ 340, 200, 270, 30, 220},{ 340, 200, 130, -250, 130}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160},{ 340, 200, 230, -150, 230},{ 340, 200, 170, 70, 80}} +} +}, +/* UG....UG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 230, 230, 130, 200},{ 340, 170, 170, 70, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 340, 280, 270, 200},{ 340, 200, 200, 200, 200},{ 340, 340, 280, 270, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 170, 70, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 210, 110, 200},{ 340, 100, 0, 70, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200},{ 340, 220, 120, 200, 200},{ 340, 290, 190, 270, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 340, 200, 310},{ 340, 190, 230, 200, 200},{ 340, 130, 270, 200, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 280, 200, 250},{ 340, 230, 280, 200, 250},{ 340, 200, 200, 200, 200},{ 340, 230, 280, 200, 250}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 270, 200, 240},{ 340, 200, 200, 200, 200},{ 340, 170, 270, 200, 240},{ 340, -50, 100, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220},{ 340, 80, 220, 200, 190},{ 340, 150, 190, 200, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 220},{ 340, 130, 200, 170, 80},{ 340, 70, 200, 110, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 120},{ 340, 270, 200, 270, 220},{ 340, 200, 200, 200, 200},{ 340, 270, 200, 270, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 200, 110, 200},{ 340, 200, 200, 200, 200},{ 340, 110, 200, 150, 160},{ 340, 70, 200, 30, -160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190},{ 340, 200, 200, 160, -30},{ 340, 270, 200, 230, 220}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 340, 100, 290},{ 340, 200, 230, -50, 150},{ 340, 200, 270, 70, 270},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 280, 0, 190},{ 340, 200, 280, 100, 190},{ 340, 200, 200, 200, 200},{ 340, 200, 280, 100, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 70, 270},{ 340, 200, 200, 200, 200},{ 340, 200, 270, 30, 230},{ 340, 200, 100, -290, 90}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160},{ 340, 200, 220, -160, 220},{ 340, 200, 190, 90, 110}} +} +}, +/* UG....AU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 250, 250, 150, 200},{ 340, 150, 150, 50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 260, 260, 160, 200},{ 340, 310, 250, 240, 200},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 150, 50, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 210, 100, 200},{ 340, 130, 30, 110, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200},{ 340, 230, 130, 210, 200},{ 340, 270, 170, 240, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 340, 200, 310},{ 340, 210, 250, 200, 220},{ 340, 110, 250, 200, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 220, 260, 200, 230},{ 340, 200, 250, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 250, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 160, 270, 200, 240},{ 340, -10, 130, 200, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220},{ 340, 90, 230, 200, 200},{ 340, 120, 170, 200, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 220},{ 340, 150, 200, 190, 100},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 200, 200, 110},{ 340, 240, 200, 240, 190},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200},{ 340, 100, 200, 140, 150},{ 340, 110, 200, 70, -120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190},{ 340, 210, 200, 170, -20},{ 340, 240, 200, 200, 190}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 340, 100, 290},{ 340, 200, 250, -30, 170},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 260, -20, 180},{ 340, 200, 250, 70, 160},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200},{ 340, 200, 270, 30, 220},{ 340, 200, 130, -250, 130}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160},{ 340, 200, 230, -150, 230},{ 340, 200, 170, 70, 80}} +} +}, +/* UG....UA */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 230, 230, 130, 200},{ 340, 170, 170, 70, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 340, 280, 270, 200},{ 340, 200, 200, 200, 200},{ 340, 340, 280, 270, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 170, 70, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 210, 110, 200},{ 340, 100, 0, 70, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200},{ 340, 220, 120, 200, 200},{ 340, 290, 190, 270, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 340, 200, 310},{ 340, 190, 230, 200, 200},{ 340, 130, 270, 200, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 280, 200, 250},{ 340, 230, 280, 200, 250},{ 340, 200, 200, 200, 200},{ 340, 230, 280, 200, 250}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 270, 200, 240},{ 340, 200, 200, 200, 200},{ 340, 170, 270, 200, 240},{ 340, -50, 100, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220},{ 340, 80, 220, 200, 190},{ 340, 150, 190, 200, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 220},{ 340, 130, 200, 170, 80},{ 340, 70, 200, 110, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 120},{ 340, 270, 200, 270, 220},{ 340, 200, 200, 200, 200},{ 340, 270, 200, 270, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 200, 110, 200},{ 340, 200, 200, 200, 200},{ 340, 110, 200, 150, 160},{ 340, 70, 200, 30, -160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190},{ 340, 200, 200, 160, -30},{ 340, 270, 200, 230, 220}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 340, 100, 290},{ 340, 200, 230, -50, 150},{ 340, 200, 270, 70, 270},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 280, 0, 190},{ 340, 200, 280, 100, 190},{ 340, 200, 200, 200, 200},{ 340, 200, 280, 100, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 70, 270},{ 340, 200, 200, 200, 200},{ 340, 200, 270, 30, 230},{ 340, 200, 100, -290, 90}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160},{ 340, 200, 220, -160, 220},{ 340, 200, 190, 90, 110}} +} +}, +/* UG....?? */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +} +}, +{ /* noPair */ {{{{0}}}}, +/* AU....CG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 190, 80, 200},{ 340, 190, 180, 70, 200},{ 340, 100, 90, -20, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 220, 110, 200},{ 340, 280, 210, 200, 200},{ 340, 200, 200, 200, 200},{ 340, 270, 190, 180, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 90, -20, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 160, 50, 200},{ 340, 30, -80, -10, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 270, 190, 180, 200},{ 340, 180, 70, 140, 200},{ 340, 220, 100, 180, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 230, 200, 230},{ 340, 170, 160, 200, 160},{ 340, 80, 170, 200, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 210, 200, 210},{ 340, 200, 190, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 200, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 170, 200, 170},{ 340, 200, 200, 200, 200},{ 340, 150, 210, 200, 210},{ 340, -90, 0, 200, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 200, 180},{ 340, 60, 150, 200, 150},{ 340, 90, 90, 200, 90}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 200, 130, 160},{ 340, 70, 200, 120, 50},{ 340, -20, 200, 30, 140},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 200, 170, 90},{ 340, 200, 200, 210, 180},{ 340, 200, 200, 200, 200},{ 340, 180, 200, 200, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, -20, 200, 30, 140},{ 340, 200, 200, 200, 200},{ 340, 50, 200, 110, 130},{ 340, -10, 200, -40, -210}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 180, 200, 200, 160},{ 340, 140, 200, 110, -60},{ 340, 180, 200, 150, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 230, 60, 190},{ 340, 200, 160, -50, 80},{ 340, 200, 170, 40, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 210, 0, 130},{ 340, 200, 190, 80, 110},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 70, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 170, 40, 180},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 40, 170},{ 340, 200, 0, -310, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 180, 70, 100},{ 340, 200, 150, -160, 160},{ 340, 200, 90, 60, 10}} +} +}, +/* AU....GC */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 200, 90, 200},{ 340, 190, 170, 60, 200},{ 340, 10, 0, -110, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 170, 60, 200},{ 340, 250, 170, 160, 200},{ 340, 200, 200, 200, 200},{ 340, 150, 70, 70, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 60, -50, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 160, 50, 200},{ 340, 0, -120, -50, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 250, 180, 170, 200},{ 340, 40, -80, -10, 200},{ 340, 210, 100, 170, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 240, 200, 240},{ 340, 160, 160, 200, 160},{ 340, -10, 80, 200, 80},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 150, 200, 150},{ 340, 160, 160, 200, 160},{ 340, 200, 200, 200, 200},{ 340, 60, 60, 200, 60}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 140, 200, 140},{ 340, 200, 200, 200, 200},{ 340, 150, 210, 200, 210},{ 340, -130, -30, 200, -30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 160, 200, 160},{ 340, -90, 10, 200, 10},{ 340, 90, 80, 200, 80}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 90, 200, 140, 170},{ 340, 60, 200, 120, 40},{ 340, -110, 200, -60, 50},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 200, 110, 40},{ 340, 160, 200, 180, 140},{ 340, 200, 200, 200, 200},{ 340, 70, 200, 80, 50}}, +{{ 340, 340, 340, 340, 340},{ 340, -50, 200, 0, 110},{ 340, 200, 200, 200, 200},{ 340, 50, 200, 110, 130},{ 340, -50, 200, -70, -250}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 170, 200, 180, 150},{ 340, -10, 200, -30, -210},{ 340, 170, 200, 140, 150}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 70, 200},{ 340, 200, 160, -50, 80},{ 340, 200, 80, -50, 80},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 150, -60, 70},{ 340, 200, 160, 50, 80},{ 340, 200, 200, 200, 200},{ 340, 200, 60, -50, -20}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 140, 10, 150},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 40, 170},{ 340, 200, -30, -350, -30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 160, 50, 80},{ 340, 200, 10, -310, 10},{ 340, 200, 80, 50, 0}} +} +}, +/* AU....GU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 250, 240, 130, 200},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 260, 250, 140, 200},{ 340, 310, 230, 220, 200},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 190, 80, 200},{ 340, 130, 20, 90, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 230, 120, 190, 200},{ 340, 270, 150, 220, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 230, 220, 200, 220},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 230, 200, 230},{ 340, 220, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 180, 240, 200, 240},{ 340, 10, 100, 200, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 110, 200, 200, 200},{ 340, 140, 140, 200, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 130, 200, 180, 110},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 140, 200, 190, 120},{ 340, 220, 200, 240, 200},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 140, 160},{ 340, 90, 200, 70, -110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 190, 200, 160, -10},{ 340, 220, 200, 200, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 220, 10, 140},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 230, 20, 150},{ 340, 200, 220, 100, 140},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 100, -210, 110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 200, -110, 200},{ 340, 200, 140, 110, 60}} +} +}, +/* AU....UG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 230, 220, 110, 200},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 340, 260, 250, 200},{ 340, 200, 200, 200, 200},{ 340, 340, 260, 250, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 200, 90, 200},{ 340, 100, -20, 50, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 220, 110, 180, 200},{ 340, 290, 180, 250, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 210, 200, 200, 200},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 250, 200, 250},{ 340, 250, 250, 200, 250},{ 340, 200, 200, 200, 200},{ 340, 250, 250, 200, 250}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200},{ 340, 190, 240, 200, 240},{ 340, -30, 70, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 100, 190, 200, 190},{ 340, 170, 160, 200, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 110, 200, 160, 90},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 130},{ 340, 250, 200, 270, 230},{ 340, 200, 200, 200, 200},{ 340, 250, 200, 270, 230}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200},{ 340, 90, 200, 140, 170},{ 340, 50, 200, 30, -150}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 180, 200, 150, -20},{ 340, 250, 200, 220, 230}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 200, -10, 120},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 30, 170},{ 340, 200, 250, 130, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 130, 170}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 70, -250, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 190, -120, 190},{ 340, 200, 160, 130, 80}} +} +}, +/* AU....AU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 250, 240, 130, 200},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 260, 250, 140, 200},{ 340, 310, 230, 220, 200},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 140, 30, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 190, 80, 200},{ 340, 130, 20, 90, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 230, 120, 190, 200},{ 340, 270, 150, 220, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 230, 220, 200, 220},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 230, 200, 230},{ 340, 220, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 220, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 180, 240, 200, 240},{ 340, 10, 100, 200, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 110, 200, 200, 200},{ 340, 140, 140, 200, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 130, 200, 180, 110},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 140, 200, 190, 120},{ 340, 220, 200, 240, 200},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 200, 80, 190},{ 340, 200, 200, 200, 200},{ 340, 80, 200, 140, 160},{ 340, 90, 200, 70, -110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 190, 200, 160, -10},{ 340, 220, 200, 200, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 220, 10, 140},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 230, 20, 150},{ 340, 200, 220, 100, 140},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 220, 90, 220},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 100, -210, 110}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 200, -110, 200},{ 340, 200, 140, 110, 60}} +} +}, +/* AU....UA */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 230, 220, 110, 200},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 260, 150, 200},{ 340, 340, 260, 250, 200},{ 340, 200, 200, 200, 200},{ 340, 340, 260, 250, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 160, 50, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 200, 90, 200},{ 340, 100, -20, 50, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 230, 220, 200},{ 340, 220, 110, 180, 200},{ 340, 290, 180, 250, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 310, 200, 310},{ 340, 210, 200, 200, 200},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 250, 250, 200, 250},{ 340, 250, 250, 200, 250},{ 340, 200, 200, 200, 200},{ 340, 250, 250, 200, 250}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 240, 200, 240},{ 340, 200, 200, 200, 200},{ 340, 190, 240, 200, 240},{ 340, -30, 70, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 220, 200, 220},{ 340, 100, 190, 200, 190},{ 340, 170, 160, 200, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 230},{ 340, 110, 200, 160, 90},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 200, 210, 130},{ 340, 250, 200, 270, 230},{ 340, 200, 200, 200, 200},{ 340, 250, 200, 270, 230}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 100, 210},{ 340, 200, 200, 200, 200},{ 340, 90, 200, 140, 170},{ 340, 50, 200, 30, -150}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 220, 200, 240, 200},{ 340, 180, 200, 150, -20},{ 340, 250, 200, 220, 230}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 310, 130, 270},{ 340, 200, 200, -10, 120},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 30, 170},{ 340, 200, 250, 130, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 130, 170}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, 110, 240},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 70, 200},{ 340, 200, 70, -250, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 220, 100, 140},{ 340, 200, 190, -120, 190},{ 340, 200, 160, 130, 80}} +} +}, +/* AU....?? */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +} +}, +{ /* noPair */ {{{{0}}}}, +/* UA....CG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 100, 200},{ 340, 190, 190, 90, 200},{ 340, 100, 100, 0, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 240, 240, 130, 200},{ 340, 280, 220, 220, 200},{ 340, 200, 200, 200, 200},{ 340, 270, 210, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 100, 0, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 70, 200},{ 340, 30, -70, 10, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 270, 210, 200, 200},{ 340, 180, 80, 160, 200},{ 340, 220, 120, 190, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 260, 200, 230},{ 340, 150, 190, 200, 160},{ 340, 60, 200, 200, 170},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 190, 240, 200, 210},{ 340, 180, 220, 200, 190},{ 340, 200, 200, 200, 200},{ 340, 160, 210, 200, 180}}, +{{ 340, 340, 340, 340, 340},{ 340, 60, 200, 200, 170},{ 340, 200, 200, 200, 200},{ 340, 130, 240, 200, 210},{ 340, -110, 30, 200, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 160, 210, 200, 180},{ 340, 40, 180, 200, 150},{ 340, 70, 120, 200, 90}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 100, 200, 140, 150},{ 340, 90, 200, 130, 40},{ 340, 0, 200, 40, 130},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 200, 170, 80},{ 340, 220, 200, 220, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 200, 200, 150}}, +{{ 340, 340, 340, 340, 340},{ 340, 0, 200, 40, 130},{ 340, 200, 200, 200, 200},{ 340, 70, 200, 110, 120},{ 340, 10, 200, -30, -220}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 200, 200, 150},{ 340, 160, 200, 120, -70},{ 340, 190, 200, 150, 150}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 260, 20, 220},{ 340, 200, 190, -90, 110},{ 340, 200, 200, 0, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 240, -40, 150},{ 340, 200, 220, 40, 140},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 30, 120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 0, 200},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 0, 190},{ 340, 200, 30, -350, 30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 210, 30, 120},{ 340, 200, 180, -200, 180},{ 340, 200, 120, 20, 30}} +} +}, +/* UA....GC */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 210, 210, 110, 200},{ 340, 190, 190, 80, 200},{ 340, 10, 10, -90, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 180, 180, 80, 200},{ 340, 250, 190, 180, 200},{ 340, 200, 200, 200, 200},{ 340, 150, 90, 90, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 70, -30, 200},{ 340, 200, 200, 200, 200},{ 340, 180, 180, 70, 200},{ 340, 0, -100, -30, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 250, 190, 190, 200},{ 340, 40, -60, 10, 200},{ 340, 210, 110, 190, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 270, 200, 240},{ 340, 140, 190, 200, 160},{ 340, -30, 110, 200, 80},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 140, 180, 200, 150},{ 340, 140, 190, 200, 160},{ 340, 200, 200, 200, 200},{ 340, 40, 90, 200, 60}}, +{{ 340, 340, 340, 340, 340},{ 340, 30, 170, 200, 140},{ 340, 200, 200, 200, 200},{ 340, 130, 240, 200, 210},{ 340, -150, 0, 200, -30}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 150, 190, 200, 160},{ 340, -110, 40, 200, 10},{ 340, 70, 110, 200, 80}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 200, 150, 160},{ 340, 80, 200, 120, 30},{ 340, -90, 200, -50, 40},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 80, 200, 120, 30},{ 340, 180, 200, 180, 130},{ 340, 200, 200, 200, 200},{ 340, 90, 200, 80, 40}}, +{{ 340, 340, 340, 340, 340},{ 340, -30, 200, 10, 100},{ 340, 200, 200, 200, 200},{ 340, 70, 200, 110, 120},{ 340, -30, 200, -70, -260}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 190, 200, 190, 140},{ 340, 10, 200, -30, -220},{ 340, 190, 200, 150, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 30, 230},{ 340, 200, 190, -90, 100},{ 340, 200, 110, -90, 110},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 180, -100, 100},{ 340, 200, 190, 10, 100},{ 340, 200, 200, 200, 200},{ 340, 200, 90, -90, 0}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 170, -30, 170},{ 340, 200, 200, 200, 200},{ 340, 200, 240, 0, 190},{ 340, 200, 0, -390, -10}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 190, 10, 110},{ 340, 200, 40, -350, 30},{ 340, 200, 110, 10, 30}} +} +}, +/* UA....GU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 250, 250, 150, 200},{ 340, 150, 150, 50, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 260, 260, 160, 200},{ 340, 310, 250, 240, 200},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 150, 150, 50, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 210, 100, 200},{ 340, 130, 30, 110, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200},{ 340, 230, 130, 210, 200},{ 340, 270, 170, 240, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 340, 200, 310},{ 340, 210, 250, 200, 220},{ 340, 110, 250, 200, 220},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 220, 260, 200, 230},{ 340, 200, 250, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 110, 250, 200, 220},{ 340, 200, 200, 200, 200},{ 340, 160, 270, 200, 240},{ 340, -10, 130, 200, 100}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220},{ 340, 90, 230, 200, 200},{ 340, 120, 170, 200, 140}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 220},{ 340, 150, 200, 190, 100},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 200, 200, 110},{ 340, 240, 200, 240, 190},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200},{ 340, 100, 200, 140, 150},{ 340, 110, 200, 70, -120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190},{ 340, 210, 200, 170, -20},{ 340, 240, 200, 200, 190}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 340, 100, 290},{ 340, 200, 250, -30, 170},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 260, -20, 180},{ 340, 200, 250, 70, 160},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200},{ 340, 200, 270, 30, 220},{ 340, 200, 130, -250, 130}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160},{ 340, 200, 230, -150, 230},{ 340, 200, 170, 70, 80}} +} +}, +/* UA....UG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 230, 230, 130, 200},{ 340, 170, 170, 70, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 280, 280, 170, 200},{ 340, 340, 280, 270, 200},{ 340, 200, 200, 200, 200},{ 340, 340, 280, 270, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 170, 70, 200},{ 340, 200, 200, 200, 200},{ 340, 210, 210, 110, 200},{ 340, 100, 0, 70, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 310, 250, 240, 200},{ 340, 220, 120, 200, 200},{ 340, 290, 190, 270, 200}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 340, 200, 310},{ 340, 190, 230, 200, 200},{ 340, 130, 270, 200, 240},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 230, 280, 200, 250},{ 340, 230, 280, 200, 250},{ 340, 200, 200, 200, 200},{ 340, 230, 280, 200, 250}}, +{{ 340, 340, 340, 340, 340},{ 340, 130, 270, 200, 240},{ 340, 200, 200, 200, 200},{ 340, 170, 270, 200, 240},{ 340, -50, 100, 200, 70}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 200, 220},{ 340, 80, 220, 200, 190},{ 340, 150, 190, 200, 160}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 220},{ 340, 130, 200, 170, 80},{ 340, 70, 200, 110, 200},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 120},{ 340, 270, 200, 270, 220},{ 340, 200, 200, 200, 200},{ 340, 270, 200, 270, 220}}, +{{ 340, 340, 340, 340, 340},{ 340, 70, 200, 110, 200},{ 340, 200, 200, 200, 200},{ 340, 110, 200, 150, 160},{ 340, 70, 200, 30, -160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190},{ 340, 200, 200, 160, -30},{ 340, 270, 200, 230, 220}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 340, 100, 290},{ 340, 200, 230, -50, 150},{ 340, 200, 270, 70, 270},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 280, 0, 190},{ 340, 200, 280, 100, 190},{ 340, 200, 200, 200, 200},{ 340, 200, 280, 100, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 270, 70, 270},{ 340, 200, 200, 200, 200},{ 340, 200, 270, 30, 230},{ 340, 200, 100, -290, 90}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160},{ 340, 200, 220, -160, 220},{ 340, 200, 190, 90, 110}} +} +}, +/* UA....AU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 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340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 170, 200, 210, 220},{ 340, 150, 200, 190, 100},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 160, 200, 200, 110},{ 340, 240, 200, 240, 190},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190}}, +{{ 340, 340, 340, 340, 340},{ 340, 50, 200, 90, 180},{ 340, 200, 200, 200, 200},{ 340, 100, 200, 140, 150},{ 340, 110, 200, 70, -120}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 240, 200, 240, 190},{ 340, 210, 200, 170, -20},{ 340, 240, 200, 200, 190}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 340, 100, 290},{ 340, 200, 250, -30, 170},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 260, -20, 180},{ 340, 200, 250, 70, 160},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 250, 50, 250},{ 340, 200, 200, 200, 200},{ 340, 200, 270, 30, 220},{ 340, 200, 130, -250, 130}}, +{{ 340, 340, 340, 340, 340},{ 340, 200, 200, 200, 200},{ 340, 200, 250, 70, 160},{ 340, 200, 230, -150, 230},{ 340, 200, 170, 70, 80}} +} +}, +/* UA....UA */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 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340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 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340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +}, +/* ??....GU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +}, +/* ??....UG */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +}, +/* ??....AU */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +}, +/* ??....UA */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +}, +/* ??....?? */ +{{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +}, +{ +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}}, +{{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340},{ 340, 340, 340, 340, 340}} +} +} +} +}; + +const int energy_param::int22_H[8][8][5][5][5][5] = +{ /* noPair */ {{{{{0}}}}}, +{ /* noPair */ {{{{0}}}}, +/* CG.@@..CG */ +{ { { { 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@A..CG */ +{ { 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* CG.@C..CG */ +{ { 0, 0, 0, 0, 0}, +{ -949, -949, -949, -949, -949}, +{ -449, -449, -449, -449, -449}, +{ -939, -939, -939, -939, -939}, +{ -739, -739, -739, -739, -739}}, +/* CG.@G..CG */ +{ { 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* CG.@U..CG */ +{ { 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -669, -669, -669, -669, -669}, +{ -939, -939, -939, -939, -939}, +{ -859, -859, -859, -859, -859}}}, +/* CG.A@..CG */ +{{{ -50,-1029, -949,-1029,-1029}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AA..CG */ +{{ -50,-1029, -949,-1029,-1029}, +{-1079,-2058,-1978,-2058,-2058}, +{ -569,-1548,-1468,-1548,-1548}, +{ -989,-1968,-1888,-1968,-1968}, +{ -859,-1838,-1758,-1838,-1838}}, +/* CG.AC..CG */ +{{ -50,-1029, -949,-1029,-1029}, +{ -999,-1978,-1898,-1978,-1978}, +{ -499,-1478,-1398,-1478,-1478}, +{ -989,-1968,-1888,-1968,-1968}, +{ -789,-1768,-1688,-1768,-1768}}, +/* CG.AG..CG */ +{{ -50,-1029, -949,-1029,-1029}, +{-1079,-2058,-1978,-2058,-2058}, +{ -569,-1548,-1468,-1548,-1548}, +{ -989,-1968,-1888,-1968,-1968}, +{ -859,-1838,-1758,-1838,-1838}}, +/* CG.AU..CG */ +{{ -50,-1029, -949,-1029,-1029}, +{-1079,-2058,-1978,-2058,-2058}, +{ -719,-1698,-1618,-1698,-1698}, +{ -989,-1968,-1888,-1968,-1968}, +{ -909,-1888,-1808,-1888,-1888}}}, +/* CG.C@..CG */ +{{{ -50, -519, -449, -519, -669}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CA..CG */ +{{ -50, -519, -449, -519, -669}, +{-1079,-1548,-1478,-1548,-1698}, +{ -569,-1038, -968,-1038,-1188}, +{ -989,-1458,-1388,-1458,-1608}, +{ -859,-1328,-1258,-1328,-1478}}, +/* CG.CC..CG */ +{{ -50, -519, -449, -519, -669}, +{ -999,-1468,-1398,-1468,-1618}, +{ -499, -968, -898, -968,-1118}, +{ -989,-1458,-1388,-1458,-1608}, +{ -789,-1258,-1188,-1258,-1408}}, +/* CG.CG..CG */ +{{ -50, -519, -449, -519, -669}, +{-1079,-1548,-1478,-1548,-1698}, +{ -569,-1038, -968,-1038,-1188}, +{ -989,-1458,-1388,-1458,-1608}, +{ -859,-1328,-1258,-1328,-1478}}, +/* CG.CU..CG */ +{{ -50, -519, -449, -519, -669}, +{-1079,-1548,-1478,-1548,-1698}, +{ -719,-1188,-1118,-1188,-1338}, +{ -989,-1458,-1388,-1458,-1608}, +{ -909,-1378,-1308,-1378,-1528}}}, +/* CG.G@..CG */ +{{{ -50, -939, -939, -939, -939}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GA..CG */ +{{ -50, -939, -939, -939, -939}, +{-1079,-1968,-1968,-1968,-1968}, +{ -569,-1458,-1458,-1458,-1458}, +{ -989,-1878,-1878,-1878,-1878}, +{ -859,-1748,-1748,-1748,-1748}}, +/* CG.GC..CG */ +{{ -50, -939, -939, -939, -939}, +{ -999,-1888,-1888,-1888,-1888}, +{ -499,-1388,-1388,-1388,-1388}, +{ -989,-1878,-1878,-1878,-1878}, +{ -789,-1678,-1678,-1678,-1678}}, +/* CG.GG..CG */ +{{ -50, -939, -939, -939, -939}, +{-1079,-1968,-1968,-1968,-1968}, +{ -569,-1458,-1458,-1458,-1458}, +{ -989,-1878,-1878,-1878,-1878}, +{ -859,-1748,-1748,-1748,-1748}}, +/* CG.GU..CG */ +{{ -50, -939, -939, -939, -939}, +{-1079,-1968,-1968,-1968,-1968}, +{ -719,-1608,-1608,-1608,-1608}, +{ -989,-1878,-1878,-1878,-1878}, +{ -909,-1798,-1798,-1798,-1798}}}, +/* CG.U@..CG */ +{{{ -50, -809, -739, -809, -859}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UA..CG */ +{{ -50, -809, -739, -809, -859}, +{-1079,-1838,-1768,-1838,-1888}, +{ -569,-1328,-1258,-1328,-1378}, +{ -989,-1748,-1678,-1748,-1798}, +{ -859,-1618,-1548,-1618,-1668}}, +/* CG.UC..CG */ +{{ -50, -809, -739, -809, -859}, +{ -999,-1758,-1688,-1758,-1808}, +{ -499,-1258,-1188,-1258,-1308}, +{ -989,-1748,-1678,-1748,-1798}, +{ -789,-1548,-1478,-1548,-1598}}, +/* CG.UG..CG */ +{{ -50, -809, -739, -809, -859}, +{-1079,-1838,-1768,-1838,-1888}, +{ -569,-1328,-1258,-1328,-1378}, +{ -989,-1748,-1678,-1748,-1798}, +{ -859,-1618,-1548,-1618,-1668}}, +/* CG.UU..CG */ +{{ -50, -809, -739, -809, -859}, +{-1079,-1838,-1768,-1838,-1888}, +{ -719,-1478,-1408,-1478,-1528}, +{ -989,-1748,-1678,-1748,-1798}, +{ -909,-1668,-1598,-1668,-1718}}}}, +/* CG.@@..GC */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@A..GC */ +{{ 0, 0, 0, 0, 0}, +{ -519, -519, -519, -519, -519}, +{ -719, -719, -719, -719, -719}, +{ -709, -709, -709, -709, -709}, +{ -499, -499, -499, -499, -499}}, +/* CG.@C..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -309, -309, -309, -309, -309}, +{ -739, -739, -739, -739, -739}, +{ -499, -499, -499, -499, -499}}, +/* CG.@G..GC */ +{{ 0, 0, 0, 0, 0}, +{ -559, -559, -559, -559, -559}, +{ -309, -309, -309, -309, -309}, +{ -619, -619, -619, -619, -619}, +{ -499, -499, -499, -499, -499}}, +/* CG.@U..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -389, -389, -389, -389, -389}, +{ -739, -739, -739, -739, -739}, +{ -569, -569, -569, -569, -569}}}, +/* CG.A@..GC */ +{{{ -50,-1029, -949,-1029,-1029}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AA..GC */ +{{ -50,-1029, -949,-1029,-1029}, +{ -569,-1548,-1468,-1548,-1548}, +{ -769,-1748,-1668,-1748,-1748}, +{ -759,-1738,-1658,-1738,-1738}, +{ -549,-1528,-1448,-1528,-1528}}, +/* CG.AC..GC */ +{{ -50,-1029, -949,-1029,-1029}, +{ -929,-1908,-1828,-1908,-1908}, +{ -359,-1338,-1258,-1338,-1338}, +{ -789,-1768,-1688,-1768,-1768}, +{ -549,-1528,-1448,-1528,-1528}}, +/* CG.AG..GC */ +{{ -50,-1029, -949,-1029,-1029}, +{ -609,-1588,-1508,-1588,-1588}, +{ -359,-1338,-1258,-1338,-1338}, +{ -669,-1648,-1568,-1648,-1648}, +{ -549,-1528,-1448,-1528,-1528}}, +/* CG.AU..GC */ +{{ -50,-1029, -949,-1029,-1029}, +{ -929,-1908,-1828,-1908,-1908}, +{ -439,-1418,-1338,-1418,-1418}, +{ -789,-1768,-1688,-1768,-1768}, +{ -619,-1598,-1518,-1598,-1598}}}, +/* CG.C@..GC */ +{{{ -50, -519, -449, -519, -669}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CA..GC */ +{{ -50, -519, -449, -519, -669}, +{ -569,-1038, -968,-1038,-1188}, +{ -769,-1238,-1168,-1238,-1388}, +{ -759,-1228,-1158,-1228,-1378}, +{ -549,-1018, -948,-1018,-1168}}, +/* CG.CC..GC */ +{{ -50, -519, -449, -519, -669}, +{ -929,-1398,-1328,-1398,-1548}, +{ -359, -828, -758, -828, -978}, +{ -789,-1258,-1188,-1258,-1408}, +{ -549,-1018, -948,-1018,-1168}}, +/* CG.CG..GC */ +{{ -50, -519, -449, -519, -669}, +{ -609,-1078,-1008,-1078,-1228}, +{ -359, -828, -758, -828, -978}, +{ -669,-1138,-1068,-1138,-1288}, +{ -549,-1018, -948,-1018,-1168}}, +/* CG.CU..GC */ +{{ -50, -519, -449, -519, -669}, +{ -929,-1398,-1328,-1398,-1548}, +{ -439, -908, -838, -908,-1058}, +{ -789,-1258,-1188,-1258,-1408}, +{ -619,-1088,-1018,-1088,-1238}}}, +/* CG.G@..GC */ +{{{ -50, -939, -939, -939, -939}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GA..GC */ +{{ -50, -939, -939, -939, -939}, +{ -569,-1458,-1458,-1458,-1458}, +{ -769,-1658,-1658,-1658,-1658}, +{ -759,-1648,-1648,-1648,-1648}, +{ -549,-1438,-1438,-1438,-1438}}, +/* CG.GC..GC */ +{{ -50, -939, -939, -939, -939}, +{ -929,-1818,-1818,-1818,-1818}, +{ -359,-1248,-1248,-1248,-1248}, +{ -789,-1678,-1678,-1678,-1678}, +{ -549,-1438,-1438,-1438,-1438}}, +/* CG.GG..GC */ +{{ -50, -939, -939, -939, -939}, +{ -609,-1498,-1498,-1498,-1498}, +{ -359,-1248,-1248,-1248,-1248}, +{ -669,-1558,-1558,-1558,-1558}, +{ -549,-1438,-1438,-1438,-1438}}, +/* CG.GU..GC */ +{{ -50, -939, -939, -939, -939}, +{ -929,-1818,-1818,-1818,-1818}, +{ -439,-1328,-1328,-1328,-1328}, +{ -789,-1678,-1678,-1678,-3080}, +{ -619,-1508,-1508,-1508,-1508}}}, +/* CG.U@..GC */ +{{{ -50, -809, -739, -809, -859}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UA..GC */ +{{ -50, -809, -739, -809, -859}, +{ -569,-1328,-1258,-1328,-1378}, +{ -769,-1528,-1458,-1528,-1578}, +{ -759,-1518,-1448,-1518,-1568}, +{ -549,-1308,-1238,-1308,-1358}}, +/* CG.UC..GC */ +{{ -50, -809, -739, -809, -859}, +{ -929,-1688,-1618,-1688,-1738}, +{ -359,-1118,-1048,-1118,-1168}, +{ -789,-1548,-1478,-1548,-1598}, +{ -549,-1308,-1238,-1308,-1358}}, +/* CG.UG..GC */ +{{ -50, -809, -739, -809, -859}, +{ -609,-1368,-1298,-1368,-1418}, +{ -359,-1118,-1048,-1118,-1168}, +{ -669,-1428,-1358,-1428,-1478}, +{ -549,-1308,-1238,-1308,-1358}}, +/* CG.UU..GC */ +{{ -50, -809, -739, -809, -859}, +{ -929,-1688,-1618,-1688,-1738}, +{ -439,-1198,-1128,-1198,-1248}, +{ -789,-1548,-1478,-1548,-1598}, +{ -619,-1378,-1308,-1378,-1428}}}}, +/* CG.@@..GU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@A..GU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* CG.@C..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* CG.@G..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* CG.@U..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* CG.A@..GU */ +{{{ -50,-1029, -949,-1029,-1029}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AA..GU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -479,-1458,-1378,-1458,-1458}, +{ -309,-1288,-1208,-1288,-1288}, +{ -389,-1368,-1288,-1368,-1368}, +{ -379,-1358,-1278,-1358,-1358}}, +/* CG.AC..GU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -649,-1628,-1548,-1628,-1628}, +{ -289,-1268,-1188,-1268,-1268}, +{ -739,-1718,-1638,-1718,-1718}, +{ -379,-1358,-1278,-1358,-1358}}, +/* CG.AG..GU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -649,-1628,-1548,-1628,-1628}, +{ -289,-1268,-1188,-1268,-1268}, +{ -739,-1718,-1638,-1718,-1718}, +{ -379,-1358,-1278,-1358,-1358}}, +/* CG.AU..GU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -649,-1628,-1548,-1628,-1628}, +{ -289,-1268,-1188,-1268,-1268}, +{ -739,-1718,-1638,-1718,-1718}, +{ -379,-1358,-1278,-1358,-1358}}}, +/* CG.C@..GU */ +{{{ -50, -519, -449, -519, -669}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CA..GU */ +{{ -50, -519, -449, -519, -669}, +{ -479, -948, -878, -948,-1098}, +{ -309, -778, -708, -778, -928}, +{ -389, -858, -788, -858,-1008}, +{ -379, -848, -778, -848, -998}}, +/* CG.CC..GU */ +{{ -50, -519, -449, -519, -669}, +{ -649,-1118,-1048,-1118,-1268}, +{ -289, -758, -688, -758, -908}, +{ -739,-1208,-1138,-1208,-1358}, +{ -379, -848, -778, -848, -998}}, +/* CG.CG..GU */ +{{ -50, -519, -449, -519, -669}, +{ -649,-1118,-1048,-1118,-1268}, +{ -289, -758, -688, -758, -908}, +{ -739,-1208,-1138,-1208,-1358}, +{ -379, -848, -778, -848, -998}}, +/* CG.CU..GU */ +{{ -50, -519, -449, -519, -669}, +{ -649,-1118,-1048,-1118,-1268}, +{ -289, -758, -688, -758, -908}, +{ -739,-1208,-1138,-1208,-1358}, +{ -379, -848, -778, -848, -998}}}, +/* CG.G@..GU */ +{{{ -50, -939, -939, -939, -939}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GA..GU */ +{{ -50, -939, -939, -939, -939}, +{ -479,-1368,-1368,-1368,-1368}, +{ -309,-1198,-1198,-1198,-1198}, +{ -389,-1278,-1278,-1278,-1278}, +{ -379,-1268,-1268,-1268,-1268}}, +/* CG.GC..GU */ +{{ -50, -939, -939, -939, -939}, +{ -649,-1538,-1538,-1538,-1538}, +{ -289,-1178,-1178,-1178,-1178}, +{ -739,-1628,-1628,-1628,-1628}, +{ -379,-1268,-1268,-1268,-1268}}, +/* CG.GG..GU */ +{{ -50, -939, -939, -939, -939}, +{ -649,-1538,-1538,-1538,-1538}, +{ -289,-1178,-1178,-1178,-1178}, +{ -739,-1628,-1628,-1628,-1628}, +{ -379,-1268,-1268,-1268,-1268}}, +/* CG.GU..GU */ +{{ -50, -939, -939, -939, -939}, +{ -649,-1538,-1538,-1538,-1538}, +{ -289,-1178,-1178,-1178,-1178}, +{ -739,-1628,-1628,-1628,-1628}, +{ -379,-1268,-1268,-1268,-1268}}}, +/* CG.U@..GU */ +{{{ -50, -809, -739, -809, -859}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UA..GU */ +{{ -50, -809, -739, -809, -859}, +{ -479,-1238,-1168,-1238,-1288}, +{ -309,-1068, -998,-1068,-1118}, +{ -389,-1148,-1078,-1148,-1198}, +{ -379,-1138,-1068,-1138,-1188}}, +/* CG.UC..GU */ +{{ -50, -809, -739, -809, -859}, +{ -649,-1408,-1338,-1408,-1458}, +{ -289,-1048, -978,-1048,-1098}, +{ -739,-1498,-1428,-1498,-1548}, +{ -379,-1138,-1068,-1138,-1188}}, +/* CG.UG..GU */ +{{ -50, -809, -739, -809, -859}, +{ -649,-1408,-1338,-1408,-1458}, +{ -289,-1048, -978,-1048,-1098}, +{ -739,-1498,-1428,-1498,-1548}, +{ -379,-1138,-1068,-1138,-1188}}, +/* CG.UU..GU */ +{{ -50, -809, -739, -809, -859}, +{ -649,-1408,-1338,-1408,-1458}, +{ -289,-1048, -978,-1048,-1098}, +{ -739,-1498,-1428,-1498,-1548}, +{ -379,-1138,-1068,-1138,-1188}}}}, +/* CG.@@..UG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@A..UG */ +{{ 0, 0, 0, 0, 0}, +{ -719, -719, -719, -719, -719}, +{ -479, -479, -479, -479, -479}, +{ -659, -659, -659, -659, -659}, +{ -549, -549, -549, -549, -549}}, +/* CG.@C..UG */ +{{ 0, 0, 0, 0, 0}, +{ -789, -789, -789, -789, -789}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -439, -439, -439, -439, -439}}, +/* CG.@G..UG */ +{{ 0, 0, 0, 0, 0}, +{ -959, -959, -959, -959, -959}, +{ -359, -359, -359, -359, -359}, +{ -919, -919, -919, -919, -919}, +{ -549, -549, -549, -549, -549}}, +/* CG.@U..UG */ +{{ 0, 0, 0, 0, 0}, +{ -809, -809, -809, -809, -809}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -359, -359, -359, -359, -359}}}, +/* CG.A@..UG */ +{{{ -50,-1029, -949,-1029,-1029}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AA..UG */ +{{ -50,-1029, -949,-1029,-1029}, +{ -769,-1748,-1668,-1748,-1748}, +{ -529,-1508,-1428,-1508,-1508}, +{ -709,-1688,-1608,-1688,-1688}, +{ -599,-1578,-1498,-1578,-1578}}, +/* CG.AC..UG */ +{{ -50,-1029, -949,-1029,-1029}, +{ -839,-1818,-1738,-1818,-1818}, +{ -529,-1508,-1428,-1508,-1508}, +{ -859,-1838,-1758,-1838,-1838}, +{ -489,-1468,-1388,-1468,-1468}}, +/* CG.AG..UG */ +{{ -50,-1029, -949,-1029,-1029}, +{-1009,-1988,-1908,-1988,-1988}, +{ -409,-1388,-1308,-1388,-1388}, +{ -969,-1948,-1868,-1948,-1948}, +{ -599,-1578,-1498,-1578,-1578}}, +/* CG.AU..UG */ +{{ -50,-1029, -949,-1029,-1029}, +{ -859,-1838,-1758,-1838,-1838}, +{ -529,-1508,-1428,-1508,-1508}, +{ -859,-1838,-1758,-1838,-1838}, +{ -409,-1388,-1308,-1388,-1388}}}, +/* CG.C@..UG */ +{{{ -50, -519, -449, -519, -669}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CA..UG */ +{{ -50, -519, -449, -519, -669}, +{ -769,-1238,-1168,-1238,-1388}, +{ -529, -998, -928, -998,-1148}, +{ -709,-1178,-1108,-1178,-1328}, +{ -599,-1068, -998,-1068,-1218}}, +/* CG.CC..UG */ +{{ -50, -519, -449, -519, -669}, +{ -839,-1308,-1238,-1308,-1458}, +{ -529, -998, -928, -998,-1148}, +{ -859,-1328,-1258,-1328,-1478}, +{ -489, -958, -888, -958,-1108}}, +/* CG.CG..UG */ +{{ -50, -519, -449, -519, -669}, +{-1009,-1478,-1408,-1478,-1628}, +{ -409, -878, -808, -878,-1028}, +{ -969,-1438,-1368,-1438,-1588}, +{ -599,-1068, -998,-1068,-1218}}, +/* CG.CU..UG */ +{{ -50, -519, -449, -519, -669}, +{ -859,-1328,-1258,-1328,-1478}, +{ -529, -998, -928, -998,-1148}, +{ -859,-1328,-1258,-1328,-1478}, +{ -409, -878, -808, -878,-1028}}}, +/* CG.G@..UG */ +{{{ -50, -939, -939, -939, -939}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GA..UG */ +{{ -50, -939, -939, -939, -939}, +{ -769,-1658,-1658,-1658,-1658}, +{ -529,-1418,-1418,-1418,-1418}, +{ -709,-1598,-1598,-1598,-1598}, +{ -599,-1488,-1488,-1488,-1488}}, +/* CG.GC..UG */ +{{ -50, -939, -939, -939, -939}, +{ -839,-1728,-1728,-1728,-1728}, +{ -529,-1418,-1418,-1418,-1418}, +{ -859,-1748,-1748,-1748,-1748}, +{ -489,-1378,-1378,-1378,-1378}}, +/* CG.GG..UG */ +{{ -50, -939, -939, -939, -939}, +{-1009,-1898,-1898,-1898,-1898}, +{ -409,-1298,-1298,-1298,-1298}, +{ -969,-1858,-1858,-1858,-1858}, +{ -599,-1488,-1488,-1488,-1488}}, +/* CG.GU..UG */ +{{ -50, -939, -939, -939, -939}, +{ -859,-1748,-1748,-1748,-1748}, +{ -529,-1418,-1418,-1418,-1418}, +{ -859,-1748,-1748,-1748,-1748}, +{ -409,-1298,-1298,-1298,-1298}}}, +/* CG.U@..UG */ +{{{ -50, -809, -739, -809, -859}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UA..UG */ +{{ -50, -809, -739, -809, -859}, +{ -769,-1528,-1458,-1528,-1578}, +{ -529,-1288,-1218,-1288,-1338}, +{ -709,-1468,-1398,-1468,-1518}, +{ -599,-1358,-1288,-1358,-1408}}, +/* CG.UC..UG */ +{{ -50, -809, -739, -809, -859}, +{ -839,-1598,-1528,-1598,-1648}, +{ -529,-1288,-1218,-1288,-1338}, +{ -859,-1618,-1548,-1618,-1668}, +{ -489,-1248,-1178,-1248,-1298}}, +/* CG.UG..UG */ +{{ -50, -809, -739, -809, -859}, +{-1009,-1768,-1698,-1768,-1818}, +{ -409,-1168,-1098,-1168,-1218}, +{ -969,-1728,-1658,-1728,-1778}, +{ -599,-1358,-1288,-1358,-1408}}, +/* CG.UU..UG */ +{{ -50, -809, -739, -809, -859}, +{ -859,-1618,-1548,-1618,-1668}, +{ -529,-1288,-1218,-1288,-1338}, +{ -859,-1618,-1548,-1618,-1668}, +{ -409,-1168,-1098,-1168,-1218}}}}, +/* CG.@@..AU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@A..AU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* CG.@C..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* CG.@G..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* CG.@U..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* CG.A@..AU */ +{{{ -50,-1029, -949,-1029,-1029}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AA..AU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -479,-1458,-1378,-1458,-1458}, +{ -309,-1288,-1208,-1288,-1288}, +{ -389,-1368,-1288,-1368,-1368}, +{ -379,-1358,-1278,-1358,-1358}}, +/* CG.AC..AU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -649,-1628,-1548,-1628,-1628}, +{ -289,-1268,-1188,-1268,-1268}, +{ -739,-1718,-1638,-1718,-1718}, +{ -379,-1358,-1278,-1358,-1358}}, +/* CG.AG..AU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -649,-1628,-1548,-1628,-1628}, +{ -289,-1268,-1188,-1268,-1268}, +{ -739,-1718,-1638,-1718,-1718}, +{ -379,-1358,-1278,-1358,-1358}}, +/* CG.AU..AU */ +{{ -50,-1029, -949,-1029,-1029}, +{ -649,-1628,-1548,-1628,-1628}, +{ -289,-1268,-1188,-1268,-1268}, +{ -739,-1718,-1638,-1718,-1718}, +{ -379,-1358,-1278,-1358,-1358}}}, +/* CG.C@..AU */ +{{{ -50, -519, -449, -519, -669}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CA..AU */ +{{ -50, -519, -449, -519, -669}, +{ -479, -948, -878, -948,-1098}, +{ -309, -778, -708, -778, -928}, +{ -389, -858, -788, -858,-1008}, +{ -379, -848, -778, -848, -998}}, +/* CG.CC..AU */ +{{ -50, -519, -449, -519, -669}, +{ -649,-1118,-1048,-1118,-1268}, +{ -289, -758, -688, -758, -908}, +{ -739,-1208,-1138,-1208,-1358}, +{ -379, -848, -778, -848, -998}}, +/* CG.CG..AU */ +{{ -50, -519, -449, -519, -669}, +{ -649,-1118,-1048,-1118,-1268}, +{ -289, -758, -688, -758, -908}, +{ -739,-1208,-1138,-1208,-1358}, +{ -379, -848, -778, -848, -998}}, +/* CG.CU..AU */ +{{ -50, -519, -449, -519, -669}, +{ -649,-1118,-1048,-1118,-1268}, +{ -289, -758, -688, -758, -908}, +{ -739,-1208,-1138,-1208,-1358}, +{ -379, -848, -778, -848, -998}}}, +/* CG.G@..AU */ +{{{ -50, -939, -939, -939, -939}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GA..AU */ +{{ -50, -939, -939, -939, -939}, +{ -479,-1368,-1368,-1368,-1368}, +{ -309,-1198,-1198,-1198,-1198}, +{ -389,-1278,-1278,-1278,-1278}, +{ -379,-1268,-1268,-1268,-1268}}, +/* CG.GC..AU */ +{{ -50, -939, -939, -939, -939}, +{ -649,-1538,-1538,-1538,-1538}, +{ -289,-1178,-1178,-1178,-1178}, +{ -739,-1628,-1628,-1628,-1628}, +{ -379,-1268,-1268,-1268,-1268}}, +/* CG.GG..AU */ +{{ -50, -939, -939, -939, -939}, +{ -649,-1538,-1538,-1538,-1538}, +{ -289,-1178,-1178,-1178,-1178}, +{ -739,-1628,-1628,-1628,-1628}, +{ -379,-1268,-1268,-1268,-1268}}, +/* CG.GU..AU */ +{{ -50, -939, -939, -939, -939}, +{ -649,-1538,-1538,-1538,-1538}, +{ -289,-1178,-1178,-1178,-1178}, +{ -739,-1628,-1628,-1628,-1628}, +{ -379,-1268,-1268,-1268,-1268}}}, +/* CG.U@..AU */ +{{{ -50, -809, -739, -809, -859}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UA..AU */ +{{ -50, -809, -739, -809, -859}, +{ -479,-1238,-1168,-1238,-1288}, +{ -309,-1068, -998,-1068,-1118}, +{ -389,-1148,-1078,-1148,-1198}, +{ -379,-1138,-1068,-1138,-1188}}, +/* CG.UC..AU */ +{{ -50, -809, -739, -809, -859}, +{ -649,-1408,-1338,-1408,-1458}, +{ -289,-1048, -978,-1048,-1098}, +{ -739,-1498,-1428,-1498,-1548}, +{ -379,-1138,-1068,-1138,-1188}}, +/* CG.UG..AU */ +{{ -50, -809, -739, -809, -859}, +{ -649,-1408,-1338,-1408,-1458}, +{ -289,-1048, -978,-1048,-1098}, +{ -739,-1498,-1428,-1498,-1548}, +{ -379,-1138,-1068,-1138,-1188}}, +/* CG.UU..AU */ +{{ -50, -809, -739, -809, -859}, +{ -649,-1408,-1338,-1408,-1458}, +{ -289,-1048, -978,-1048,-1098}, +{ -739,-1498,-1428,-1498,-1548}, +{ -379,-1138,-1068,-1138,-1188}}}}, +/* CG.@@..UA */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@A..UA */ +{{ 0, 0, 0, 0, 0}, +{ -399, -399, -399, -399, -399}, +{ -429, -429, -429, -429, -429}, +{ -379, -379, -379, -379, -379}, +{ -279, -279, -279, -279, -279}}, +/* CG.@C..UA */ +{{ 0, 0, 0, 0, 0}, +{ -629, -629, -629, -629, -629}, +{ -509, -509, -509, -509, -509}, +{ -679, -679, -679, -679, -679}, +{ -139, -139, -139, -139, -139}}, +/* CG.@G..UA */ +{{ 0, 0, 0, 0, 0}, +{ -889, -889, -889, -889, -889}, +{ -199, -199, -199, -199, -199}, +{ -889, -889, -889, -889, -889}, +{ -279, -279, -279, -279, -279}}, +/* CG.@U..UA */ +{{ 0, 0, 0, 0, 0}, +{ -589, -589, -589, -589, -589}, +{ -179, -179, -179, -179, -179}, +{ -679, -679, -679, -679, -679}, +{ -140, -140, -140, -140, -140}}}, +/* CG.A@..UA */ +{{{ -50,-1029, -949,-1029,-1029}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AA..UA */ +{{ -50,-1029, -949,-1029,-1029}, +{ -449,-1428,-1348,-1428,-1428}, +{ -479,-1458,-1378,-1458,-1458}, +{ -429,-1408,-1328,-1408,-1408}, +{ -329,-1308,-1228,-1308,-1308}}, +/* CG.AC..UA */ +{{ -50,-1029, -949,-1029,-1029}, +{ -679,-1658,-1578,-1658,-1658}, +{ -559,-1538,-1458,-1538,-1538}, +{ -729,-1708,-1628,-1708,-1708}, +{ -189,-1168,-1088,-1168,-1168}}, +/* CG.AG..UA */ +{{ -50,-1029, -949,-1029,-1029}, +{ -939,-1918,-1838,-1918,-1918}, +{ -249,-1228,-1148,-1228,-1228}, +{ -939,-1918,-1838,-1918,-1918}, +{ -329,-1308,-1228,-1308,-1308}}, +/* CG.AU..UA */ +{{ -50,-1029, -949,-1029,-1029}, +{ -639,-1618,-1538,-1618,-1618}, +{ -229,-1208,-1128,-1208,-1208}, +{ -729,-1708,-1628,-1708,-1708}, +{ -190,-1169,-1089,-1169,-1169}}}, +/* CG.C@..UA */ +{{{ -50, -519, -449, -519, -669}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CA..UA */ +{{ -50, -519, -449, -519, -669}, +{ -449, -918, -848, -918,-1068}, +{ -479, -948, -878, -948,-1098}, +{ -429, -898, -828, -898,-1048}, +{ -329, -798, -728, -798, -948}}, +/* CG.CC..UA */ +{{ -50, -519, -449, -519, -669}, +{ -679,-1148,-1078,-1148,-1298}, +{ -559,-1028, -958,-1028,-1178}, +{ -729,-1198,-1128,-1198,-1348}, +{ -189, -658, -588, -658, -808}}, +/* CG.CG..UA */ +{{ -50, -519, -449, -519, -669}, +{ -939,-1408,-1338,-1408,-1558}, +{ -249, -718, -648, -718, -868}, +{ -939,-1408,-1338,-1408,-1558}, +{ -329, -798, -728, -798, -948}}, +/* CG.CU..UA */ +{{ -50, -519, -449, -519, -669}, +{ -639,-1108,-1038,-1108,-1258}, +{ -229, -698, -628, -698, -848}, +{ -729,-1198,-1128,-1198,-1348}, +{ -190, -659, -589, -659, -809}}}, +/* CG.G@..UA */ +{{{ -50, -939, -939, -939, -939}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GA..UA */ +{{ -50, -939, -939, -939, -939}, +{ -449,-1338,-1338,-1338,-1338}, +{ -479,-1368,-1368,-1368,-1368}, +{ -429,-1318,-1318,-1318,-1318}, +{ -329,-1218,-1218,-1218,-1218}}, +/* CG.GC..UA */ +{{ -50, -939, -939, -939, -939}, +{ -679,-1568,-1568,-1568,-1568}, +{ -559,-1448,-1448,-1448,-1448}, +{ -729,-1618,-1618,-1618,-1618}, +{ -189,-1078,-1078,-1078,-1078}}, +/* CG.GG..UA */ +{{ -50, -939, -939, -939, -939}, +{ -939,-1828,-1828,-1828,-1828}, +{ -249,-1138,-1138,-1138,-1138}, +{ -939,-1828,-1828,-1828,-1828}, +{ -329,-1218,-1218,-1218,-1218}}, +/* CG.GU..UA */ +{{ -50, -939, -939, -939, -939}, +{ -639,-1528,-1528,-1528,-1528}, +{ -229,-1118,-1118,-1118,-1118}, +{ -729,-1618,-1618,-1618,-1618}, +{ -190,-1079,-1079,-1079,-1079}}}, +/* CG.U@..UA */ +{{{ -50, -809, -739, -809, -859}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UA..UA */ +{{ -50, -809, -739, -809, -859}, +{ -449,-1208,-1138,-1208,-1258}, +{ -479,-1238,-1168,-1238,-1288}, +{ -429,-1188,-1118,-1188,-1238}, +{ -329,-1088,-1018,-1088,-1138}}, +/* CG.UC..UA */ +{{ -50, -809, -739, -809, -859}, +{ -679,-1438,-1368,-1438,-1488}, +{ -559,-1318,-1248,-1318,-1368}, +{ -729,-1488,-1418,-1488,-1538}, +{ -189, -948, -878, -948, -998}}, +/* CG.UG..UA */ +{{ -50, -809, -739, -809, -859}, +{ -939,-1698,-1628,-1698,-1748}, +{ -249,-1008, -938,-1008,-1058}, +{ -939,-1698,-1628,-1698,-1748}, +{ -329,-1088,-1018,-1088,-1138}}, +/* CG.UU..UA */ +{{ -50, -809, -739, -809, -859}, +{ -639,-1398,-1328,-1398,-1448}, +{ -229, -988, -918, -988,-1038}, +{ -729,-1488,-1418,-1488,-1538}, +{ -190, -949, -879, -949, -999}}}}, +/* CG.@@.. @ */ +{{{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@A.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@C.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@G.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* CG.@U.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}}, +/* CG.A@.. @ */ +{{{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AA.. @ */ +{{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AC.. @ */ +{{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AG.. @ */ +{{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}, +/* CG.AU.. @ */ +{{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}, +{ -100,-1079, -999,-1079,-1079}}}, +/* CG.C@.. @ */ +{{{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CA.. @ */ +{{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CC.. @ */ +{{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CG.. @ */ +{{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}, +/* CG.CU.. @ */ +{{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}, +{ -100, -569, -499, -569, -719}}}, +/* CG.G@.. @ */ +{{{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GA.. @ */ +{{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GC.. @ */ +{{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GG.. @ */ +{{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}, +/* CG.GU.. @ */ +{{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}, +{ -100, -989, -989, -989, -989}}}, +/* CG.U@.. @ */ +{{{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UA.. @ */ +{{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UC.. @ */ +{{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UG.. @ */ +{{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}, +/* CG.UU.. @ */ +{{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}, +{ -100, -859, -789, -859, -909}}}}}, +{ /* noPair */ {{{{0}}}}, +/* GC.@@..CG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@A..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* GC.@C..CG */ +{{ 0, 0, 0, 0, 0}, +{ -949, -949, -949, -949, -949}, +{ -449, -449, -449, -449, -449}, +{ -939, -939, -939, -939, -939}, +{ -739, -739, -739, -739, -739}}, +/* GC.@G..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* GC.@U..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -669, -669, -669, -669, -669}, +{ -939, -939, -939, -939, -939}, +{ -859, -859, -859, -859, -859}}}, +/* GC.A@..CG */ +{{{ -50, -519, -879, -559, -879}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AA..CG */ +{{ -50, -519, -879, -559, -879}, +{-1079,-1548,-1908,-1588,-1908}, +{ -569,-1038,-1398,-1078,-1398}, +{ -989,-1458,-1818,-1498,-1818}, +{ -859,-1328,-1688,-1368,-1688}}, +/* GC.AC..CG */ +{{ -50, -519, -879, -559, -879}, +{ -999,-1468,-1828,-1508,-1828}, +{ -499, -968,-1328,-1008,-1328}, +{ -989,-1458,-1818,-1498,-1818}, +{ -789,-1258,-1618,-1298,-1618}}, +/* GC.AG..CG */ +{{ -50, -519, -879, -559, -879}, +{-1079,-1548,-1908,-1588,-1908}, +{ -569,-1038,-1398,-1078,-1398}, +{ -989,-1458,-1818,-1498,-1818}, +{ -859,-1328,-1688,-1368,-1688}}, +/* GC.AU..CG */ +{{ -50, -519, -879, -559, -879}, +{-1079,-1548,-1908,-1588,-1908}, +{ -719,-1188,-1548,-1228,-1548}, +{ -989,-1458,-1818,-1498,-1818}, +{ -909,-1378,-1738,-1418,-1738}}}, +/* GC.C@..CG */ +{{{ -50, -719, -309, -309, -389}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CA..CG */ +{{ -50, -719, -309, -309, -389}, +{-1079,-1748,-1338,-1338,-1418}, +{ -569,-1238, -828, -828, -908}, +{ -989,-1658,-1248,-1248,-1328}, +{ -859,-1528,-1118,-1118,-1198}}, +/* GC.CC..CG */ +{{ -50, -719, -309, -309, -389}, +{ -999,-1668,-1258,-1258,-1338}, +{ -499,-1168, -758, -758, -838}, +{ -989,-1658,-1248,-1248,-1328}, +{ -789,-1458,-1048,-1048,-1128}}, +/* GC.CG..CG */ +{{ -50, -719, -309, -309, -389}, +{-1079,-1748,-1338,-1338,-1418}, +{ -569,-1238, -828, -828, -908}, +{ -989,-1658,-1248,-1248,-1328}, +{ -859,-1528,-1118,-1118,-1198}}, +/* GC.CU..CG */ +{{ -50, -719, -309, -309, -389}, +{-1079,-1748,-1338,-1338,-1418}, +{ -719,-1388, -978, -978,-1058}, +{ -989,-1658,-1248,-1248,-1328}, +{ -909,-1578,-1168,-1168,-1248}}}, +/* GC.G@..CG */ +{{{ -50, -709, -739, -619, -739}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GA..CG */ +{{ -50, -709, -739, -619, -739}, +{-1079,-1738,-1768,-1648,-1768}, +{ -569,-1228,-1258,-1138,-1258}, +{ -989,-1648,-1678,-1558,-1678}, +{ -859,-1518,-1548,-1428,-1548}}, +/* GC.GC..CG */ +{{ -50, -709, -739, -619, -739}, +{ -999,-1658,-1688,-1568,-1688}, +{ -499,-1158,-1188,-1068,-1188}, +{ -989,-1648,-1678,-1558,-1678}, +{ -789,-1448,-1478,-1358,-1478}}, +/* GC.GG..CG */ +{{ -50, -709, -739, -619, -739}, +{-1079,-1738,-1768,-1648,-1768}, +{ -569,-1228,-1258,-1138,-1258}, +{ -989,-1648,-1678,-1558,-1678}, +{ -859,-1518,-1548,-1428,-1548}}, +/* GC.GU..CG */ +{{ -50, -709, -739, -619, -739}, +{-1079,-1738,-1768,-1648,-1768}, +{ -719,-1378,-1408,-1288,-1408}, +{ -989,-1648,-1678,-1558,-3080}, +{ -909,-1568,-1598,-1478,-1598}}}, +/* GC.U@..CG */ +{{{ -50, -499, -499, -499, -569}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UA..CG */ +{{ -50, -499, -499, -499, -569}, +{-1079,-1528,-1528,-1528,-1598}, +{ -569,-1018,-1018,-1018,-1088}, +{ -989,-1438,-1438,-1438,-1508}, +{ -859,-1308,-1308,-1308,-1378}}, +/* GC.UC..CG */ +{{ -50, -499, -499, -499, -569}, +{ -999,-1448,-1448,-1448,-1518}, +{ -499, -948, -948, -948,-1018}, +{ -989,-1438,-1438,-1438,-1508}, +{ -789,-1238,-1238,-1238,-1308}}, +/* GC.UG..CG */ +{{ -50, -499, -499, -499, -569}, +{-1079,-1528,-1528,-1528,-1598}, +{ -569,-1018,-1018,-1018,-1088}, +{ -989,-1438,-1438,-1438,-1508}, +{ -859,-1308,-1308,-1308,-1378}}, +/* GC.UU..CG */ +{{ -50, -499, -499, -499, -569}, +{-1079,-1528,-1528,-1528,-1598}, +{ -719,-1168,-1168,-1168,-1238}, +{ -989,-1438,-1438,-1438,-1508}, +{ -909,-1358,-1358,-1358,-1428}}}}, +/* GC.@@..GC */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@A..GC */ +{{ 0, 0, 0, 0, 0}, +{ -519, -519, -519, -519, -519}, +{ -719, -719, -719, -719, -719}, +{ -709, -709, -709, -709, -709}, +{ -499, -499, -499, -499, -499}}, +/* GC.@C..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -309, -309, -309, -309, -309}, +{ -739, -739, -739, -739, -739}, +{ -499, -499, -499, -499, -499}}, +/* GC.@G..GC */ +{{ 0, 0, 0, 0, 0}, +{ -559, -559, -559, -559, -559}, +{ -309, -309, -309, -309, -309}, +{ -619, -619, -619, -619, -619}, +{ -499, -499, -499, -499, -499}}, +/* GC.@U..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -389, -389, -389, -389, -389}, +{ -739, -739, -739, -739, -739}, +{ -569, -569, -569, -569, -569}}}, +/* GC.A@..GC */ +{{{ -50, -519, -879, -559, -879}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AA..GC */ +{{ -50, -519, -879, -559, -879}, +{ -569,-1038,-1398,-1078,-1398}, +{ -769,-1238,-1598,-1278,-1598}, +{ -759,-1228,-1588,-1268,-1588}, +{ -549,-1018,-1378,-1058,-1378}}, +/* GC.AC..GC */ +{{ -50, -519, -879, -559, -879}, +{ -929,-1398,-1758,-1438,-1758}, +{ -359, -828,-1188, -868,-1188}, +{ -789,-1258,-1618,-1298,-1618}, +{ -549,-1018,-1378,-1058,-1378}}, +/* GC.AG..GC */ +{{ -50, -519, -879, -559, -879}, +{ -609,-1078,-1438,-1118,-1438}, +{ -359, -828,-1188, -868,-1188}, +{ -669,-1138,-1498,-1178,-1498}, +{ -549,-1018,-1378,-1058,-1378}}, +/* GC.AU..GC */ +{{ -50, -519, -879, -559, -879}, +{ -929,-1398,-1758,-1438,-1758}, +{ -439, -908,-1268, -948,-1268}, +{ -789,-1258,-1618,-1298,-1618}, +{ -619,-1088,-1448,-1128,-1448}}}, +/* GC.C@..GC */ +{{{ -50, -719, -309, -309, -389}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CA..GC */ +{{ -50, -719, -309, -309, -389}, +{ -569,-1238, -828, -828, -908}, +{ -769,-1438,-1028,-1028,-1108}, +{ -759,-1428,-1018,-1018,-1098}, +{ -549,-1218, -808, -808, -888}}, +/* GC.CC..GC */ +{{ -50, -719, -309, -309, -389}, +{ -929,-1598,-1188,-1188,-1268}, +{ -359,-1028, -618, -618, -698}, +{ -789,-1458,-1048,-1048,-1128}, +{ -549,-1218, -808, -808, -888}}, +/* GC.CG..GC */ +{{ -50, -719, -309, -309, -389}, +{ -609,-1278, -868, -868, -948}, +{ -359,-1028, -618, -618, -698}, +{ -669,-1338, -928, -928,-1008}, +{ -549,-1218, -808, -808, -888}}, +/* GC.CU..GC */ +{{ -50, -719, -309, -309, -389}, +{ -929,-1598,-1188,-1188,-1268}, +{ -439,-1108, -698, -698, -778}, +{ -789,-1458,-1048,-1048,-1128}, +{ -619,-1288, -878, -878, -958}}}, +/* GC.G@..GC */ +{{{ -50, -709, -739, -619, -739}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GA..GC */ +{{ -50, -709, -739, -619, -739}, +{ -569,-1228,-1258,-1138,-1258}, +{ -769,-1428,-1458,-1338,-1458}, +{ -759,-1418,-1448,-1328,-1448}, +{ -549,-1208,-1238,-1118,-1238}}, +/* GC.GC..GC */ +{{ -50, -709, -739, -619, -739}, +{ -929,-1588,-1618,-1498,-1618}, +{ -359,-1018,-1048, -928,-1048}, +{ -789,-1448,-1478,-1358,-1478}, +{ -549,-1208,-1238,-1118,-1238}}, +/* GC.GG..GC */ +{{ -50, -709, -739, -619, -739}, +{ -609,-1268,-1298,-1178,-1298}, +{ -359,-1018,-1048, -928,-1048}, +{ -669,-1328,-1358,-1238,-1358}, +{ -549,-1208,-1238,-1118,-1238}}, +/* GC.GU..GC */ +{{ -50, -709, -739, -619, -739}, +{ -929,-1588,-1618,-1498,-1618}, +{ -439,-1098,-1128,-1008,-1128}, +{ -789,-1448,-1478,-1358,-3080}, +{ -619,-1278,-1308,-1188,-1308}}}, +/* GC.U@..GC */ +{{{ -50, -499, -499, -499, -569}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UA..GC */ +{{ -50, -499, -499, -499, -569}, +{ -569,-1018,-1018,-1018,-1088}, +{ -769,-1218,-1218,-1218,-1288}, +{ -759,-1208,-1208,-1208,-1278}, +{ -549, -998, -998, -998,-1068}}, +/* GC.UC..GC */ +{{ -50, -499, -499, -499, -569}, +{ -929,-1378,-1378,-1378,-1448}, +{ -359, -808, -808, -808, -878}, +{ -789,-1238,-1238,-1238,-1308}, +{ -549, -998, -998, -998,-1068}}, +/* GC.UG..GC */ +{{ -50, -499, -499, -499, -569}, +{ -609,-1058,-1058,-1058,-1128}, +{ -359, -808, -808, -808, -878}, +{ -669,-1118,-1118,-1118,-1188}, +{ -549, -998, -998, -998,-1068}}, +/* GC.UU..GC */ +{{ -50, -499, -499, -499, -569}, +{ -929,-1378,-1378,-1378,-1448}, +{ -439, -888, -888, -888, -958}, +{ -789,-1238,-1238,-1238,-1308}, +{ -619,-1068,-1068,-1068,-1138}}}}, +/* GC.@@..GU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@A..GU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* GC.@C..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GC.@G..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GC.@U..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* GC.A@..GU */ +{{{ -50, -519, -879, -559, -879}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AA..GU */ +{{ -50, -519, -879, -559, -879}, +{ -479, -948,-1308, -988,-1308}, +{ -309, -778,-1138, -818,-1138}, +{ -389, -858,-1218, -898,-1218}, +{ -379, -848,-1208, -888,-1208}}, +/* GC.AC..GU */ +{{ -50, -519, -879, -559, -879}, +{ -649,-1118,-1478,-1158,-1478}, +{ -289, -758,-1118, -798,-1118}, +{ -739,-1208,-1568,-1248,-1568}, +{ -379, -848,-1208, -888,-1208}}, +/* GC.AG..GU */ +{{ -50, -519, -879, -559, -879}, +{ -649,-1118,-1478,-1158,-1478}, +{ -289, -758,-1118, -798,-1118}, +{ -739,-1208,-1568,-1248,-1568}, +{ -379, -848,-1208, -888,-1208}}, +/* GC.AU..GU */ +{{ -50, -519, -879, -559, -879}, +{ -649,-1118,-1478,-1158,-1478}, +{ -289, -758,-1118, -798,-1118}, +{ -739,-1208,-1568,-1248,-1568}, +{ -379, -848,-1208, -888,-1208}}}, +/* GC.C@..GU */ +{{{ -50, -719, -309, -309, -389}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CA..GU */ +{{ -50, -719, -309, -309, -389}, +{ -479,-1148, -738, -738, -818}, +{ -309, -978, -568, -568, -648}, +{ -389,-1058, -648, -648, -728}, +{ -379,-1048, -638, -638, -718}}, +/* GC.CC..GU */ +{{ -50, -719, -309, -309, -389}, +{ -649,-1318, -908, -908, -988}, +{ -289, -958, -548, -548, -628}, +{ -739,-1408, -998, -998,-1078}, +{ -379,-1048, -638, -638, -718}}, +/* GC.CG..GU */ +{{ -50, -719, -309, -309, -389}, +{ -649,-1318, -908, -908, -988}, +{ -289, -958, -548, -548, -628}, +{ -739,-1408, -998, -998,-1078}, +{ -379,-1048, -638, -638, -718}}, +/* GC.CU..GU */ +{{ -50, -719, -309, -309, -389}, +{ -649,-1318, -908, -908, -988}, +{ -289, -958, -548, -548, -628}, +{ -739,-1408, -998, -998,-1078}, +{ -379,-1048, -638, -638, -718}}}, +/* GC.G@..GU */ +{{{ -50, -709, -739, -619, -739}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GA..GU */ +{{ -50, -709, -739, -619, -739}, +{ -479,-1138,-1168,-1048,-1168}, +{ -309, -968, -998, -878, -998}, +{ -389,-1048,-1078, -958,-1078}, +{ -379,-1038,-1068, -948,-1068}}, +/* GC.GC..GU */ +{{ -50, -709, -739, -619, -739}, +{ -649,-1308,-1338,-1218,-1338}, +{ -289, -948, -978, -858, -978}, +{ -739,-1398,-1428,-1308,-1428}, +{ -379,-1038,-1068, -948,-1068}}, +/* GC.GG..GU */ +{{ -50, -709, -739, -619, -739}, +{ -649,-1308,-1338,-1218,-1338}, +{ -289, -948, -978, -858, -978}, +{ -739,-1398,-1428,-1308,-1428}, +{ -379,-1038,-1068, -948,-1068}}, +/* GC.GU..GU */ +{{ -50, -709, -739, -619, -739}, +{ -649,-1308,-1338,-1218,-1338}, +{ -289, -948, -978, -858, -978}, +{ -739,-1398,-1428,-1308,-1428}, +{ -379,-1038,-1068, -948,-1068}}}, +/* GC.U@..GU */ +{{{ -50, -499, -499, -499, -569}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UA..GU */ +{{ -50, -499, -499, -499, -569}, +{ -479, -928, -928, -928, -998}, +{ -309, -758, -758, -758, -828}, +{ -389, -838, -838, -838, -908}, +{ -379, -828, -828, -828, -898}}, +/* GC.UC..GU */ +{{ -50, -499, -499, -499, -569}, +{ -649,-1098,-1098,-1098,-1168}, +{ -289, -738, -738, -738, -808}, +{ -739,-1188,-1188,-1188,-1258}, +{ -379, -828, -828, -828, -898}}, +/* GC.UG..GU */ +{{ -50, -499, -499, -499, -569}, +{ -649,-1098,-1098,-1098,-1168}, +{ -289, -738, -738, -738, -808}, +{ -739,-1188,-1188,-1188,-1258}, +{ -379, -828, -828, -828, -898}}, +/* GC.UU..GU */ +{{ -50, -499, -499, -499, -569}, +{ -649,-1098,-1098,-1098,-1168}, +{ -289, -738, -738, -738, -808}, +{ -739,-1188,-1188,-1188,-1258}, +{ -379, -828, -828, -828, -898}}}}, +/* GC.@@..UG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@A..UG */ +{{ 0, 0, 0, 0, 0}, +{ -719, -719, -719, -719, -719}, +{ -479, -479, -479, -479, -479}, +{ -659, -659, -659, -659, -659}, +{ -549, -549, -549, -549, -549}}, +/* GC.@C..UG */ +{{ 0, 0, 0, 0, 0}, +{ -789, -789, -789, -789, -789}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -439, -439, -439, -439, -439}}, +/* GC.@G..UG */ +{{ 0, 0, 0, 0, 0}, +{ -959, -959, -959, -959, -959}, +{ -359, -359, -359, -359, -359}, +{ -919, -919, -919, -919, -919}, +{ -549, -549, -549, -549, -549}}, +/* GC.@U..UG */ +{{ 0, 0, 0, 0, 0}, +{ -809, -809, -809, -809, -809}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -359, -359, -359, -359, -359}}}, +/* GC.A@..UG */ +{{{ -50, -519, -879, -559, -879}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AA..UG */ +{{ -50, -519, -879, -559, -879}, +{ -769,-1238,-1598,-1278,-1598}, +{ -529, -998,-1358,-1038,-1358}, +{ -709,-1178,-1538,-1218,-1538}, +{ -599,-1068,-1428,-1108,-1428}}, +/* GC.AC..UG */ +{{ -50, -519, -879, -559, -879}, +{ -839,-1308,-1668,-1348,-1668}, +{ -529, -998,-1358,-1038,-1358}, +{ -859,-1328,-1688,-1368,-1688}, +{ -489, -958,-1318, -998,-1318}}, +/* GC.AG..UG */ +{{ -50, -519, -879, -559, -879}, +{-1009,-1478,-1838,-1518,-1838}, +{ -409, -878,-1238, -918,-1238}, +{ -969,-1438,-1798,-1478,-1798}, +{ -599,-1068,-1428,-1108,-1428}}, +/* GC.AU..UG */ +{{ -50, -519, -879, -559, -879}, +{ -859,-1328,-1688,-1368,-1688}, +{ -529, -998,-1358,-1038,-1358}, +{ -859,-1328,-1688,-1368,-1688}, +{ -409, -878,-1238, -918,-1238}}}, +/* GC.C@..UG */ +{{{ -50, -719, -309, -309, -389}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CA..UG */ +{{ -50, -719, -309, -309, -389}, +{ -769,-1438,-1028,-1028,-1108}, +{ -529,-1198, -788, -788, -868}, +{ -709,-1378, -968, -968,-1048}, +{ -599,-1268, -858, -858, -938}}, +/* GC.CC..UG */ +{{ -50, -719, -309, -309, -389}, +{ -839,-1508,-1098,-1098,-1178}, +{ -529,-1198, -788, -788, -868}, +{ -859,-1528,-1118,-1118,-1198}, +{ -489,-1158, -748, -748, -828}}, +/* GC.CG..UG */ +{{ -50, -719, -309, -309, -389}, +{-1009,-1678,-1268,-1268,-1348}, +{ -409,-1078, -668, -668, -748}, +{ -969,-1638,-1228,-1228,-1308}, +{ -599,-1268, -858, -858, -938}}, +/* GC.CU..UG */ +{{ -50, -719, -309, -309, -389}, +{ -859,-1528,-1118,-1118,-1198}, +{ -529,-1198, -788, -788, -868}, +{ -859,-1528,-1118,-1118,-1198}, +{ -409,-1078, -668, -668, -748}}}, +/* GC.G@..UG */ +{{{ -50, -709, -739, -619, -739}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GA..UG */ +{{ -50, -709, -739, -619, -739}, +{ -769,-1428,-1458,-1338,-1458}, +{ -529,-1188,-1218,-1098,-1218}, +{ -709,-1368,-1398,-1278,-1398}, +{ -599,-1258,-1288,-1168,-1288}}, +/* GC.GC..UG */ +{{ -50, -709, -739, -619, -739}, +{ -839,-1498,-1528,-1408,-1528}, +{ -529,-1188,-1218,-1098,-1218}, +{ -859,-1518,-1548,-1428,-1548}, +{ -489,-1148,-1178,-1058,-1178}}, +/* GC.GG..UG */ +{{ -50, -709, -739, -619, -739}, +{-1009,-1668,-1698,-1578,-1698}, +{ -409,-1068,-1098, -978,-1098}, +{ -969,-1628,-1658,-1538,-1658}, +{ -599,-1258,-1288,-1168,-1288}}, +/* GC.GU..UG */ +{{ -50, -709, -739, -619, -739}, +{ -859,-1518,-1548,-1428,-1548}, +{ -529,-1188,-1218,-1098,-1218}, +{ -859,-1518,-1548,-1428,-1548}, +{ -409,-1068,-1098, -978,-1098}}}, +/* GC.U@..UG */ +{{{ -50, -499, -499, -499, -569}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UA..UG */ +{{ -50, -499, -499, -499, -569}, +{ -769,-1218,-1218,-1218,-1288}, +{ -529, -978, -978, -978,-1048}, +{ -709,-1158,-1158,-1158,-1228}, +{ -599,-1048,-1048,-1048,-1118}}, +/* GC.UC..UG */ +{{ -50, -499, -499, -499, -569}, +{ -839,-1288,-1288,-1288,-1358}, +{ -529, -978, -978, -978,-1048}, +{ -859,-1308,-1308,-1308,-1378}, +{ -489, -938, -938, -938,-1008}}, +/* GC.UG..UG */ +{{ -50, -499, -499, -499, -569}, +{-1009,-1458,-1458,-1458,-1528}, +{ -409, -858, -858, -858, -928}, +{ -969,-1418,-1418,-1418,-1488}, +{ -599,-1048,-1048,-1048,-1118}}, +/* GC.UU..UG */ +{{ -50, -499, -499, -499, -569}, +{ -859,-1308,-1308,-1308,-1378}, +{ -529, -978, -978, -978,-1048}, +{ -859,-1308,-1308,-1308,-1378}, +{ -409, -858, -858, -858, -928}}}}, +/* GC.@@..AU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@A..AU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* GC.@C..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GC.@G..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GC.@U..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* GC.A@..AU */ +{{{ -50, -519, -879, -559, -879}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AA..AU */ +{{ -50, -519, -879, -559, -879}, +{ -479, -948,-1308, -988,-1308}, +{ -309, -778,-1138, -818,-1138}, +{ -389, -858,-1218, -898,-1218}, +{ -379, -848,-1208, -888,-1208}}, +/* GC.AC..AU */ +{{ -50, -519, -879, -559, -879}, +{ -649,-1118,-1478,-1158,-1478}, +{ -289, -758,-1118, -798,-1118}, +{ -739,-1208,-1568,-1248,-1568}, +{ -379, -848,-1208, -888,-1208}}, +/* GC.AG..AU */ +{{ -50, -519, -879, -559, -879}, +{ -649,-1118,-1478,-1158,-1478}, +{ -289, -758,-1118, -798,-1118}, +{ -739,-1208,-1568,-1248,-1568}, +{ -379, -848,-1208, -888,-1208}}, +/* GC.AU..AU */ +{{ -50, -519, -879, -559, -879}, +{ -649,-1118,-1478,-1158,-1478}, +{ -289, -758,-1118, -798,-1118}, +{ -739,-1208,-1568,-1248,-1568}, +{ -379, -848,-1208, -888,-1208}}}, +/* GC.C@..AU */ +{{{ -50, -719, -309, -309, -389}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CA..AU */ +{{ -50, -719, -309, -309, -389}, +{ -479,-1148, -738, -738, -818}, +{ -309, -978, -568, -568, -648}, +{ -389,-1058, -648, -648, -728}, +{ -379,-1048, -638, -638, -718}}, +/* GC.CC..AU */ +{{ -50, -719, -309, -309, -389}, +{ -649,-1318, -908, -908, -988}, +{ -289, -958, -548, -548, -628}, +{ -739,-1408, -998, -998,-1078}, +{ -379,-1048, -638, -638, -718}}, +/* GC.CG..AU */ +{{ -50, -719, -309, -309, -389}, +{ -649,-1318, -908, -908, -988}, +{ -289, -958, -548, -548, -628}, +{ -739,-1408, -998, -998,-1078}, +{ -379,-1048, -638, -638, -718}}, +/* GC.CU..AU */ +{{ -50, -719, -309, -309, -389}, +{ -649,-1318, -908, -908, -988}, +{ -289, -958, -548, -548, -628}, +{ -739,-1408, -998, -998,-1078}, +{ -379,-1048, -638, -638, -718}}}, +/* GC.G@..AU */ +{{{ -50, -709, -739, -619, -739}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GA..AU */ +{{ -50, -709, -739, -619, -739}, +{ -479,-1138,-1168,-1048,-1168}, +{ -309, -968, -998, -878, -998}, +{ -389,-1048,-1078, -958,-1078}, +{ -379,-1038,-1068, -948,-1068}}, +/* GC.GC..AU */ +{{ -50, -709, -739, -619, -739}, +{ -649,-1308,-1338,-1218,-1338}, +{ -289, -948, -978, -858, -978}, +{ -739,-1398,-1428,-1308,-1428}, +{ -379,-1038,-1068, -948,-1068}}, +/* GC.GG..AU */ +{{ -50, -709, -739, -619, -739}, +{ -649,-1308,-1338,-1218,-1338}, +{ -289, -948, -978, -858, -978}, +{ -739,-1398,-1428,-1308,-1428}, +{ -379,-1038,-1068, -948,-1068}}, +/* GC.GU..AU */ +{{ -50, -709, -739, -619, -739}, +{ -649,-1308,-1338,-1218,-1338}, +{ -289, -948, -978, -858, -978}, +{ -739,-1398,-1428,-1308,-1428}, +{ -379,-1038,-1068, -948,-1068}}}, +/* GC.U@..AU */ +{{{ -50, -499, -499, -499, -569}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UA..AU */ +{{ -50, -499, -499, -499, -569}, +{ -479, -928, -928, -928, -998}, +{ -309, -758, -758, -758, -828}, +{ -389, -838, -838, -838, -908}, +{ -379, -828, -828, -828, -898}}, +/* GC.UC..AU */ +{{ -50, -499, -499, -499, -569}, +{ -649,-1098,-1098,-1098,-1168}, +{ -289, -738, -738, -738, -808}, +{ -739,-1188,-1188,-1188,-1258}, +{ -379, -828, -828, -828, -898}}, +/* GC.UG..AU */ +{{ -50, -499, -499, -499, -569}, +{ -649,-1098,-1098,-1098,-1168}, +{ -289, -738, -738, -738, -808}, +{ -739,-1188,-1188,-1188,-1258}, +{ -379, -828, -828, -828, -898}}, +/* GC.UU..AU */ +{{ -50, -499, -499, -499, -569}, +{ -649,-1098,-1098,-1098,-1168}, +{ -289, -738, -738, -738, -808}, +{ -739,-1188,-1188,-1188,-1258}, +{ -379, -828, -828, -828, -898}}}}, +/* GC.@@..UA */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@A..UA */ +{{ 0, 0, 0, 0, 0}, +{ -399, -399, -399, -399, -399}, +{ -429, -429, -429, -429, -429}, +{ -379, -379, -379, -379, -379}, +{ -279, -279, -279, -279, -279}}, +/* GC.@C..UA */ +{{ 0, 0, 0, 0, 0}, +{ -629, -629, -629, -629, -629}, +{ -509, -509, -509, -509, -509}, +{ -679, -679, -679, -679, -679}, +{ -139, -139, -139, -139, -139}}, +/* GC.@G..UA */ +{{ 0, 0, 0, 0, 0}, +{ -889, -889, -889, -889, -889}, +{ -199, -199, -199, -199, -199}, +{ -889, -889, -889, -889, -889}, +{ -279, -279, -279, -279, -279}}, +/* GC.@U..UA */ +{{ 0, 0, 0, 0, 0}, +{ -589, -589, -589, -589, -589}, +{ -179, -179, -179, -179, -179}, +{ -679, -679, -679, -679, -679}, +{ -140, -140, -140, -140, -140}}}, +/* GC.A@..UA */ +{{{ -50, -519, -879, -559, -879}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AA..UA */ +{{ -50, -519, -879, -559, -879}, +{ -449, -918,-1278, -958,-1278}, +{ -479, -948,-1308, -988,-1308}, +{ -429, -898,-1258, -938,-1258}, +{ -329, -798,-1158, -838,-1158}}, +/* GC.AC..UA */ +{{ -50, -519, -879, -559, -879}, +{ -679,-1148,-1508,-1188,-1508}, +{ -559,-1028,-1388,-1068,-1388}, +{ -729,-1198,-1558,-1238,-1558}, +{ -189, -658,-1018, -698,-1018}}, +/* GC.AG..UA */ +{{ -50, -519, -879, -559, -879}, +{ -939,-1408,-1768,-1448,-1768}, +{ -249, -718,-1078, -758,-1078}, +{ -939,-1408,-1768,-1448,-1768}, +{ -329, -798,-1158, -838,-1158}}, +/* GC.AU..UA */ +{{ -50, -519, -879, -559, -879}, +{ -639,-1108,-1468,-1148,-1468}, +{ -229, -698,-1058, -738,-1058}, +{ -729,-1198,-1558,-1238,-1558}, +{ -190, -659,-1019, -699,-1019}}}, +/* GC.C@..UA */ +{{{ -50, -719, -309, -309, -389}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CA..UA */ +{{ -50, -719, -309, -309, -389}, +{ -449,-1118, -708, -708, -788}, +{ -479,-1148, -738, -738, -818}, +{ -429,-1098, -688, -688, -768}, +{ -329, -998, -588, -588, -668}}, +/* GC.CC..UA */ +{{ -50, -719, -309, -309, -389}, +{ -679,-1348, -938, -938,-1018}, +{ -559,-1228, -818, -818, -898}, +{ -729,-1398, -988, -988,-1068}, +{ -189, -858, -448, -448, -528}}, +/* GC.CG..UA */ +{{ -50, -719, -309, -309, -389}, +{ -939,-1608,-1198,-1198,-1278}, +{ -249, -918, -508, -508, -588}, +{ -939,-1608,-1198,-1198,-1278}, +{ -329, -998, -588, -588, -668}}, +/* GC.CU..UA */ +{{ -50, -719, -309, -309, -389}, +{ -639,-1308, -898, -898, -978}, +{ -229, -898, -488, -488, -568}, +{ -729,-1398, -988, -988,-1068}, +{ -190, -859, -449, -449, -529}}}, +/* GC.G@..UA */ +{{{ -50, -709, -739, -619, -739}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GA..UA */ +{{ -50, -709, -739, -619, -739}, +{ -449,-1108,-1138,-1018,-1138}, +{ -479,-1138,-1168,-1048,-1168}, +{ -429,-1088,-1118, -998,-1118}, +{ -329, -988,-1018, -898,-1018}}, +/* GC.GC..UA */ +{{ -50, -709, -739, -619, -739}, +{ -679,-1338,-1368,-1248,-1368}, +{ -559,-1218,-1248,-1128,-1248}, +{ -729,-1388,-1418,-1298,-1418}, +{ -189, -848, -878, -758, -878}}, +/* GC.GG..UA */ +{{ -50, -709, -739, -619, -739}, +{ -939,-1598,-1628,-1508,-1628}, +{ -249, -908, -938, -818, -938}, +{ -939,-1598,-1628,-1508,-1628}, +{ -329, -988,-1018, -898,-1018}}, +/* GC.GU..UA */ +{{ -50, -709, -739, -619, -739}, +{ -639,-1298,-1328,-1208,-1328}, +{ -229, -888, -918, -798, -918}, +{ -729,-1388,-1418,-1298,-1418}, +{ -190, -849, -879, -759, -879}}}, +/* GC.U@..UA */ +{{{ -50, -499, -499, -499, -569}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UA..UA */ +{{ -50, -499, -499, -499, -569}, +{ -449, -898, -898, -898, -968}, +{ -479, -928, -928, -928, -998}, +{ -429, -878, -878, -878, -948}, +{ -329, -778, -778, -778, -848}}, +/* GC.UC..UA */ +{{ -50, -499, -499, -499, -569}, +{ -679,-1128,-1128,-1128,-1198}, +{ -559,-1008,-1008,-1008,-1078}, +{ -729,-1178,-1178,-1178,-1248}, +{ -189, -638, -638, -638, -708}}, +/* GC.UG..UA */ +{{ -50, -499, -499, -499, -569}, +{ -939,-1388,-1388,-1388,-1458}, +{ -249, -698, -698, -698, -768}, +{ -939,-1388,-1388,-1388,-1458}, +{ -329, -778, -778, -778, -848}}, +/* GC.UU..UA */ +{{ -50, -499, -499, -499, -569}, +{ -639,-1088,-1088,-1088,-1158}, +{ -229, -678, -678, -678, -748}, +{ -729,-1178,-1178,-1178,-1248}, +{ -190, -639, -639, -639, -709}}}}, +/* GC.@@.. @ */ +{{{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@A.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@C.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@G.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GC.@U.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}}, +/* GC.A@.. @ */ +{{{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AA.. @ */ +{{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AC.. @ */ +{{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AG.. @ */ +{{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}, +/* GC.AU.. @ */ +{{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}, +{ -100, -569, -929, -609, -929}}}, +/* GC.C@.. @ */ +{{{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CA.. @ */ +{{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CC.. @ */ +{{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CG.. @ */ +{{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}, +/* GC.CU.. @ */ +{{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}, +{ -100, -769, -359, -359, -439}}}, +/* GC.G@.. @ */ +{{{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GA.. @ */ +{{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GC.. @ */ +{{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GG.. @ */ +{{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}, +/* GC.GU.. @ */ +{{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}, +{ -100, -759, -789, -669, -789}}}, +/* GC.U@.. @ */ +{{{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UA.. @ */ +{{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UC.. @ */ +{{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UG.. @ */ +{{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}, +/* GC.UU.. @ */ +{{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}, +{ -100, -549, -549, -549, -619}}}}}, +{ /* noPair */ {{{{0}}}}, +/* GU.@@..CG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@A..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* GU.@C..CG */ +{{ 0, 0, 0, 0, 0}, +{ -949, -949, -949, -949, -949}, +{ -449, -449, -449, -449, -449}, +{ -939, -939, -939, -939, -939}, +{ -739, -739, -739, -739, -739}}, +/* GU.@G..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* GU.@U..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -669, -669, -669, -669, -669}, +{ -939, -939, -939, -939, -939}, +{ -859, -859, -859, -859, -859}}}, +/* GU.A@..CG */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AA..CG */ +{{ -50, -429, -599, -599, -599}, +{-1079,-1458,-1628,-1628,-1628}, +{ -569, -948,-1118,-1118,-1118}, +{ -989,-1368,-1538,-1538,-1538}, +{ -859,-1238,-1408,-1408,-1408}}, +/* GU.AC..CG */ +{{ -50, -429, -599, -599, -599}, +{ -999,-1378,-1548,-1548,-1548}, +{ -499, -878,-1048,-1048,-1048}, +{ -989,-1368,-1538,-1538,-1538}, +{ -789,-1168,-1338,-1338,-1338}}, +/* GU.AG..CG */ +{{ -50, -429, -599, -599, -599}, +{-1079,-1458,-1628,-1628,-1628}, +{ -569, -948,-1118,-1118,-1118}, +{ -989,-1368,-1538,-1538,-1538}, +{ -859,-1238,-1408,-1408,-1408}}, +/* GU.AU..CG */ +{{ -50, -429, -599, -599, -599}, +{-1079,-1458,-1628,-1628,-1628}, +{ -719,-1098,-1268,-1268,-1268}, +{ -989,-1368,-1538,-1538,-1538}, +{ -909,-1288,-1458,-1458,-1458}}}, +/* GU.C@..CG */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CA..CG */ +{{ -50, -259, -239, -239, -239}, +{-1079,-1288,-1268,-1268,-1268}, +{ -569, -778, -758, -758, -758}, +{ -989,-1198,-1178,-1178,-1178}, +{ -859,-1068,-1048,-1048,-1048}}, +/* GU.CC..CG */ +{{ -50, -259, -239, -239, -239}, +{ -999,-1208,-1188,-1188,-1188}, +{ -499, -708, -688, -688, -688}, +{ -989,-1198,-1178,-1178,-1178}, +{ -789, -998, -978, -978, -978}}, +/* GU.CG..CG */ +{{ -50, -259, -239, -239, -239}, +{-1079,-1288,-1268,-1268,-1268}, +{ -569, -778, -758, -758, -758}, +{ -989,-1198,-1178,-1178,-1178}, +{ -859,-1068,-1048,-1048,-1048}}, +/* GU.CU..CG */ +{{ -50, -259, -239, -239, -239}, +{-1079,-1288,-1268,-1268,-1268}, +{ -719, -928, -908, -908, -908}, +{ -989,-1198,-1178,-1178,-1178}, +{ -909,-1118,-1098,-1098,-1098}}}, +/* GU.G@..CG */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GA..CG */ +{{ -50, -339, -689, -689, -689}, +{-1079,-1368,-1718,-1718,-1718}, +{ -569, -858,-1208,-1208,-1208}, +{ -989,-1278,-1628,-1628,-1628}, +{ -859,-1148,-1498,-1498,-1498}}, +/* GU.GC..CG */ +{{ -50, -339, -689, -689, -689}, +{ -999,-1288,-1638,-1638,-1638}, +{ -499, -788,-1138,-1138,-1138}, +{ -989,-1278,-1628,-1628,-1628}, +{ -789,-1078,-1428,-1428,-1428}}, +/* GU.GG..CG */ +{{ -50, -339, -689, -689, -689}, +{-1079,-1368,-1718,-1718,-1718}, +{ -569, -858,-1208,-1208,-1208}, +{ -989,-1278,-1628,-1628,-1628}, +{ -859,-1148,-1498,-1498,-1498}}, +/* GU.GU..CG */ +{{ -50, -339, -689, -689, -689}, +{-1079,-1368,-1718,-1718,-1718}, +{ -719,-1008,-1358,-1358,-1358}, +{ -989,-1278,-1628,-1628,-1628}, +{ -909,-1198,-1548,-1548,-1548}}}, +/* GU.U@..CG */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UA..CG */ +{{ -50, -329, -329, -329, -329}, +{-1079,-1358,-1358,-1358,-1358}, +{ -569, -848, -848, -848, -848}, +{ -989,-1268,-1268,-1268,-1268}, +{ -859,-1138,-1138,-1138,-1138}}, +/* GU.UC..CG */ +{{ -50, -329, -329, -329, -329}, +{ -999,-1278,-1278,-1278,-1278}, +{ -499, -778, -778, -778, -778}, +{ -989,-1268,-1268,-1268,-1268}, +{ -789,-1068,-1068,-1068,-1068}}, +/* GU.UG..CG */ +{{ -50, -329, -329, -329, -329}, +{-1079,-1358,-1358,-1358,-1358}, +{ -569, -848, -848, -848, -848}, +{ -989,-1268,-1268,-1268,-1268}, +{ -859,-1138,-1138,-1138,-1138}}, +/* GU.UU..CG */ +{{ -50, -329, -329, -329, -329}, +{-1079,-1358,-1358,-1358,-1358}, +{ -719, -998, -998, -998, -998}, +{ -989,-1268,-1268,-1268,-1268}, +{ -909,-1188,-1188,-1188,-1188}}}}, +/* GU.@@..GC */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@A..GC */ +{{ 0, 0, 0, 0, 0}, +{ -519, -519, -519, -519, -519}, +{ -719, -719, -719, -719, -719}, +{ -709, -709, -709, -709, -709}, +{ -499, -499, -499, -499, -499}}, +/* GU.@C..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -309, -309, -309, -309, -309}, +{ -739, -739, -739, -739, -739}, +{ -499, -499, -499, -499, -499}}, +/* GU.@G..GC */ +{{ 0, 0, 0, 0, 0}, +{ -559, -559, -559, -559, -559}, +{ -309, -309, -309, -309, -309}, +{ -619, -619, -619, -619, -619}, +{ -499, -499, -499, -499, -499}}, +/* GU.@U..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -389, -389, -389, -389, -389}, +{ -739, -739, -739, -739, -739}, +{ -569, -569, -569, -569, -569}}}, +/* GU.A@..GC */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AA..GC */ +{{ -50, -429, -599, -599, -599}, +{ -569, -948,-1118,-1118,-1118}, +{ -769,-1148,-1318,-1318,-1318}, +{ -759,-1138,-1308,-1308,-1308}, +{ -549, -928,-1098,-1098,-1098}}, +/* GU.AC..GC */ +{{ -50, -429, -599, -599, -599}, +{ -929,-1308,-1478,-1478,-1478}, +{ -359, -738, -908, -908, -908}, +{ -789,-1168,-1338,-1338,-1338}, +{ -549, -928,-1098,-1098,-1098}}, +/* GU.AG..GC */ +{{ -50, -429, -599, -599, -599}, +{ -609, -988,-1158,-1158,-1158}, +{ -359, -738, -908, -908, -908}, +{ -669,-1048,-1218,-1218,-1218}, +{ -549, -928,-1098,-1098,-1098}}, +/* GU.AU..GC */ +{{ -50, -429, -599, -599, -599}, +{ -929,-1308,-1478,-1478,-1478}, +{ -439, -818, -988, -988, -988}, +{ -789,-1168,-1338,-1338,-1338}, +{ -619, -998,-1168,-1168,-1168}}}, +/* GU.C@..GC */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CA..GC */ +{{ -50, -259, -239, -239, -239}, +{ -569, -778, -758, -758, -758}, +{ -769, -978, -958, -958, -958}, +{ -759, -968, -948, -948, -948}, +{ -549, -758, -738, -738, -738}}, +/* GU.CC..GC */ +{{ -50, -259, -239, -239, -239}, +{ -929,-1138,-1118,-1118,-1118}, +{ -359, -568, -548, -548, -548}, +{ -789, -998, -978, -978, -978}, +{ -549, -758, -738, -738, -738}}, +/* GU.CG..GC */ +{{ -50, -259, -239, -239, -239}, +{ -609, -818, -798, -798, -798}, +{ -359, -568, -548, -548, -548}, +{ -669, -878, -858, -858, -858}, +{ -549, -758, -738, -738, -738}}, +/* GU.CU..GC */ +{{ -50, -259, -239, -239, -239}, +{ -929,-1138,-1118,-1118,-1118}, +{ -439, -648, -628, -628, -628}, +{ -789, -998, -978, -978, -978}, +{ -619, -828, -808, -808, -808}}}, +/* GU.G@..GC */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GA..GC */ +{{ -50, -339, -689, -689, -689}, +{ -569, -858,-1208,-1208,-1208}, +{ -769,-1058,-1408,-1408,-1408}, +{ -759,-1048,-1398,-1398,-1398}, +{ -549, -838,-1188,-1188,-1188}}, +/* GU.GC..GC */ +{{ -50, -339, -689, -689, -689}, +{ -929,-1218,-1568,-1568,-1568}, +{ -359, -648, -998, -998, -998}, +{ -789,-1078,-1428,-1428,-1428}, +{ -549, -838,-1188,-1188,-1188}}, +/* GU.GG..GC */ +{{ -50, -339, -689, -689, -689}, +{ -609, -898,-1248,-1248,-1248}, +{ -359, -648, -998, -998, -998}, +{ -669, -958,-1308,-1308,-1308}, +{ -549, -838,-1188,-1188,-1188}}, +/* GU.GU..GC */ +{{ -50, -339, -689, -689, -689}, +{ -929,-1218,-1568,-1568,-1568}, +{ -439, -728,-1078,-1078,-1078}, +{ -789,-1078,-1428,-1428,-1428}, +{ -619, -908,-1258,-1258,-1258}}}, +/* GU.U@..GC */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UA..GC */ +{{ -50, -329, -329, -329, -329}, +{ -569, -848, -848, -848, -848}, +{ -769,-1048,-1048,-1048,-1048}, +{ -759,-1038,-1038,-1038,-1038}, +{ -549, -828, -828, -828, -828}}, +/* GU.UC..GC */ +{{ -50, -329, -329, -329, -329}, +{ -929,-1208,-1208,-1208,-1208}, +{ -359, -638, -638, -638, -638}, +{ -789,-1068,-1068,-1068,-1068}, +{ -549, -828, -828, -828, -828}}, +/* GU.UG..GC */ +{{ -50, -329, -329, -329, -329}, +{ -609, -888, -888, -888, -888}, +{ -359, -638, -638, -638, -638}, +{ -669, -948, -948, -948, -948}, +{ -549, -828, -828, -828, -828}}, +/* GU.UU..GC */ +{{ -50, -329, -329, -329, -329}, +{ -929,-1208,-1208,-1208,-1208}, +{ -439, -718, -718, -718, -718}, +{ -789,-1068,-1068,-1068,-1068}, +{ -619, -898, -898, -898, -898}}}}, +/* GU.@@..GU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@A..GU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* GU.@C..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GU.@G..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GU.@U..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* GU.A@..GU */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AA..GU */ +{{ -50, -429, -599, -599, -599}, +{ -479, -858,-1028,-1028,-1028}, +{ -309, -688, -858, -858, -858}, +{ -389, -768, -938, -938, -938}, +{ -379, -758, -928, -928, -928}}, +/* GU.AC..GU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* GU.AG..GU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* GU.AU..GU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}}, +/* GU.C@..GU */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CA..GU */ +{{ -50, -259, -239, -239, -239}, +{ -479, -688, -668, -668, -668}, +{ -309, -518, -498, -498, -498}, +{ -389, -598, -578, -578, -578}, +{ -379, -588, -568, -568, -568}}, +/* GU.CC..GU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* GU.CG..GU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* GU.CU..GU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}}, +/* GU.G@..GU */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GA..GU */ +{{ -50, -339, -689, -689, -689}, +{ -479, -768,-1118,-1118,-1118}, +{ -309, -598, -948, -948, -948}, +{ -389, -678,-1028,-1028,-1028}, +{ -379, -668,-1018,-1018,-1018}}, +/* GU.GC..GU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* GU.GG..GU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* GU.GU..GU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}}, +/* GU.U@..GU */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UA..GU */ +{{ -50, -329, -329, -329, -329}, +{ -479, -758, -758, -758, -758}, +{ -309, -588, -588, -588, -588}, +{ -389, -668, -668, -668, -668}, +{ -379, -658, -658, -658, -658}}, +/* GU.UC..GU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* GU.UG..GU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* GU.UU..GU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}}}, +/* GU.@@..UG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@A..UG */ +{{ 0, 0, 0, 0, 0}, +{ -719, -719, -719, -719, -719}, +{ -479, -479, -479, -479, -479}, +{ -659, -659, -659, -659, -659}, +{ -549, -549, -549, -549, -549}}, +/* GU.@C..UG */ +{{ 0, 0, 0, 0, 0}, +{ -789, -789, -789, -789, -789}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -439, -439, -439, -439, -439}}, +/* GU.@G..UG */ +{{ 0, 0, 0, 0, 0}, +{ -959, -959, -959, -959, -959}, +{ -359, -359, -359, -359, -359}, +{ -919, -919, -919, -919, -919}, +{ -549, -549, -549, -549, -549}}, +/* GU.@U..UG */ +{{ 0, 0, 0, 0, 0}, +{ -809, -809, -809, -809, -809}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -359, -359, -359, -359, -359}}}, +/* GU.A@..UG */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AA..UG */ +{{ -50, -429, -599, -599, -599}, +{ -769,-1148,-1318,-1318,-1318}, +{ -529, -908,-1078,-1078,-1078}, +{ -709,-1088,-1258,-1258,-1258}, +{ -599, -978,-1148,-1148,-1148}}, +/* GU.AC..UG */ +{{ -50, -429, -599, -599, -599}, +{ -839,-1218,-1388,-1388,-1388}, +{ -529, -908,-1078,-1078,-1078}, +{ -859,-1238,-1408,-1408,-1408}, +{ -489, -868,-1038,-1038,-1038}}, +/* GU.AG..UG */ +{{ -50, -429, -599, -599, -599}, +{-1009,-1388,-1558,-1558,-1558}, +{ -409, -788, -958, -958, -958}, +{ -969,-1348,-1518,-1518,-1518}, +{ -599, -978,-1148,-1148,-1148}}, +/* GU.AU..UG */ +{{ -50, -429, -599, -599, -599}, +{ -859,-1238,-1408,-1408,-1408}, +{ -529, -908,-1078,-1078,-1078}, +{ -859,-1238,-1408,-1408,-1408}, +{ -409, -788, -958, -958, -958}}}, +/* GU.C@..UG */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CA..UG */ +{{ -50, -259, -239, -239, -239}, +{ -769, -978, -958, -958, -958}, +{ -529, -738, -718, -718, -718}, +{ -709, -918, -898, -898, -898}, +{ -599, -808, -788, -788, -788}}, +/* GU.CC..UG */ +{{ -50, -259, -239, -239, -239}, +{ -839,-1048,-1028,-1028,-1028}, +{ -529, -738, -718, -718, -718}, +{ -859,-1068,-1048,-1048,-1048}, +{ -489, -698, -678, -678, -678}}, +/* GU.CG..UG */ +{{ -50, -259, -239, -239, -239}, +{-1009,-1218,-1198,-1198,-1198}, +{ -409, -618, -598, -598, -598}, +{ -969,-1178,-1158,-1158,-1158}, +{ -599, -808, -788, -788, -788}}, +/* GU.CU..UG */ +{{ -50, -259, -239, -239, -239}, +{ -859,-1068,-1048,-1048,-1048}, +{ -529, -738, -718, -718, -718}, +{ -859,-1068,-1048,-1048,-1048}, +{ -409, -618, -598, -598, -598}}}, +/* GU.G@..UG */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GA..UG */ +{{ -50, -339, -689, -689, -689}, +{ -769,-1058,-1408,-1408,-1408}, +{ -529, -818,-1168,-1168,-1168}, +{ -709, -998,-1348,-1348,-1348}, +{ -599, -888,-1238,-1238,-1238}}, +/* GU.GC..UG */ +{{ -50, -339, -689, -689, -689}, +{ -839,-1128,-1478,-1478,-1478}, +{ -529, -818,-1168,-1168,-1168}, +{ -859,-1148,-1498,-1498,-1498}, +{ -489, -778,-1128,-1128,-1128}}, +/* GU.GG..UG */ +{{ -50, -339, -689, -689, -689}, +{-1009,-1298,-1648,-1648,-1648}, +{ -409, -698,-1048,-1048,-1048}, +{ -969,-1258,-1608,-1608,-1608}, +{ -599, -888,-1238,-1238,-1238}}, +/* GU.GU..UG */ +{{ -50, -339, -689, -689, -689}, +{ -859,-1148,-1498,-1498,-1498}, +{ -529, -818,-1168,-1168,-1168}, +{ -859,-1148,-1498,-1498,-1498}, +{ -409, -698,-1048,-1048,-1048}}}, +/* GU.U@..UG */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UA..UG */ +{{ -50, -329, -329, -329, -329}, +{ -769,-1048,-1048,-1048,-1048}, +{ -529, -808, -808, -808, -808}, +{ -709, -988, -988, -988, -988}, +{ -599, -878, -878, -878, -878}}, +/* GU.UC..UG */ +{{ -50, -329, -329, -329, -329}, +{ -839,-1118,-1118,-1118,-1118}, +{ -529, -808, -808, -808, -808}, +{ -859,-1138,-1138,-1138,-1138}, +{ -489, -768, -768, -768, -768}}, +/* GU.UG..UG */ +{{ -50, -329, -329, -329, -329}, +{-1009,-1288,-1288,-1288,-1288}, +{ -409, -688, -688, -688, -688}, +{ -969,-1248,-1248,-1248,-1248}, +{ -599, -878, -878, -878, -878}}, +/* GU.UU..UG */ +{{ -50, -329, -329, -329, -329}, +{ -859,-1138,-1138,-1138,-1138}, +{ -529, -808, -808, -808, -808}, +{ -859,-1138,-1138,-1138,-1138}, +{ -409, -688, -688, -688, -688}}}}, +/* GU.@@..AU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@A..AU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* GU.@C..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GU.@G..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* GU.@U..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* GU.A@..AU */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AA..AU */ +{{ -50, -429, -599, -599, -599}, +{ -479, -858,-1028,-1028,-1028}, +{ -309, -688, -858, -858, -858}, +{ -389, -768, -938, -938, -938}, +{ -379, -758, -928, -928, -928}}, +/* GU.AC..AU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* GU.AG..AU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* GU.AU..AU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}}, +/* GU.C@..AU */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CA..AU */ +{{ -50, -259, -239, -239, -239}, +{ -479, -688, -668, -668, -668}, +{ -309, -518, -498, -498, -498}, +{ -389, -598, -578, -578, -578}, +{ -379, -588, -568, -568, -568}}, +/* GU.CC..AU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* GU.CG..AU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* GU.CU..AU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}}, +/* GU.G@..AU */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GA..AU */ +{{ -50, -339, -689, -689, -689}, +{ -479, -768,-1118,-1118,-1118}, +{ -309, -598, -948, -948, -948}, +{ -389, -678,-1028,-1028,-1028}, +{ -379, -668,-1018,-1018,-1018}}, +/* GU.GC..AU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* GU.GG..AU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* GU.GU..AU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}}, +/* GU.U@..AU */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UA..AU */ +{{ -50, -329, -329, -329, -329}, +{ -479, -758, -758, -758, -758}, +{ -309, -588, -588, -588, -588}, +{ -389, -668, -668, -668, -668}, +{ -379, -658, -658, -658, -658}}, +/* GU.UC..AU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* GU.UG..AU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* GU.UU..AU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}}}, +/* GU.@@..UA */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@A..UA */ +{{ 0, 0, 0, 0, 0}, +{ -399, -399, -399, -399, -399}, +{ -429, -429, -429, -429, -429}, +{ -379, -379, -379, -379, -379}, +{ -279, -279, -279, -279, -279}}, +/* GU.@C..UA */ +{{ 0, 0, 0, 0, 0}, +{ -629, -629, -629, -629, -629}, +{ -509, -509, -509, -509, -509}, +{ -679, -679, -679, -679, -679}, +{ -139, -139, -139, -139, -139}}, +/* GU.@G..UA */ +{{ 0, 0, 0, 0, 0}, +{ -889, -889, -889, -889, -889}, +{ -199, -199, -199, -199, -199}, +{ -889, -889, -889, -889, -889}, +{ -279, -279, -279, -279, -279}}, +/* GU.@U..UA */ +{{ 0, 0, 0, 0, 0}, +{ -589, -589, -589, -589, -589}, +{ -179, -179, -179, -179, -179}, +{ -679, -679, -679, -679, -679}, +{ -140, -140, -140, -140, -140}}}, +/* GU.A@..UA */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AA..UA */ +{{ -50, -429, -599, -599, -599}, +{ -449, -828, -998, -998, -998}, +{ -479, -858,-1028,-1028,-1028}, +{ -429, -808, -978, -978, -978}, +{ -329, -708, -878, -878, -878}}, +/* GU.AC..UA */ +{{ -50, -429, -599, -599, -599}, +{ -679,-1058,-1228,-1228,-1228}, +{ -559, -938,-1108,-1108,-1108}, +{ -729,-1108,-1278,-1278,-1278}, +{ -189, -568, -738, -738, -738}}, +/* GU.AG..UA */ +{{ -50, -429, -599, -599, -599}, +{ -939,-1318,-1488,-1488,-1488}, +{ -249, -628, -798, -798, -798}, +{ -939,-1318,-1488,-1488,-1488}, +{ -329, -708, -878, -878, -878}}, +/* GU.AU..UA */ +{{ -50, -429, -599, -599, -599}, +{ -639,-1018,-1188,-1188,-1188}, +{ -229, -608, -778, -778, -778}, +{ -729,-1108,-1278,-1278,-1278}, +{ -190, -569, -739, -739, -739}}}, +/* GU.C@..UA */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CA..UA */ +{{ -50, -259, -239, -239, -239}, +{ -449, -658, -638, -638, -638}, +{ -479, -688, -668, -668, -668}, +{ -429, -638, -618, -618, -618}, +{ -329, -538, -518, -518, -518}}, +/* GU.CC..UA */ +{{ -50, -259, -239, -239, -239}, +{ -679, -888, -868, -868, -868}, +{ -559, -768, -748, -748, -748}, +{ -729, -938, -918, -918, -918}, +{ -189, -398, -378, -378, -378}}, +/* GU.CG..UA */ +{{ -50, -259, -239, -239, -239}, +{ -939,-1148,-1128,-1128,-1128}, +{ -249, -458, -438, -438, -438}, +{ -939,-1148,-1128,-1128,-1128}, +{ -329, -538, -518, -518, -518}}, +/* GU.CU..UA */ +{{ -50, -259, -239, -239, -239}, +{ -639, -848, -828, -828, -828}, +{ -229, -438, -418, -418, -418}, +{ -729, -938, -918, -918, -918}, +{ -190, -399, -379, -379, -379}}}, +/* GU.G@..UA */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GA..UA */ +{{ -50, -339, -689, -689, -689}, +{ -449, -738,-1088,-1088,-1088}, +{ -479, -768,-1118,-1118,-1118}, +{ -429, -718,-1068,-1068,-1068}, +{ -329, -618, -968, -968, -968}}, +/* GU.GC..UA */ +{{ -50, -339, -689, -689, -689}, +{ -679, -968,-1318,-1318,-1318}, +{ -559, -848,-1198,-1198,-1198}, +{ -729,-1018,-1368,-1368,-1368}, +{ -189, -478, -828, -828, -828}}, +/* GU.GG..UA */ +{{ -50, -339, -689, -689, -689}, +{ -939,-1228,-1578,-1578,-1578}, +{ -249, -538, -888, -888, -888}, +{ -939,-1228,-1578,-1578,-1578}, +{ -329, -618, -968, -968, -968}}, +/* GU.GU..UA */ +{{ -50, -339, -689, -689, -689}, +{ -639, -928,-1278,-1278,-1278}, +{ -229, -518, -868, -868, -868}, +{ -729,-1018,-1368,-1368,-1368}, +{ -190, -479, -829, -829, -829}}}, +/* GU.U@..UA */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UA..UA */ +{{ -50, -329, -329, -329, -329}, +{ -449, -728, -728, -728, -728}, +{ -479, -758, -758, -758, -758}, +{ -429, -708, -708, -708, -708}, +{ -329, -608, -608, -608, -608}}, +/* GU.UC..UA */ +{{ -50, -329, -329, -329, -329}, +{ -679, -958, -958, -958, -958}, +{ -559, -838, -838, -838, -838}, +{ -729,-1008,-1008,-1008,-1008}, +{ -189, -468, -468, -468, -468}}, +/* GU.UG..UA */ +{{ -50, -329, -329, -329, -329}, +{ -939,-1218,-1218,-1218,-1218}, +{ -249, -528, -528, -528, -528}, +{ -939,-1218,-1218,-1218,-1218}, +{ -329, -608, -608, -608, -608}}, +/* GU.UU..UA */ +{{ -50, -329, -329, -329, -329}, +{ -639, -918, -918, -918, -918}, +{ -229, -508, -508, -508, -508}, +{ -729,-1008,-1008,-1008,-1008}, +{ -190, -469, -469, -469, -469}}}}, +/* GU.@@.. @ */ +{{{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@A.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@C.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@G.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* GU.@U.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}}, +/* GU.A@.. @ */ +{{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AA.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AC.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AG.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* GU.AU.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}}, +/* GU.C@.. @ */ +{{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CA.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CC.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CG.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* GU.CU.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}}, +/* GU.G@.. @ */ +{{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GA.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GC.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GG.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* GU.GU.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}}, +/* GU.U@.. @ */ +{{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UA.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UC.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UG.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* GU.UU.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}}}}, +{ /* noPair */ {{{{0}}}}, +/* UG.@@..CG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@A..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* UG.@C..CG */ +{{ 0, 0, 0, 0, 0}, +{ -949, -949, -949, -949, -949}, +{ -449, -449, -449, -449, -449}, +{ -939, -939, -939, -939, -939}, +{ -739, -739, -739, -739, -739}}, +/* UG.@G..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* UG.@U..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -669, -669, -669, -669, -669}, +{ -939, -939, -939, -939, -939}, +{ -859, -859, -859, -859, -859}}}, +/* UG.A@..CG */ +{{{ -50, -719, -789, -959, -809}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AA..CG */ +{{ -50, -719, -789, -959, -809}, +{-1079,-1748,-1818,-1988,-1838}, +{ -569,-1238,-1308,-1478,-1328}, +{ -989,-1658,-1728,-1898,-1748}, +{ -859,-1528,-1598,-1768,-1618}}, +/* UG.AC..CG */ +{{ -50, -719, -789, -959, -809}, +{ -999,-1668,-1738,-1908,-1758}, +{ -499,-1168,-1238,-1408,-1258}, +{ -989,-1658,-1728,-1898,-1748}, +{ -789,-1458,-1528,-1698,-1548}}, +/* UG.AG..CG */ +{{ -50, -719, -789, -959, -809}, +{-1079,-1748,-1818,-1988,-1838}, +{ -569,-1238,-1308,-1478,-1328}, +{ -989,-1658,-1728,-1898,-1748}, +{ -859,-1528,-1598,-1768,-1618}}, +/* UG.AU..CG */ +{{ -50, -719, -789, -959, -809}, +{-1079,-1748,-1818,-1988,-1838}, +{ -719,-1388,-1458,-1628,-1478}, +{ -989,-1658,-1728,-1898,-1748}, +{ -909,-1578,-1648,-1818,-1668}}}, +/* UG.C@..CG */ +{{{ -50, -479, -479, -359, -479}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CA..CG */ +{{ -50, -479, -479, -359, -479}, +{-1079,-1508,-1508,-1388,-1508}, +{ -569, -998, -998, -878, -998}, +{ -989,-1418,-1418,-1298,-1418}, +{ -859,-1288,-1288,-1168,-1288}}, +/* UG.CC..CG */ +{{ -50, -479, -479, -359, -479}, +{ -999,-1428,-1428,-1308,-1428}, +{ -499, -928, -928, -808, -928}, +{ -989,-1418,-1418,-1298,-1418}, +{ -789,-1218,-1218,-1098,-1218}}, +/* UG.CG..CG */ +{{ -50, -479, -479, -359, -479}, +{-1079,-1508,-1508,-1388,-1508}, +{ -569, -998, -998, -878, -998}, +{ -989,-1418,-1418,-1298,-1418}, +{ -859,-1288,-1288,-1168,-1288}}, +/* UG.CU..CG */ +{{ -50, -479, -479, -359, -479}, +{-1079,-1508,-1508,-1388,-1508}, +{ -719,-1148,-1148,-1028,-1148}, +{ -989,-1418,-1418,-1298,-1418}, +{ -909,-1338,-1338,-1218,-1338}}}, +/* UG.G@..CG */ +{{{ -50, -659, -809, -919, -809}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GA..CG */ +{{ -50, -659, -809, -919, -809}, +{-1079,-1688,-1838,-1948,-1838}, +{ -569,-1178,-1328,-1438,-1328}, +{ -989,-1598,-1748,-1858,-1748}, +{ -859,-1468,-1618,-1728,-1618}}, +/* UG.GC..CG */ +{{ -50, -659, -809, -919, -809}, +{ -999,-1608,-1758,-1868,-1758}, +{ -499,-1108,-1258,-1368,-1258}, +{ -989,-1598,-1748,-1858,-1748}, +{ -789,-1398,-1548,-1658,-1548}}, +/* UG.GG..CG */ +{{ -50, -659, -809, -919, -809}, +{-1079,-1688,-1838,-1948,-1838}, +{ -569,-1178,-1328,-1438,-1328}, +{ -989,-1598,-1748,-1858,-1748}, +{ -859,-1468,-1618,-1728,-1618}}, +/* UG.GU..CG */ +{{ -50, -659, -809, -919, -809}, +{-1079,-1688,-1838,-1948,-1838}, +{ -719,-1328,-1478,-1588,-1478}, +{ -989,-1598,-1748,-1858,-1748}, +{ -909,-1518,-1668,-1778,-1668}}}, +/* UG.U@..CG */ +{{{ -50, -549, -439, -549, -359}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UA..CG */ +{{ -50, -549, -439, -549, -359}, +{-1079,-1578,-1468,-1578,-1388}, +{ -569,-1068, -958,-1068, -878}, +{ -989,-1488,-1378,-1488,-1298}, +{ -859,-1358,-1248,-1358,-1168}}, +/* UG.UC..CG */ +{{ -50, -549, -439, -549, -359}, +{ -999,-1498,-1388,-1498,-1308}, +{ -499, -998, -888, -998, -808}, +{ -989,-1488,-1378,-1488,-1298}, +{ -789,-1288,-1178,-1288,-1098}}, +/* UG.UG..CG */ +{{ -50, -549, -439, -549, -359}, +{-1079,-1578,-1468,-1578,-1388}, +{ -569,-1068, -958,-1068, -878}, +{ -989,-1488,-1378,-1488,-1298}, +{ -859,-1358,-1248,-1358,-1168}}, +/* UG.UU..CG */ +{{ -50, -549, -439, -549, -359}, +{-1079,-1578,-1468,-1578,-1388}, +{ -719,-1218,-1108,-1218,-1028}, +{ -989,-1488,-1378,-1488,-1298}, +{ -909,-1408,-1298,-1408,-1218}}}}, +/* UG.@@..GC */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@A..GC */ +{{ 0, 0, 0, 0, 0}, +{ -519, -519, -519, -519, -519}, +{ -719, -719, -719, -719, -719}, +{ -709, -709, -709, -709, -709}, +{ -499, -499, -499, -499, -499}}, +/* UG.@C..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -309, -309, -309, -309, -309}, +{ -739, -739, -739, -739, -739}, +{ -499, -499, -499, -499, -499}}, +/* UG.@G..GC */ +{{ 0, 0, 0, 0, 0}, +{ -559, -559, -559, -559, -559}, +{ -309, -309, -309, -309, -309}, +{ -619, -619, -619, -619, -619}, +{ -499, -499, -499, -499, -499}}, +/* UG.@U..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -389, -389, -389, -389, -389}, +{ -739, -739, -739, -739, -739}, +{ -569, -569, -569, -569, -569}}}, +/* UG.A@..GC */ +{{{ -50, -719, -789, -959, -809}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AA..GC */ +{{ -50, -719, -789, -959, -809}, +{ -569,-1238,-1308,-1478,-1328}, +{ -769,-1438,-1508,-1678,-1528}, +{ -759,-1428,-1498,-1668,-1518}, +{ -549,-1218,-1288,-1458,-1308}}, +/* UG.AC..GC */ +{{ -50, -719, -789, -959, -809}, +{ -929,-1598,-1668,-1838,-1688}, +{ -359,-1028,-1098,-1268,-1118}, +{ -789,-1458,-1528,-1698,-1548}, +{ -549,-1218,-1288,-1458,-1308}}, +/* UG.AG..GC */ +{{ -50, -719, -789, -959, -809}, +{ -609,-1278,-1348,-1518,-1368}, +{ -359,-1028,-1098,-1268,-1118}, +{ -669,-1338,-1408,-1578,-1428}, +{ -549,-1218,-1288,-1458,-1308}}, +/* UG.AU..GC */ +{{ -50, -719, -789, -959, -809}, +{ -929,-1598,-1668,-1838,-1688}, +{ -439,-1108,-1178,-1348,-1198}, +{ -789,-1458,-1528,-1698,-1548}, +{ -619,-1288,-1358,-1528,-1378}}}, +/* UG.C@..GC */ +{{{ -50, -479, -479, -359, -479}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CA..GC */ +{{ -50, -479, -479, -359, -479}, +{ -569, -998, -998, -878, -998}, +{ -769,-1198,-1198,-1078,-1198}, +{ -759,-1188,-1188,-1068,-1188}, +{ -549, -978, -978, -858, -978}}, +/* UG.CC..GC */ +{{ -50, -479, -479, -359, -479}, +{ -929,-1358,-1358,-1238,-1358}, +{ -359, -788, -788, -668, -788}, +{ -789,-1218,-1218,-1098,-1218}, +{ -549, -978, -978, -858, -978}}, +/* UG.CG..GC */ +{{ -50, -479, -479, -359, -479}, +{ -609,-1038,-1038, -918,-1038}, +{ -359, -788, -788, -668, -788}, +{ -669,-1098,-1098, -978,-1098}, +{ -549, -978, -978, -858, -978}}, +/* UG.CU..GC */ +{{ -50, -479, -479, -359, -479}, +{ -929,-1358,-1358,-1238,-1358}, +{ -439, -868, -868, -748, -868}, +{ -789,-1218,-1218,-1098,-1218}, +{ -619,-1048,-1048, -928,-1048}}}, +/* UG.G@..GC */ +{{{ -50, -659, -809, -919, -809}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GA..GC */ +{{ -50, -659, -809, -919, -809}, +{ -569,-1178,-1328,-1438,-1328}, +{ -769,-1378,-1528,-1638,-1528}, +{ -759,-1368,-1518,-1628,-1518}, +{ -549,-1158,-1308,-1418,-1308}}, +/* UG.GC..GC */ +{{ -50, -659, -809, -919, -809}, +{ -929,-1538,-1688,-1798,-1688}, +{ -359, -968,-1118,-1228,-1118}, +{ -789,-1398,-1548,-1658,-1548}, +{ -549,-1158,-1308,-1418,-1308}}, +/* UG.GG..GC */ +{{ -50, -659, -809, -919, -809}, +{ -609,-1218,-1368,-1478,-1368}, +{ -359, -968,-1118,-1228,-1118}, +{ -669,-1278,-1428,-1538,-1428}, +{ -549,-1158,-1308,-1418,-1308}}, +/* UG.GU..GC */ +{{ -50, -659, -809, -919, -809}, +{ -929,-1538,-1688,-1798,-1688}, +{ -439,-1048,-1198,-1308,-1198}, +{ -789,-1398,-1548,-1658,-1548}, +{ -619,-1228,-1378,-1488,-1378}}}, +/* UG.U@..GC */ +{{{ -50, -549, -439, -549, -359}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UA..GC */ +{{ -50, -549, -439, -549, -359}, +{ -569,-1068, -958,-1068, -878}, +{ -769,-1268,-1158,-1268,-1078}, +{ -759,-1258,-1148,-1258,-1068}, +{ -549,-1048, -938,-1048, -858}}, +/* UG.UC..GC */ +{{ -50, -549, -439, -549, -359}, +{ -929,-1428,-1318,-1428,-1238}, +{ -359, -858, -748, -858, -668}, +{ -789,-1288,-1178,-1288,-1098}, +{ -549,-1048, -938,-1048, -858}}, +/* UG.UG..GC */ +{{ -50, -549, -439, -549, -359}, +{ -609,-1108, -998,-1108, -918}, +{ -359, -858, -748, -858, -668}, +{ -669,-1168,-1058,-1168, -978}, +{ -549,-1048, -938,-1048, -858}}, +/* UG.UU..GC */ +{{ -50, -549, -439, -549, -359}, +{ -929,-1428,-1318,-1428,-1238}, +{ -439, -938, -828, -938, -748}, +{ -789,-1288,-1178,-1288,-1098}, +{ -619,-1118,-1008,-1118, -928}}}}, +/* UG.@@..GU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@A..GU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* UG.@C..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UG.@G..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UG.@U..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* UG.A@..GU */ +{{{ -50, -719, -789, -959, -809}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AA..GU */ +{{ -50, -719, -789, -959, -809}, +{ -479,-1148,-1218,-1388,-1238}, +{ -309, -978,-1048,-1218,-1068}, +{ -389,-1058,-1128,-1298,-1148}, +{ -379,-1048,-1118,-1288,-1138}}, +/* UG.AC..GU */ +{{ -50, -719, -789, -959, -809}, +{ -649,-1318,-1388,-1558,-1408}, +{ -289, -958,-1028,-1198,-1048}, +{ -739,-1408,-1478,-1648,-1498}, +{ -379,-1048,-1118,-1288,-1138}}, +/* UG.AG..GU */ +{{ -50, -719, -789, -959, -809}, +{ -649,-1318,-1388,-1558,-1408}, +{ -289, -958,-1028,-1198,-1048}, +{ -739,-1408,-1478,-1648,-1498}, +{ -379,-1048,-1118,-1288,-1138}}, +/* UG.AU..GU */ +{{ -50, -719, -789, -959, -809}, +{ -649,-1318,-1388,-1558,-1408}, +{ -289, -958,-1028,-1198,-1048}, +{ -739,-1408,-1478,-1648,-1498}, +{ -379,-1048,-1118,-1288,-1138}}}, +/* UG.C@..GU */ +{{{ -50, -479, -479, -359, -479}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CA..GU */ +{{ -50, -479, -479, -359, -479}, +{ -479, -908, -908, -788, -908}, +{ -309, -738, -738, -618, -738}, +{ -389, -818, -818, -698, -818}, +{ -379, -808, -808, -688, -808}}, +/* UG.CC..GU */ +{{ -50, -479, -479, -359, -479}, +{ -649,-1078,-1078, -958,-1078}, +{ -289, -718, -718, -598, -718}, +{ -739,-1168,-1168,-1048,-1168}, +{ -379, -808, -808, -688, -808}}, +/* UG.CG..GU */ +{{ -50, -479, -479, -359, -479}, +{ -649,-1078,-1078, -958,-1078}, +{ -289, -718, -718, -598, -718}, +{ -739,-1168,-1168,-1048,-1168}, +{ -379, -808, -808, -688, -808}}, +/* UG.CU..GU */ +{{ -50, -479, -479, -359, -479}, +{ -649,-1078,-1078, -958,-1078}, +{ -289, -718, -718, -598, -718}, +{ -739,-1168,-1168,-1048,-1168}, +{ -379, -808, -808, -688, -808}}}, +/* UG.G@..GU */ +{{{ -50, -659, -809, -919, -809}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GA..GU */ +{{ -50, -659, -809, -919, -809}, +{ -479,-1088,-1238,-1348,-1238}, +{ -309, -918,-1068,-1178,-1068}, +{ -389, -998,-1148,-1258,-1148}, +{ -379, -988,-1138,-1248,-1138}}, +/* UG.GC..GU */ +{{ -50, -659, -809, -919, -809}, +{ -649,-1258,-1408,-1518,-1408}, +{ -289, -898,-1048,-1158,-1048}, +{ -739,-1348,-1498,-1608,-1498}, +{ -379, -988,-1138,-1248,-1138}}, +/* UG.GG..GU */ +{{ -50, -659, -809, -919, -809}, +{ -649,-1258,-1408,-1518,-1408}, +{ -289, -898,-1048,-1158,-1048}, +{ -739,-1348,-1498,-1608,-1498}, +{ -379, -988,-1138,-1248,-1138}}, +/* UG.GU..GU */ +{{ -50, -659, -809, -919, -809}, +{ -649,-1258,-1408,-1518,-1408}, +{ -289, -898,-1048,-1158,-1048}, +{ -739,-1348,-1498,-1608,-1498}, +{ -379, -988,-1138,-1248,-1138}}}, +/* UG.U@..GU */ +{{{ -50, -549, -439, -549, -359}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UA..GU */ +{{ -50, -549, -439, -549, -359}, +{ -479, -978, -868, -978, -788}, +{ -309, -808, -698, -808, -618}, +{ -389, -888, -778, -888, -698}, +{ -379, -878, -768, -878, -688}}, +/* UG.UC..GU */ +{{ -50, -549, -439, -549, -359}, +{ -649,-1148,-1038,-1148, -958}, +{ -289, -788, -678, -788, -598}, +{ -739,-1238,-1128,-1238,-1048}, +{ -379, -878, -768, -878, -688}}, +/* UG.UG..GU */ +{{ -50, -549, -439, -549, -359}, +{ -649,-1148,-1038,-1148, -958}, +{ -289, -788, -678, -788, -598}, +{ -739,-1238,-1128,-1238,-1048}, +{ -379, -878, -768, -878, -688}}, +/* UG.UU..GU */ +{{ -50, -549, -439, -549, -359}, +{ -649,-1148,-1038,-1148, -958}, +{ -289, -788, -678, -788, -598}, +{ -739,-1238,-1128,-1238,-1048}, +{ -379, -878, -768, -878, -688}}}}, +/* UG.@@..UG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@A..UG */ +{{ 0, 0, 0, 0, 0}, +{ -719, -719, -719, -719, -719}, +{ -479, -479, -479, -479, -479}, +{ -659, -659, -659, -659, -659}, +{ -549, -549, -549, -549, -549}}, +/* UG.@C..UG */ +{{ 0, 0, 0, 0, 0}, +{ -789, -789, -789, -789, -789}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -439, -439, -439, -439, -439}}, +/* UG.@G..UG */ +{{ 0, 0, 0, 0, 0}, +{ -959, -959, -959, -959, -959}, +{ -359, -359, -359, -359, -359}, +{ -919, -919, -919, -919, -919}, +{ -549, -549, -549, -549, -549}}, +/* UG.@U..UG */ +{{ 0, 0, 0, 0, 0}, +{ -809, -809, -809, -809, -809}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -359, -359, -359, -359, -359}}}, +/* UG.A@..UG */ +{{{ -50, -719, -789, -959, -809}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AA..UG */ +{{ -50, -719, -789, -959, -809}, +{ -769,-1438,-1508,-1678,-1528}, +{ -529,-1198,-1268,-1438,-1288}, +{ -709,-1378,-1448,-1618,-1468}, +{ -599,-1268,-1338,-1508,-1358}}, +/* UG.AC..UG */ +{{ -50, -719, -789, -959, -809}, +{ -839,-1508,-1578,-1748,-1598}, +{ -529,-1198,-1268,-1438,-1288}, +{ -859,-1528,-1598,-1768,-1618}, +{ -489,-1158,-1228,-1398,-1248}}, +/* UG.AG..UG */ +{{ -50, -719, -789, -959, -809}, +{-1009,-1678,-1748,-1918,-1768}, +{ -409,-1078,-1148,-1318,-1168}, +{ -969,-1638,-1708,-1878,-1728}, +{ -599,-1268,-1338,-1508,-1358}}, +/* UG.AU..UG */ +{{ -50, -719, -789, -959, -809}, +{ -859,-1528,-1598,-1768,-1618}, +{ -529,-1198,-1268,-1438,-1288}, +{ -859,-1528,-1598,-1768,-1618}, +{ -409,-1078,-1148,-1318,-1168}}}, +/* UG.C@..UG */ +{{{ -50, -479, -479, -359, -479}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CA..UG */ +{{ -50, -479, -479, -359, -479}, +{ -769,-1198,-1198,-1078,-1198}, +{ -529, -958, -958, -838, -958}, +{ -709,-1138,-1138,-1018,-1138}, +{ -599,-1028,-1028, -908,-1028}}, +/* UG.CC..UG */ +{{ -50, -479, -479, -359, -479}, +{ -839,-1268,-1268,-1148,-1268}, +{ -529, -958, -958, -838, -958}, +{ -859,-1288,-1288,-1168,-1288}, +{ -489, -918, -918, -798, -918}}, +/* UG.CG..UG */ +{{ -50, -479, -479, -359, -479}, +{-1009,-1438,-1438,-1318,-1438}, +{ -409, -838, -838, -718, -838}, +{ -969,-1398,-1398,-1278,-1398}, +{ -599,-1028,-1028, -908,-1028}}, +/* UG.CU..UG */ +{{ -50, -479, -479, -359, -479}, +{ -859,-1288,-1288,-1168,-1288}, +{ -529, -958, -958, -838, -958}, +{ -859,-1288,-1288,-1168,-1288}, +{ -409, -838, -838, -718, -838}}}, +/* UG.G@..UG */ +{{{ -50, -659, -809, -919, -809}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GA..UG */ +{{ -50, -659, -809, -919, -809}, +{ -769,-1378,-1528,-1638,-1528}, +{ -529,-1138,-1288,-1398,-1288}, +{ -709,-1318,-1468,-1578,-1468}, +{ -599,-1208,-1358,-1468,-1358}}, +/* UG.GC..UG */ +{{ -50, -659, -809, -919, -809}, +{ -839,-1448,-1598,-1708,-1598}, +{ -529,-1138,-1288,-1398,-1288}, +{ -859,-1468,-1618,-1728,-1618}, +{ -489,-1098,-1248,-1358,-1248}}, +/* UG.GG..UG */ +{{ -50, -659, -809, -919, -809}, +{-1009,-1618,-1768,-1878,-1768}, +{ -409,-1018,-1168,-1278,-1168}, +{ -969,-1578,-1728,-1838,-1728}, +{ -599,-1208,-1358,-1468,-1358}}, +/* UG.GU..UG */ +{{ -50, -659, -809, -919, -809}, +{ -859,-1468,-1618,-1728,-1618}, +{ -529,-1138,-1288,-1398,-1288}, +{ -859,-1468,-1618,-1728,-1618}, +{ -409,-1018,-1168,-1278,-1168}}}, +/* UG.U@..UG */ +{{{ -50, -549, -439, -549, -359}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UA..UG */ +{{ -50, -549, -439, -549, -359}, +{ -769,-1268,-1158,-1268,-1078}, +{ -529,-1028, -918,-1028, -838}, +{ -709,-1208,-1098,-1208,-1018}, +{ -599,-1098, -988,-1098, -908}}, +/* UG.UC..UG */ +{{ -50, -549, -439, -549, -359}, +{ -839,-1338,-1228,-1338,-1148}, +{ -529,-1028, -918,-1028, -838}, +{ -859,-1358,-1248,-1358,-1168}, +{ -489, -988, -878, -988, -798}}, +/* UG.UG..UG */ +{{ -50, -549, -439, -549, -359}, +{-1009,-1508,-1398,-1508,-1318}, +{ -409, -908, -798, -908, -718}, +{ -969,-1468,-1358,-1468,-1278}, +{ -599,-1098, -988,-1098, -908}}, +/* UG.UU..UG */ +{{ -50, -549, -439, -549, -359}, +{ -859,-1358,-1248,-1358,-1168}, +{ -529,-1028, -918,-1028, -838}, +{ -859,-1358,-1248,-1358,-1168}, +{ -409, -908, -798, -908, -718}}}}, +/* UG.@@..AU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@A..AU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* UG.@C..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UG.@G..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UG.@U..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* UG.A@..AU */ +{{{ -50, -719, -789, -959, -809}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AA..AU */ +{{ -50, -719, -789, -959, -809}, +{ -479,-1148,-1218,-1388,-1238}, +{ -309, -978,-1048,-1218,-1068}, +{ -389,-1058,-1128,-1298,-1148}, +{ -379,-1048,-1118,-1288,-1138}}, +/* UG.AC..AU */ +{{ -50, -719, -789, -959, -809}, +{ -649,-1318,-1388,-1558,-1408}, +{ -289, -958,-1028,-1198,-1048}, +{ -739,-1408,-1478,-1648,-1498}, +{ -379,-1048,-1118,-1288,-1138}}, +/* UG.AG..AU */ +{{ -50, -719, -789, -959, -809}, +{ -649,-1318,-1388,-1558,-1408}, +{ -289, -958,-1028,-1198,-1048}, +{ -739,-1408,-1478,-1648,-1498}, +{ -379,-1048,-1118,-1288,-1138}}, +/* UG.AU..AU */ +{{ -50, -719, -789, -959, -809}, +{ -649,-1318,-1388,-1558,-1408}, +{ -289, -958,-1028,-1198,-1048}, +{ -739,-1408,-1478,-1648,-1498}, +{ -379,-1048,-1118,-1288,-1138}}}, +/* UG.C@..AU */ +{{{ -50, -479, -479, -359, -479}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CA..AU */ +{{ -50, -479, -479, -359, -479}, +{ -479, -908, -908, -788, -908}, +{ -309, -738, -738, -618, -738}, +{ -389, -818, -818, -698, -818}, +{ -379, -808, -808, -688, -808}}, +/* UG.CC..AU */ +{{ -50, -479, -479, -359, -479}, +{ -649,-1078,-1078, -958,-1078}, +{ -289, -718, -718, -598, -718}, +{ -739,-1168,-1168,-1048,-1168}, +{ -379, -808, -808, -688, -808}}, +/* UG.CG..AU */ +{{ -50, -479, -479, -359, -479}, +{ -649,-1078,-1078, -958,-1078}, +{ -289, -718, -718, -598, -718}, +{ -739,-1168,-1168,-1048,-1168}, +{ -379, -808, -808, -688, -808}}, +/* UG.CU..AU */ +{{ -50, -479, -479, -359, -479}, +{ -649,-1078,-1078, -958,-1078}, +{ -289, -718, -718, -598, -718}, +{ -739,-1168,-1168,-1048,-1168}, +{ -379, -808, -808, -688, -808}}}, +/* UG.G@..AU */ +{{{ -50, -659, -809, -919, -809}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GA..AU */ +{{ -50, -659, -809, -919, -809}, +{ -479,-1088,-1238,-1348,-1238}, +{ -309, -918,-1068,-1178,-1068}, +{ -389, -998,-1148,-1258,-1148}, +{ -379, -988,-1138,-1248,-1138}}, +/* UG.GC..AU */ +{{ -50, -659, -809, -919, -809}, +{ -649,-1258,-1408,-1518,-1408}, +{ -289, -898,-1048,-1158,-1048}, +{ -739,-1348,-1498,-1608,-1498}, +{ -379, -988,-1138,-1248,-1138}}, +/* UG.GG..AU */ +{{ -50, -659, -809, -919, -809}, +{ -649,-1258,-1408,-1518,-1408}, +{ -289, -898,-1048,-1158,-1048}, +{ -739,-1348,-1498,-1608,-1498}, +{ -379, -988,-1138,-1248,-1138}}, +/* UG.GU..AU */ +{{ -50, -659, -809, -919, -809}, +{ -649,-1258,-1408,-1518,-1408}, +{ -289, -898,-1048,-1158,-1048}, +{ -739,-1348,-1498,-1608,-1498}, +{ -379, -988,-1138,-1248,-1138}}}, +/* UG.U@..AU */ +{{{ -50, -549, -439, -549, -359}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UA..AU */ +{{ -50, -549, -439, -549, -359}, +{ -479, -978, -868, -978, -788}, +{ -309, -808, -698, -808, -618}, +{ -389, -888, -778, -888, -698}, +{ -379, -878, -768, -878, -688}}, +/* UG.UC..AU */ +{{ -50, -549, -439, -549, -359}, +{ -649,-1148,-1038,-1148, -958}, +{ -289, -788, -678, -788, -598}, +{ -739,-1238,-1128,-1238,-1048}, +{ -379, -878, -768, -878, -688}}, +/* UG.UG..AU */ +{{ -50, -549, -439, -549, -359}, +{ -649,-1148,-1038,-1148, -958}, +{ -289, -788, -678, -788, -598}, +{ -739,-1238,-1128,-1238,-1048}, +{ -379, -878, -768, -878, -688}}, +/* UG.UU..AU */ +{{ -50, -549, -439, -549, -359}, +{ -649,-1148,-1038,-1148, -958}, +{ -289, -788, -678, -788, -598}, +{ -739,-1238,-1128,-1238,-1048}, +{ -379, -878, -768, -878, -688}}}}, +/* UG.@@..UA */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@A..UA */ +{{ 0, 0, 0, 0, 0}, +{ -399, -399, -399, -399, -399}, +{ -429, -429, -429, -429, -429}, +{ -379, -379, -379, -379, -379}, +{ -279, -279, -279, -279, -279}}, +/* UG.@C..UA */ +{{ 0, 0, 0, 0, 0}, +{ -629, -629, -629, -629, -629}, +{ -509, -509, -509, -509, -509}, +{ -679, -679, -679, -679, -679}, +{ -139, -139, -139, -139, -139}}, +/* UG.@G..UA */ +{{ 0, 0, 0, 0, 0}, +{ -889, -889, -889, -889, -889}, +{ -199, -199, -199, -199, -199}, +{ -889, -889, -889, -889, -889}, +{ -279, -279, -279, -279, -279}}, +/* UG.@U..UA */ +{{ 0, 0, 0, 0, 0}, +{ -589, -589, -589, -589, -589}, +{ -179, -179, -179, -179, -179}, +{ -679, -679, -679, -679, -679}, +{ -140, -140, -140, -140, -140}}}, +/* UG.A@..UA */ +{{{ -50, -719, -789, -959, -809}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AA..UA */ +{{ -50, -719, -789, -959, -809}, +{ -449,-1118,-1188,-1358,-1208}, +{ -479,-1148,-1218,-1388,-1238}, +{ -429,-1098,-1168,-1338,-1188}, +{ -329, -998,-1068,-1238,-1088}}, +/* UG.AC..UA */ +{{ -50, -719, -789, -959, -809}, +{ -679,-1348,-1418,-1588,-1438}, +{ -559,-1228,-1298,-1468,-1318}, +{ -729,-1398,-1468,-1638,-1488}, +{ -189, -858, -928,-1098, -948}}, +/* UG.AG..UA */ +{{ -50, -719, -789, -959, -809}, +{ -939,-1608,-1678,-1848,-1698}, +{ -249, -918, -988,-1158,-1008}, +{ -939,-1608,-1678,-1848,-1698}, +{ -329, -998,-1068,-1238,-1088}}, +/* UG.AU..UA */ +{{ -50, -719, -789, -959, -809}, +{ -639,-1308,-1378,-1548,-1398}, +{ -229, -898, -968,-1138, -988}, +{ -729,-1398,-1468,-1638,-1488}, +{ -190, -859, -929,-1099, -949}}}, +/* UG.C@..UA */ +{{{ -50, -479, -479, -359, -479}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CA..UA */ +{{ -50, -479, -479, -359, -479}, +{ -449, -878, -878, -758, -878}, +{ -479, -908, -908, -788, -908}, +{ -429, -858, -858, -738, -858}, +{ -329, -758, -758, -638, -758}}, +/* UG.CC..UA */ +{{ -50, -479, -479, -359, -479}, +{ -679,-1108,-1108, -988,-1108}, +{ -559, -988, -988, -868, -988}, +{ -729,-1158,-1158,-1038,-1158}, +{ -189, -618, -618, -498, -618}}, +/* UG.CG..UA */ +{{ -50, -479, -479, -359, -479}, +{ -939,-1368,-1368,-1248,-1368}, +{ -249, -678, -678, -558, -678}, +{ -939,-1368,-1368,-1248,-1368}, +{ -329, -758, -758, -638, -758}}, +/* UG.CU..UA */ +{{ -50, -479, -479, -359, -479}, +{ -639,-1068,-1068, -948,-1068}, +{ -229, -658, -658, -538, -658}, +{ -729,-1158,-1158,-1038,-1158}, +{ -190, -619, -619, -499, -619}}}, +/* UG.G@..UA */ +{{{ -50, -659, -809, -919, -809}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GA..UA */ +{{ -50, -659, -809, -919, -809}, +{ -449,-1058,-1208,-1318,-1208}, +{ -479,-1088,-1238,-1348,-1238}, +{ -429,-1038,-1188,-1298,-1188}, +{ -329, -938,-1088,-1198,-1088}}, +/* UG.GC..UA */ +{{ -50, -659, -809, -919, -809}, +{ -679,-1288,-1438,-1548,-1438}, +{ -559,-1168,-1318,-1428,-1318}, +{ -729,-1338,-1488,-1598,-1488}, +{ -189, -798, -948,-1058, -948}}, +/* UG.GG..UA */ +{{ -50, -659, -809, -919, -809}, +{ -939,-1548,-1698,-1808,-1698}, +{ -249, -858,-1008,-1118,-1008}, +{ -939,-1548,-1698,-1808,-1698}, +{ -329, -938,-1088,-1198,-1088}}, +/* UG.GU..UA */ +{{ -50, -659, -809, -919, -809}, +{ -639,-1248,-1398,-1508,-1398}, +{ -229, -838, -988,-1098, -988}, +{ -729,-1338,-1488,-1598,-1488}, +{ -190, -799, -949,-1059, -949}}}, +/* UG.U@..UA */ +{{{ -50, -549, -439, -549, -359}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UA..UA */ +{{ -50, -549, -439, -549, -359}, +{ -449, -948, -838, -948, -758}, +{ -479, -978, -868, -978, -788}, +{ -429, -928, -818, -928, -738}, +{ -329, -828, -718, -828, -638}}, +/* UG.UC..UA */ +{{ -50, -549, -439, -549, -359}, +{ -679,-1178,-1068,-1178, -988}, +{ -559,-1058, -948,-1058, -868}, +{ -729,-1228,-1118,-1228,-1038}, +{ -189, -688, -578, -688, -498}}, +/* UG.UG..UA */ +{{ -50, -549, -439, -549, -359}, +{ -939,-1438,-1328,-1438,-1248}, +{ -249, -748, -638, -748, -558}, +{ -939,-1438,-1328,-1438,-1248}, +{ -329, -828, -718, -828, -638}}, +/* UG.UU..UA */ +{{ -50, -549, -439, -549, -359}, +{ -639,-1138,-1028,-1138, -948}, +{ -229, -728, -618, -728, -538}, +{ -729,-1228,-1118,-1228,-1038}, +{ -190, -689, -579, -689, -499}}}}, +/* UG.@@.. @ */ +{{{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@A.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@C.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@G.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UG.@U.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}}, +/* UG.A@.. @ */ +{{{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AA.. @ */ +{{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AC.. @ */ +{{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AG.. @ */ +{{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}, +/* UG.AU.. @ */ +{{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}, +{ -100, -769, -839,-1009, -859}}}, +/* UG.C@.. @ */ +{{{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CA.. @ */ +{{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CC.. @ */ +{{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CG.. @ */ +{{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}, +/* UG.CU.. @ */ +{{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}, +{ -100, -529, -529, -409, -529}}}, +/* UG.G@.. @ */ +{{{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GA.. @ */ +{{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GC.. @ */ +{{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GG.. @ */ +{{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}, +/* UG.GU.. @ */ +{{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}, +{ -100, -709, -859, -969, -859}}}, +/* UG.U@.. @ */ +{{{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UA.. @ */ +{{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UC.. @ */ +{{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UG.. @ */ +{{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}, +/* UG.UU.. @ */ +{{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}, +{ -100, -599, -489, -599, -409}}}}}, +{ /* noPair */ {{{{0}}}}, +/* AU.@@..CG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@A..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* AU.@C..CG */ +{{ 0, 0, 0, 0, 0}, +{ -949, -949, -949, -949, -949}, +{ -449, -449, -449, -449, -449}, +{ -939, -939, -939, -939, -939}, +{ -739, -739, -739, -739, -739}}, +/* AU.@G..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* AU.@U..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -669, -669, -669, -669, -669}, +{ -939, -939, -939, -939, -939}, +{ -859, -859, -859, -859, -859}}}, +/* AU.A@..CG */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AA..CG */ +{{ -50, -429, -599, -599, -599}, +{-1079,-1458,-1628,-1628,-1628}, +{ -569, -948,-1118,-1118,-1118}, +{ -989,-1368,-1538,-1538,-1538}, +{ -859,-1238,-1408,-1408,-1408}}, +/* AU.AC..CG */ +{{ -50, -429, -599, -599, -599}, +{ -999,-1378,-1548,-1548,-1548}, +{ -499, -878,-1048,-1048,-1048}, +{ -989,-1368,-1538,-1538,-1538}, +{ -789,-1168,-1338,-1338,-1338}}, +/* AU.AG..CG */ +{{ -50, -429, -599, -599, -599}, +{-1079,-1458,-1628,-1628,-1628}, +{ -569, -948,-1118,-1118,-1118}, +{ -989,-1368,-1538,-1538,-1538}, +{ -859,-1238,-1408,-1408,-1408}}, +/* AU.AU..CG */ +{{ -50, -429, -599, -599, -599}, +{-1079,-1458,-1628,-1628,-1628}, +{ -719,-1098,-1268,-1268,-1268}, +{ -989,-1368,-1538,-1538,-1538}, +{ -909,-1288,-1458,-1458,-1458}}}, +/* AU.C@..CG */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CA..CG */ +{{ -50, -259, -239, -239, -239}, +{-1079,-1288,-1268,-1268,-1268}, +{ -569, -778, -758, -758, -758}, +{ -989,-1198,-1178,-1178,-1178}, +{ -859,-1068,-1048,-1048,-1048}}, +/* AU.CC..CG */ +{{ -50, -259, -239, -239, -239}, +{ -999,-1208,-1188,-1188,-1188}, +{ -499, -708, -688, -688, -688}, +{ -989,-1198,-1178,-1178,-1178}, +{ -789, -998, -978, -978, -978}}, +/* AU.CG..CG */ +{{ -50, -259, -239, -239, -239}, +{-1079,-1288,-1268,-1268,-1268}, +{ -569, -778, -758, -758, -758}, +{ -989,-1198,-1178,-1178,-1178}, +{ -859,-1068,-1048,-1048,-1048}}, +/* AU.CU..CG */ +{{ -50, -259, -239, -239, -239}, +{-1079,-1288,-1268,-1268,-1268}, +{ -719, -928, -908, -908, -908}, +{ -989,-1198,-1178,-1178,-1178}, +{ -909,-1118,-1098,-1098,-1098}}}, +/* AU.G@..CG */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GA..CG */ +{{ -50, -339, -689, -689, -689}, +{-1079,-1368,-1718,-1718,-1718}, +{ -569, -858,-1208,-1208,-1208}, +{ -989,-1278,-1628,-1628,-1628}, +{ -859,-1148,-1498,-1498,-1498}}, +/* AU.GC..CG */ +{{ -50, -339, -689, -689, -689}, +{ -999,-1288,-1638,-1638,-1638}, +{ -499, -788,-1138,-1138,-1138}, +{ -989,-1278,-1628,-1628,-1628}, +{ -789,-1078,-1428,-1428,-1428}}, +/* AU.GG..CG */ +{{ -50, -339, -689, -689, -689}, +{-1079,-1368,-1718,-1718,-1718}, +{ -569, -858,-1208,-1208,-1208}, +{ -989,-1278,-1628,-1628,-1628}, +{ -859,-1148,-1498,-1498,-1498}}, +/* AU.GU..CG */ +{{ -50, -339, -689, -689, -689}, +{-1079,-1368,-1718,-1718,-1718}, +{ -719,-1008,-1358,-1358,-1358}, +{ -989,-1278,-1628,-1628,-1628}, +{ -909,-1198,-1548,-1548,-1548}}}, +/* AU.U@..CG */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UA..CG */ +{{ -50, -329, -329, -329, -329}, +{-1079,-1358,-1358,-1358,-1358}, +{ -569, -848, -848, -848, -848}, +{ -989,-1268,-1268,-1268,-1268}, +{ -859,-1138,-1138,-1138,-1138}}, +/* AU.UC..CG */ +{{ -50, -329, -329, -329, -329}, +{ -999,-1278,-1278,-1278,-1278}, +{ -499, -778, -778, -778, -778}, +{ -989,-1268,-1268,-1268,-1268}, +{ -789,-1068,-1068,-1068,-1068}}, +/* AU.UG..CG */ +{{ -50, -329, -329, -329, -329}, +{-1079,-1358,-1358,-1358,-1358}, +{ -569, -848, -848, -848, -848}, +{ -989,-1268,-1268,-1268,-1268}, +{ -859,-1138,-1138,-1138,-1138}}, +/* AU.UU..CG */ +{{ -50, -329, -329, -329, -329}, +{-1079,-1358,-1358,-1358,-1358}, +{ -719, -998, -998, -998, -998}, +{ -989,-1268,-1268,-1268,-1268}, +{ -909,-1188,-1188,-1188,-1188}}}}, +/* AU.@@..GC */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@A..GC */ +{{ 0, 0, 0, 0, 0}, +{ -519, -519, -519, -519, -519}, +{ -719, -719, -719, -719, -719}, +{ -709, -709, -709, -709, -709}, +{ -499, -499, -499, -499, -499}}, +/* AU.@C..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -309, -309, -309, -309, -309}, +{ -739, -739, -739, -739, -739}, +{ -499, -499, -499, -499, -499}}, +/* AU.@G..GC */ +{{ 0, 0, 0, 0, 0}, +{ -559, -559, -559, -559, -559}, +{ -309, -309, -309, -309, -309}, +{ -619, -619, -619, -619, -619}, +{ -499, -499, -499, -499, -499}}, +/* AU.@U..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -389, -389, -389, -389, -389}, +{ -739, -739, -739, -739, -739}, +{ -569, -569, -569, -569, -569}}}, +/* AU.A@..GC */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AA..GC */ +{{ -50, -429, -599, -599, -599}, +{ -569, -948,-1118,-1118,-1118}, +{ -769,-1148,-1318,-1318,-1318}, +{ -759,-1138,-1308,-1308,-1308}, +{ -549, -928,-1098,-1098,-1098}}, +/* AU.AC..GC */ +{{ -50, -429, -599, -599, -599}, +{ -929,-1308,-1478,-1478,-1478}, +{ -359, -738, -908, -908, -908}, +{ -789,-1168,-1338,-1338,-1338}, +{ -549, -928,-1098,-1098,-1098}}, +/* AU.AG..GC */ +{{ -50, -429, -599, -599, -599}, +{ -609, -988,-1158,-1158,-1158}, +{ -359, -738, -908, -908, -908}, +{ -669,-1048,-1218,-1218,-1218}, +{ -549, -928,-1098,-1098,-1098}}, +/* AU.AU..GC */ +{{ -50, -429, -599, -599, -599}, +{ -929,-1308,-1478,-1478,-1478}, +{ -439, -818, -988, -988, -988}, +{ -789,-1168,-1338,-1338,-1338}, +{ -619, -998,-1168,-1168,-1168}}}, +/* AU.C@..GC */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CA..GC */ +{{ -50, -259, -239, -239, -239}, +{ -569, -778, -758, -758, -758}, +{ -769, -978, -958, -958, -958}, +{ -759, -968, -948, -948, -948}, +{ -549, -758, -738, -738, -738}}, +/* AU.CC..GC */ +{{ -50, -259, -239, -239, -239}, +{ -929,-1138,-1118,-1118,-1118}, +{ -359, -568, -548, -548, -548}, +{ -789, -998, -978, -978, -978}, +{ -549, -758, -738, -738, -738}}, +/* AU.CG..GC */ +{{ -50, -259, -239, -239, -239}, +{ -609, -818, -798, -798, -798}, +{ -359, -568, -548, -548, -548}, +{ -669, -878, -858, -858, -858}, +{ -549, -758, -738, -738, -738}}, +/* AU.CU..GC */ +{{ -50, -259, -239, -239, -239}, +{ -929,-1138,-1118,-1118,-1118}, +{ -439, -648, -628, -628, -628}, +{ -789, -998, -978, -978, -978}, +{ -619, -828, -808, -808, -808}}}, +/* AU.G@..GC */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GA..GC */ +{{ -50, -339, -689, -689, -689}, +{ -569, -858,-1208,-1208,-1208}, +{ -769,-1058,-1408,-1408,-1408}, +{ -759,-1048,-1398,-1398,-1398}, +{ -549, -838,-1188,-1188,-1188}}, +/* AU.GC..GC */ +{{ -50, -339, -689, -689, -689}, +{ -929,-1218,-1568,-1568,-1568}, +{ -359, -648, -998, -998, -998}, +{ -789,-1078,-1428,-1428,-1428}, +{ -549, -838,-1188,-1188,-1188}}, +/* AU.GG..GC */ +{{ -50, -339, -689, -689, -689}, +{ -609, -898,-1248,-1248,-1248}, +{ -359, -648, -998, -998, -998}, +{ -669, -958,-1308,-1308,-1308}, +{ -549, -838,-1188,-1188,-1188}}, +/* AU.GU..GC */ +{{ -50, -339, -689, -689, -689}, +{ -929,-1218,-1568,-1568,-1568}, +{ -439, -728,-1078,-1078,-1078}, +{ -789,-1078,-1428,-1428,-1428}, +{ -619, -908,-1258,-1258,-1258}}}, +/* AU.U@..GC */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UA..GC */ +{{ -50, -329, -329, -329, -329}, +{ -569, -848, -848, -848, -848}, +{ -769,-1048,-1048,-1048,-1048}, +{ -759,-1038,-1038,-1038,-1038}, +{ -549, -828, -828, -828, -828}}, +/* AU.UC..GC */ +{{ -50, -329, -329, -329, -329}, +{ -929,-1208,-1208,-1208,-1208}, +{ -359, -638, -638, -638, -638}, +{ -789,-1068,-1068,-1068,-1068}, +{ -549, -828, -828, -828, -828}}, +/* AU.UG..GC */ +{{ -50, -329, -329, -329, -329}, +{ -609, -888, -888, -888, -888}, +{ -359, -638, -638, -638, -638}, +{ -669, -948, -948, -948, -948}, +{ -549, -828, -828, -828, -828}}, +/* AU.UU..GC */ +{{ -50, -329, -329, -329, -329}, +{ -929,-1208,-1208,-1208,-1208}, +{ -439, -718, -718, -718, -718}, +{ -789,-1068,-1068,-1068,-1068}, +{ -619, -898, -898, -898, -898}}}}, +/* AU.@@..GU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@A..GU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* AU.@C..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* AU.@G..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* AU.@U..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* AU.A@..GU */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AA..GU */ +{{ -50, -429, -599, -599, -599}, +{ -479, -858,-1028,-1028,-1028}, +{ -309, -688, -858, -858, -858}, +{ -389, -768, -938, -938, -938}, +{ -379, -758, -928, -928, -928}}, +/* AU.AC..GU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* AU.AG..GU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* AU.AU..GU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}}, +/* AU.C@..GU */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CA..GU */ +{{ -50, -259, -239, -239, -239}, +{ -479, -688, -668, -668, -668}, +{ -309, -518, -498, -498, -498}, +{ -389, -598, -578, -578, -578}, +{ -379, -588, -568, -568, -568}}, +/* AU.CC..GU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* AU.CG..GU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* AU.CU..GU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}}, +/* AU.G@..GU */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GA..GU */ +{{ -50, -339, -689, -689, -689}, +{ -479, -768,-1118,-1118,-1118}, +{ -309, -598, -948, -948, -948}, +{ -389, -678,-1028,-1028,-1028}, +{ -379, -668,-1018,-1018,-1018}}, +/* AU.GC..GU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* AU.GG..GU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* AU.GU..GU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}}, +/* AU.U@..GU */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UA..GU */ +{{ -50, -329, -329, -329, -329}, +{ -479, -758, -758, -758, -758}, +{ -309, -588, -588, -588, -588}, +{ -389, -668, -668, -668, -668}, +{ -379, -658, -658, -658, -658}}, +/* AU.UC..GU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* AU.UG..GU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* AU.UU..GU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}}}, +/* AU.@@..UG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@A..UG */ +{{ 0, 0, 0, 0, 0}, +{ -719, -719, -719, -719, -719}, +{ -479, -479, -479, -479, -479}, +{ -659, -659, -659, -659, -659}, +{ -549, -549, -549, -549, -549}}, +/* AU.@C..UG */ +{{ 0, 0, 0, 0, 0}, +{ -789, -789, -789, -789, -789}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -439, -439, -439, -439, -439}}, +/* AU.@G..UG */ +{{ 0, 0, 0, 0, 0}, +{ -959, -959, -959, -959, -959}, +{ -359, -359, -359, -359, -359}, +{ -919, -919, -919, -919, -919}, +{ -549, -549, -549, -549, -549}}, +/* AU.@U..UG */ +{{ 0, 0, 0, 0, 0}, +{ -809, -809, -809, -809, -809}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -359, -359, -359, -359, -359}}}, +/* AU.A@..UG */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AA..UG */ +{{ -50, -429, -599, -599, -599}, +{ -769,-1148,-1318,-1318,-1318}, +{ -529, -908,-1078,-1078,-1078}, +{ -709,-1088,-1258,-1258,-1258}, +{ -599, -978,-1148,-1148,-1148}}, +/* AU.AC..UG */ +{{ -50, -429, -599, -599, -599}, +{ -839,-1218,-1388,-1388,-1388}, +{ -529, -908,-1078,-1078,-1078}, +{ -859,-1238,-1408,-1408,-1408}, +{ -489, -868,-1038,-1038,-1038}}, +/* AU.AG..UG */ +{{ -50, -429, -599, -599, -599}, +{-1009,-1388,-1558,-1558,-1558}, +{ -409, -788, -958, -958, -958}, +{ -969,-1348,-1518,-1518,-1518}, +{ -599, -978,-1148,-1148,-1148}}, +/* AU.AU..UG */ +{{ -50, -429, -599, -599, -599}, +{ -859,-1238,-1408,-1408,-1408}, +{ -529, -908,-1078,-1078,-1078}, +{ -859,-1238,-1408,-1408,-1408}, +{ -409, -788, -958, -958, -958}}}, +/* AU.C@..UG */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CA..UG */ +{{ -50, -259, -239, -239, -239}, +{ -769, -978, -958, -958, -958}, +{ -529, -738, -718, -718, -718}, +{ -709, -918, -898, -898, -898}, +{ -599, -808, -788, -788, -788}}, +/* AU.CC..UG */ +{{ -50, -259, -239, -239, -239}, +{ -839,-1048,-1028,-1028,-1028}, +{ -529, -738, -718, -718, -718}, +{ -859,-1068,-1048,-1048,-1048}, +{ -489, -698, -678, -678, -678}}, +/* AU.CG..UG */ +{{ -50, -259, -239, -239, -239}, +{-1009,-1218,-1198,-1198,-1198}, +{ -409, -618, -598, -598, -598}, +{ -969,-1178,-1158,-1158,-1158}, +{ -599, -808, -788, -788, -788}}, +/* AU.CU..UG */ +{{ -50, -259, -239, -239, -239}, +{ -859,-1068,-1048,-1048,-1048}, +{ -529, -738, -718, -718, -718}, +{ -859,-1068,-1048,-1048,-1048}, +{ -409, -618, -598, -598, -598}}}, +/* AU.G@..UG */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GA..UG */ +{{ -50, -339, -689, -689, -689}, +{ -769,-1058,-1408,-1408,-1408}, +{ -529, -818,-1168,-1168,-1168}, +{ -709, -998,-1348,-1348,-1348}, +{ -599, -888,-1238,-1238,-1238}}, +/* AU.GC..UG */ +{{ -50, -339, -689, -689, -689}, +{ -839,-1128,-1478,-1478,-1478}, +{ -529, -818,-1168,-1168,-1168}, +{ -859,-1148,-1498,-1498,-1498}, +{ -489, -778,-1128,-1128,-1128}}, +/* AU.GG..UG */ +{{ -50, -339, -689, -689, -689}, +{-1009,-1298,-1648,-1648,-1648}, +{ -409, -698,-1048,-1048,-1048}, +{ -969,-1258,-1608,-1608,-1608}, +{ -599, -888,-1238,-1238,-1238}}, +/* AU.GU..UG */ +{{ -50, -339, -689, -689, -689}, +{ -859,-1148,-1498,-1498,-1498}, +{ -529, -818,-1168,-1168,-1168}, +{ -859,-1148,-1498,-1498,-1498}, +{ -409, -698,-1048,-1048,-1048}}}, +/* AU.U@..UG */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UA..UG */ +{{ -50, -329, -329, -329, -329}, +{ -769,-1048,-1048,-1048,-1048}, +{ -529, -808, -808, -808, -808}, +{ -709, -988, -988, -988, -988}, +{ -599, -878, -878, -878, -878}}, +/* AU.UC..UG */ +{{ -50, -329, -329, -329, -329}, +{ -839,-1118,-1118,-1118,-1118}, +{ -529, -808, -808, -808, -808}, +{ -859,-1138,-1138,-1138,-1138}, +{ -489, -768, -768, -768, -768}}, +/* AU.UG..UG */ +{{ -50, -329, -329, -329, -329}, +{-1009,-1288,-1288,-1288,-1288}, +{ -409, -688, -688, -688, -688}, +{ -969,-1248,-1248,-1248,-1248}, +{ -599, -878, -878, -878, -878}}, +/* AU.UU..UG */ +{{ -50, -329, -329, -329, -329}, +{ -859,-1138,-1138,-1138,-1138}, +{ -529, -808, -808, -808, -808}, +{ -859,-1138,-1138,-1138,-1138}, +{ -409, -688, -688, -688, -688}}}}, +/* AU.@@..AU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@A..AU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* AU.@C..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* AU.@G..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* AU.@U..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* AU.A@..AU */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AA..AU */ +{{ -50, -429, -599, -599, -599}, +{ -479, -858,-1028,-1028,-1028}, +{ -309, -688, -858, -858, -858}, +{ -389, -768, -938, -938, -938}, +{ -379, -758, -928, -928, -928}}, +/* AU.AC..AU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* AU.AG..AU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}, +/* AU.AU..AU */ +{{ -50, -429, -599, -599, -599}, +{ -649,-1028,-1198,-1198,-1198}, +{ -289, -668, -838, -838, -838}, +{ -739,-1118,-1288,-1288,-1288}, +{ -379, -758, -928, -928, -928}}}, +/* AU.C@..AU */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CA..AU */ +{{ -50, -259, -239, -239, -239}, +{ -479, -688, -668, -668, -668}, +{ -309, -518, -498, -498, -498}, +{ -389, -598, -578, -578, -578}, +{ -379, -588, -568, -568, -568}}, +/* AU.CC..AU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* AU.CG..AU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}, +/* AU.CU..AU */ +{{ -50, -259, -239, -239, -239}, +{ -649, -858, -838, -838, -838}, +{ -289, -498, -478, -478, -478}, +{ -739, -948, -928, -928, -928}, +{ -379, -588, -568, -568, -568}}}, +/* AU.G@..AU */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GA..AU */ +{{ -50, -339, -689, -689, -689}, +{ -479, -768,-1118,-1118,-1118}, +{ -309, -598, -948, -948, -948}, +{ -389, -678,-1028,-1028,-1028}, +{ -379, -668,-1018,-1018,-1018}}, +/* AU.GC..AU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* AU.GG..AU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}, +/* AU.GU..AU */ +{{ -50, -339, -689, -689, -689}, +{ -649, -938,-1288,-1288,-1288}, +{ -289, -578, -928, -928, -928}, +{ -739,-1028,-1378,-1378,-1378}, +{ -379, -668,-1018,-1018,-1018}}}, +/* AU.U@..AU */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UA..AU */ +{{ -50, -329, -329, -329, -329}, +{ -479, -758, -758, -758, -758}, +{ -309, -588, -588, -588, -588}, +{ -389, -668, -668, -668, -668}, +{ -379, -658, -658, -658, -658}}, +/* AU.UC..AU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* AU.UG..AU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}, +/* AU.UU..AU */ +{{ -50, -329, -329, -329, -329}, +{ -649, -928, -928, -928, -928}, +{ -289, -568, -568, -568, -568}, +{ -739,-1018,-1018,-1018,-1018}, +{ -379, -658, -658, -658, -658}}}}, +/* AU.@@..UA */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@A..UA */ +{{ 0, 0, 0, 0, 0}, +{ -399, -399, -399, -399, -399}, +{ -429, -429, -429, -429, -429}, +{ -379, -379, -379, -379, -379}, +{ -279, -279, -279, -279, -279}}, +/* AU.@C..UA */ +{{ 0, 0, 0, 0, 0}, +{ -629, -629, -629, -629, -629}, +{ -509, -509, -509, -509, -509}, +{ -679, -679, -679, -679, -679}, +{ -139, -139, -139, -139, -139}}, +/* AU.@G..UA */ +{{ 0, 0, 0, 0, 0}, +{ -889, -889, -889, -889, -889}, +{ -199, -199, -199, -199, -199}, +{ -889, -889, -889, -889, -889}, +{ -279, -279, -279, -279, -279}}, +/* AU.@U..UA */ +{{ 0, 0, 0, 0, 0}, +{ -589, -589, -589, -589, -589}, +{ -179, -179, -179, -179, -179}, +{ -679, -679, -679, -679, -679}, +{ -140, -140, -140, -140, -140}}}, +/* AU.A@..UA */ +{{{ -50, -429, -599, -599, -599}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AA..UA */ +{{ -50, -429, -599, -599, -599}, +{ -449, -828, -998, -998, -998}, +{ -479, -858,-1028,-1028,-1028}, +{ -429, -808, -978, -978, -978}, +{ -329, -708, -878, -878, -878}}, +/* AU.AC..UA */ +{{ -50, -429, -599, -599, -599}, +{ -679,-1058,-1228,-1228,-1228}, +{ -559, -938,-1108,-1108,-1108}, +{ -729,-1108,-1278,-1278,-1278}, +{ -189, -568, -738, -738, -738}}, +/* AU.AG..UA */ +{{ -50, -429, -599, -599, -599}, +{ -939,-1318,-1488,-1488,-1488}, +{ -249, -628, -798, -798, -798}, +{ -939,-1318,-1488,-1488,-1488}, +{ -329, -708, -878, -878, -878}}, +/* AU.AU..UA */ +{{ -50, -429, -599, -599, -599}, +{ -639,-1018,-1188,-1188,-1188}, +{ -229, -608, -778, -778, -778}, +{ -729,-1108,-1278,-1278,-1278}, +{ -190, -569, -739, -739, -739}}}, +/* AU.C@..UA */ +{{{ -50, -259, -239, -239, -239}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CA..UA */ +{{ -50, -259, -239, -239, -239}, +{ -449, -658, -638, -638, -638}, +{ -479, -688, -668, -668, -668}, +{ -429, -638, -618, -618, -618}, +{ -329, -538, -518, -518, -518}}, +/* AU.CC..UA */ +{{ -50, -259, -239, -239, -239}, +{ -679, -888, -868, -868, -868}, +{ -559, -768, -748, -748, -748}, +{ -729, -938, -918, -918, -918}, +{ -189, -398, -378, -378, -378}}, +/* AU.CG..UA */ +{{ -50, -259, -239, -239, -239}, +{ -939,-1148,-1128,-1128,-1128}, +{ -249, -458, -438, -438, -438}, +{ -939,-1148,-1128,-1128,-1128}, +{ -329, -538, -518, -518, -518}}, +/* AU.CU..UA */ +{{ -50, -259, -239, -239, -239}, +{ -639, -848, -828, -828, -828}, +{ -229, -438, -418, -418, -418}, +{ -729, -938, -918, -918, -918}, +{ -190, -399, -379, -379, -379}}}, +/* AU.G@..UA */ +{{{ -50, -339, -689, -689, -689}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GA..UA */ +{{ -50, -339, -689, -689, -689}, +{ -449, -738,-1088,-1088,-1088}, +{ -479, -768,-1118,-1118,-1118}, +{ -429, -718,-1068,-1068,-1068}, +{ -329, -618, -968, -968, -968}}, +/* AU.GC..UA */ +{{ -50, -339, -689, -689, -689}, +{ -679, -968,-1318,-1318,-1318}, +{ -559, -848,-1198,-1198,-1198}, +{ -729,-1018,-1368,-1368,-1368}, +{ -189, -478, -828, -828, -828}}, +/* AU.GG..UA */ +{{ -50, -339, -689, -689, -689}, +{ -939,-1228,-1578,-1578,-1578}, +{ -249, -538, -888, -888, -888}, +{ -939,-1228,-1578,-1578,-1578}, +{ -329, -618, -968, -968, -968}}, +/* AU.GU..UA */ +{{ -50, -339, -689, -689, -689}, +{ -639, -928,-1278,-1278,-1278}, +{ -229, -518, -868, -868, -868}, +{ -729,-1018,-1368,-1368,-1368}, +{ -190, -479, -829, -829, -829}}}, +/* AU.U@..UA */ +{{{ -50, -329, -329, -329, -329}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UA..UA */ +{{ -50, -329, -329, -329, -329}, +{ -449, -728, -728, -728, -728}, +{ -479, -758, -758, -758, -758}, +{ -429, -708, -708, -708, -708}, +{ -329, -608, -608, -608, -608}}, +/* AU.UC..UA */ +{{ -50, -329, -329, -329, -329}, +{ -679, -958, -958, -958, -958}, +{ -559, -838, -838, -838, -838}, +{ -729,-1008,-1008,-1008,-1008}, +{ -189, -468, -468, -468, -468}}, +/* AU.UG..UA */ +{{ -50, -329, -329, -329, -329}, +{ -939,-1218,-1218,-1218,-1218}, +{ -249, -528, -528, -528, -528}, +{ -939,-1218,-1218,-1218,-1218}, +{ -329, -608, -608, -608, -608}}, +/* AU.UU..UA */ +{{ -50, -329, -329, -329, -329}, +{ -639, -918, -918, -918, -918}, +{ -229, -508, -508, -508, -508}, +{ -729,-1008,-1008,-1008,-1008}, +{ -190, -469, -469, -469, -469}}}}, +/* AU.@@.. @ */ +{{{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@A.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@C.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@G.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* AU.@U.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}}, +/* AU.A@.. @ */ +{{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AA.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AC.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AG.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}, +/* AU.AU.. @ */ +{{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}, +{ -100, -479, -649, -649, -649}}}, +/* AU.C@.. @ */ +{{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CA.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CC.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CG.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}, +/* AU.CU.. @ */ +{{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}, +{ -100, -309, -289, -289, -289}}}, +/* AU.G@.. @ */ +{{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GA.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GC.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GG.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}, +/* AU.GU.. @ */ +{{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}, +{ -100, -389, -739, -739, -739}}}, +/* AU.U@.. @ */ +{{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UA.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UC.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UG.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}, +/* AU.UU.. @ */ +{{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}, +{ -100, -379, -379, -379, -379}}}}}, +{ /* noPair */ {{{{0}}}}, +/* UA.@@..CG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@A..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* UA.@C..CG */ +{{ 0, 0, 0, 0, 0}, +{ -949, -949, -949, -949, -949}, +{ -449, -449, -449, -449, -449}, +{ -939, -939, -939, -939, -939}, +{ -739, -739, -739, -739, -739}}, +/* UA.@G..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -519, -519, -519, -519, -519}, +{ -939, -939, -939, -939, -939}, +{ -809, -809, -809, -809, -809}}, +/* UA.@U..CG */ +{{ 0, 0, 0, 0, 0}, +{-1029,-1029,-1029,-1029,-1029}, +{ -669, -669, -669, -669, -669}, +{ -939, -939, -939, -939, -939}, +{ -859, -859, -859, -859, -859}}}, +/* UA.A@..CG */ +{{{ -50, -399, -629, -889, -589}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AA..CG */ +{{ -50, -399, -629, -889, -589}, +{-1079,-1428,-1658,-1918,-1618}, +{ -569, -918,-1148,-1408,-1108}, +{ -989,-1338,-1568,-1828,-1528}, +{ -859,-1208,-1438,-1698,-1398}}, +/* UA.AC..CG */ +{{ -50, -399, -629, -889, -589}, +{ -999,-1348,-1578,-1838,-1538}, +{ -499, -848,-1078,-1338,-1038}, +{ -989,-1338,-1568,-1828,-1528}, +{ -789,-1138,-1368,-1628,-1328}}, +/* UA.AG..CG */ +{{ -50, -399, -629, -889, -589}, +{-1079,-1428,-1658,-1918,-1618}, +{ -569, -918,-1148,-1408,-1108}, +{ -989,-1338,-1568,-1828,-1528}, +{ -859,-1208,-1438,-1698,-1398}}, +/* UA.AU..CG */ +{{ -50, -399, -629, -889, -589}, +{-1079,-1428,-1658,-1918,-1618}, +{ -719,-1068,-1298,-1558,-1258}, +{ -989,-1338,-1568,-1828,-1528}, +{ -909,-1258,-1488,-1748,-1448}}}, +/* UA.C@..CG */ +{{{ -50, -429, -509, -199, -179}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CA..CG */ +{{ -50, -429, -509, -199, -179}, +{-1079,-1458,-1538,-1228,-1208}, +{ -569, -948,-1028, -718, -698}, +{ -989,-1368,-1448,-1138,-1118}, +{ -859,-1238,-1318,-1008, -988}}, +/* UA.CC..CG */ +{{ -50, -429, -509, -199, -179}, +{ -999,-1378,-1458,-1148,-1128}, +{ -499, -878, -958, -648, -628}, +{ -989,-1368,-1448,-1138,-1118}, +{ -789,-1168,-1248, -938, -918}}, +/* UA.CG..CG */ +{{ -50, -429, -509, -199, -179}, +{-1079,-1458,-1538,-1228,-1208}, +{ -569, -948,-1028, -718, -698}, +{ -989,-1368,-1448,-1138,-1118}, +{ -859,-1238,-1318,-1008, -988}}, +/* UA.CU..CG */ +{{ -50, -429, -509, -199, -179}, +{-1079,-1458,-1538,-1228,-1208}, +{ -719,-1098,-1178, -868, -848}, +{ -989,-1368,-1448,-1138,-1118}, +{ -909,-1288,-1368,-1058,-1038}}}, +/* UA.G@..CG */ +{{{ -50, -379, -679, -889, -679}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GA..CG */ +{{ -50, -379, -679, -889, -679}, +{-1079,-1408,-1708,-1918,-1708}, +{ -569, -898,-1198,-1408,-1198}, +{ -989,-1318,-1618,-1828,-1618}, +{ -859,-1188,-1488,-1698,-1488}}, +/* UA.GC..CG */ +{{ -50, -379, -679, -889, -679}, +{ -999,-1328,-1628,-1838,-1628}, +{ -499, -828,-1128,-1338,-1128}, +{ -989,-1318,-1618,-1828,-1618}, +{ -789,-1118,-1418,-1628,-1418}}, +/* UA.GG..CG */ +{{ -50, -379, -679, -889, -679}, +{-1079,-1408,-1708,-1918,-1708}, +{ -569, -898,-1198,-1408,-1198}, +{ -989,-1318,-1618,-1828,-1618}, +{ -859,-1188,-1488,-1698,-1488}}, +/* UA.GU..CG */ +{{ -50, -379, -679, -889, -679}, +{-1079,-1408,-1708,-1918,-1708}, +{ -719,-1048,-1348,-1558,-1348}, +{ -989,-1318,-1618,-1828,-1618}, +{ -909,-1238,-1538,-1748,-1538}}}, +/* UA.U@..CG */ +{{{ -50, -279, -139, -279, -140}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UA..CG */ +{{ -50, -279, -139, -279, -140}, +{-1079,-1308,-1168,-1308,-1169}, +{ -569, -798, -658, -798, -659}, +{ -989,-1218,-1078,-1218,-1079}, +{ -859,-1088, -948,-1088, -949}}, +/* UA.UC..CG */ +{{ -50, -279, -139, -279, -140}, +{ -999,-1228,-1088,-1228,-1089}, +{ -499, -728, -588, -728, -589}, +{ -989,-1218,-1078,-1218,-1079}, +{ -789,-1018, -878,-1018, -879}}, +/* UA.UG..CG */ +{{ -50, -279, -139, -279, -140}, +{-1079,-1308,-1168,-1308,-1169}, +{ -569, -798, -658, -798, -659}, +{ -989,-1218,-1078,-1218,-1079}, +{ -859,-1088, -948,-1088, -949}}, +/* UA.UU..CG */ +{{ -50, -279, -139, -279, -140}, +{-1079,-1308,-1168,-1308,-1169}, +{ -719, -948, -808, -948, -809}, +{ -989,-1218,-1078,-1218,-1079}, +{ -909,-1138, -998,-1138, -999}}}}, +/* UA.@@..GC */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@A..GC */ +{{ 0, 0, 0, 0, 0}, +{ -519, -519, -519, -519, -519}, +{ -719, -719, -719, -719, -719}, +{ -709, -709, -709, -709, -709}, +{ -499, -499, -499, -499, -499}}, +/* UA.@C..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -309, -309, -309, -309, -309}, +{ -739, -739, -739, -739, -739}, +{ -499, -499, -499, -499, -499}}, +/* UA.@G..GC */ +{{ 0, 0, 0, 0, 0}, +{ -559, -559, -559, -559, -559}, +{ -309, -309, -309, -309, -309}, +{ -619, -619, -619, -619, -619}, +{ -499, -499, -499, -499, -499}}, +/* UA.@U..GC */ +{{ 0, 0, 0, 0, 0}, +{ -879, -879, -879, -879, -879}, +{ -389, -389, -389, -389, -389}, +{ -739, -739, -739, -739, -739}, +{ -569, -569, -569, -569, -569}}}, +/* UA.A@..GC */ +{{{ -50, -399, -629, -889, -589}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AA..GC */ +{{ -50, -399, -629, -889, -589}, +{ -569, -918,-1148,-1408,-1108}, +{ -769,-1118,-1348,-1608,-1308}, +{ -759,-1108,-1338,-1598,-1298}, +{ -549, -898,-1128,-1388,-1088}}, +/* UA.AC..GC */ +{{ -50, -399, -629, -889, -589}, +{ -929,-1278,-1508,-1768,-1468}, +{ -359, -708, -938,-1198, -898}, +{ -789,-1138,-1368,-1628,-1328}, +{ -549, -898,-1128,-1388,-1088}}, +/* UA.AG..GC */ +{{ -50, -399, -629, -889, -589}, +{ -609, -958,-1188,-1448,-1148}, +{ -359, -708, -938,-1198, -898}, +{ -669,-1018,-1248,-1508,-1208}, +{ -549, -898,-1128,-1388,-1088}}, +/* UA.AU..GC */ +{{ -50, -399, -629, -889, -589}, +{ -929,-1278,-1508,-1768,-1468}, +{ -439, -788,-1018,-1278, -978}, +{ -789,-1138,-1368,-1628,-1328}, +{ -619, -968,-1198,-1458,-1158}}}, +/* UA.C@..GC */ +{{{ -50, -429, -509, -199, -179}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CA..GC */ +{{ -50, -429, -509, -199, -179}, +{ -569, -948,-1028, -718, -698}, +{ -769,-1148,-1228, -918, -898}, +{ -759,-1138,-1218, -908, -888}, +{ -549, -928,-1008, -698, -678}}, +/* UA.CC..GC */ +{{ -50, -429, -509, -199, -179}, +{ -929,-1308,-1388,-1078,-1058}, +{ -359, -738, -818, -508, -488}, +{ -789,-1168,-1248, -938, -918}, +{ -549, -928,-1008, -698, -678}}, +/* UA.CG..GC */ +{{ -50, -429, -509, -199, -179}, +{ -609, -988,-1068, -758, -738}, +{ -359, -738, -818, -508, -488}, +{ -669,-1048,-1128, -818, -798}, +{ -549, -928,-1008, -698, -678}}, +/* UA.CU..GC */ +{{ -50, -429, -509, -199, -179}, +{ -929,-1308,-1388,-1078,-1058}, +{ -439, -818, -898, -588, -568}, +{ -789,-1168,-1248, -938, -918}, +{ -619, -998,-1078, -768, -748}}}, +/* UA.G@..GC */ +{{{ -50, -379, -679, -889, -679}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GA..GC */ +{{ -50, -379, -679, -889, -679}, +{ -569, -898,-1198,-1408,-1198}, +{ -769,-1098,-1398,-1608,-1398}, +{ -759,-1088,-1388,-1598,-1388}, +{ -549, -878,-1178,-1388,-1178}}, +/* UA.GC..GC */ +{{ -50, -379, -679, -889, -679}, +{ -929,-1258,-1558,-1768,-1558}, +{ -359, -688, -988,-1198, -988}, +{ -789,-1118,-1418,-1628,-1418}, +{ -549, -878,-1178,-1388,-1178}}, +/* UA.GG..GC */ +{{ -50, -379, -679, -889, -679}, +{ -609, -938,-1238,-1448,-1238}, +{ -359, -688, -988,-1198, -988}, +{ -669, -998,-1298,-1508,-1298}, +{ -549, -878,-1178,-1388,-1178}}, +/* UA.GU..GC */ +{{ -50, -379, -679, -889, -679}, +{ -929,-1258,-1558,-1768,-1558}, +{ -439, -768,-1068,-1278,-1068}, +{ -789,-1118,-1418,-1628,-1418}, +{ -619, -948,-1248,-1458,-1248}}}, +/* UA.U@..GC */ +{{{ -50, -279, -139, -279, -140}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UA..GC */ +{{ -50, -279, -139, -279, -140}, +{ -569, -798, -658, -798, -659}, +{ -769, -998, -858, -998, -859}, +{ -759, -988, -848, -988, -849}, +{ -549, -778, -638, -778, -639}}, +/* UA.UC..GC */ +{{ -50, -279, -139, -279, -140}, +{ -929,-1158,-1018,-1158,-1019}, +{ -359, -588, -448, -588, -449}, +{ -789,-1018, -878,-1018, -879}, +{ -549, -778, -638, -778, -639}}, +/* UA.UG..GC */ +{{ -50, -279, -139, -279, -140}, +{ -609, -838, -698, -838, -699}, +{ -359, -588, -448, -588, -449}, +{ -669, -898, -758, -898, -759}, +{ -549, -778, -638, -778, -639}}, +/* UA.UU..GC */ +{{ -50, -279, -139, -279, -140}, +{ -929,-1158,-1018,-1158,-1019}, +{ -439, -668, -528, -668, -529}, +{ -789,-1018, -878,-1018, -879}, +{ -619, -848, -708, -848, -709}}}}, +/* UA.@@..GU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@A..GU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* UA.@C..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UA.@G..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UA.@U..GU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* UA.A@..GU */ +{{{ -50, -399, -629, -889, -589}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AA..GU */ +{{ -50, -399, -629, -889, -589}, +{ -479, -828,-1058,-1318,-1018}, +{ -309, -658, -888,-1148, -848}, +{ -389, -738, -968,-1228, -928}, +{ -379, -728, -958,-1218, -918}}, +/* UA.AC..GU */ +{{ -50, -399, -629, -889, -589}, +{ -649, -998,-1228,-1488,-1188}, +{ -289, -638, -868,-1128, -828}, +{ -739,-1088,-1318,-1578,-1278}, +{ -379, -728, -958,-1218, -918}}, +/* UA.AG..GU */ +{{ -50, -399, -629, -889, -589}, +{ -649, -998,-1228,-1488,-1188}, +{ -289, -638, -868,-1128, -828}, +{ -739,-1088,-1318,-1578,-1278}, +{ -379, -728, -958,-1218, -918}}, +/* UA.AU..GU */ +{{ -50, -399, -629, -889, -589}, +{ -649, -998,-1228,-1488,-1188}, +{ -289, -638, -868,-1128, -828}, +{ -739,-1088,-1318,-1578,-1278}, +{ -379, -728, -958,-1218, -918}}}, +/* UA.C@..GU */ +{{{ -50, -429, -509, -199, -179}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CA..GU */ +{{ -50, -429, -509, -199, -179}, +{ -479, -858, -938, -628, -608}, +{ -309, -688, -768, -458, -438}, +{ -389, -768, -848, -538, -518}, +{ -379, -758, -838, -528, -508}}, +/* UA.CC..GU */ +{{ -50, -429, -509, -199, -179}, +{ -649,-1028,-1108, -798, -778}, +{ -289, -668, -748, -438, -418}, +{ -739,-1118,-1198, -888, -868}, +{ -379, -758, -838, -528, -508}}, +/* UA.CG..GU */ +{{ -50, -429, -509, -199, -179}, +{ -649,-1028,-1108, -798, -778}, +{ -289, -668, -748, -438, -418}, +{ -739,-1118,-1198, -888, -868}, +{ -379, -758, -838, -528, -508}}, +/* UA.CU..GU */ +{{ -50, -429, -509, -199, -179}, +{ -649,-1028,-1108, -798, -778}, +{ -289, -668, -748, -438, -418}, +{ -739,-1118,-1198, -888, -868}, +{ -379, -758, -838, -528, -508}}}, +/* UA.G@..GU */ +{{{ -50, -379, -679, -889, -679}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GA..GU */ +{{ -50, -379, -679, -889, -679}, +{ -479, -808,-1108,-1318,-1108}, +{ -309, -638, -938,-1148, -938}, +{ -389, -718,-1018,-1228,-1018}, +{ -379, -708,-1008,-1218,-1008}}, +/* UA.GC..GU */ +{{ -50, -379, -679, -889, -679}, +{ -649, -978,-1278,-1488,-1278}, +{ -289, -618, -918,-1128, -918}, +{ -739,-1068,-1368,-1578,-1368}, +{ -379, -708,-1008,-1218,-1008}}, +/* UA.GG..GU */ +{{ -50, -379, -679, -889, -679}, +{ -649, -978,-1278,-1488,-1278}, +{ -289, -618, -918,-1128, -918}, +{ -739,-1068,-1368,-1578,-1368}, +{ -379, -708,-1008,-1218,-1008}}, +/* UA.GU..GU */ +{{ -50, -379, -679, -889, -679}, +{ -649, -978,-1278,-1488,-1278}, +{ -289, -618, -918,-1128, -918}, +{ -739,-1068,-1368,-1578,-1368}, +{ -379, -708,-1008,-1218,-1008}}}, +/* UA.U@..GU */ +{{{ -50, -279, -139, -279, -140}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UA..GU */ +{{ -50, -279, -139, -279, -140}, +{ -479, -708, -568, -708, -569}, +{ -309, -538, -398, -538, -399}, +{ -389, -618, -478, -618, -479}, +{ -379, -608, -468, -608, -469}}, +/* UA.UC..GU */ +{{ -50, -279, -139, -279, -140}, +{ -649, -878, -738, -878, -739}, +{ -289, -518, -378, -518, -379}, +{ -739, -968, -828, -968, -829}, +{ -379, -608, -468, -608, -469}}, +/* UA.UG..GU */ +{{ -50, -279, -139, -279, -140}, +{ -649, -878, -738, -878, -739}, +{ -289, -518, -378, -518, -379}, +{ -739, -968, -828, -968, -829}, +{ -379, -608, -468, -608, -469}}, +/* UA.UU..GU */ +{{ -50, -279, -139, -279, -140}, +{ -649, -878, -738, -878, -739}, +{ -289, -518, -378, -518, -379}, +{ -739, -968, -828, -968, -829}, +{ -379, -608, -468, -608, -469}}}}, +/* UA.@@..UG */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@A..UG */ +{{ 0, 0, 0, 0, 0}, +{ -719, -719, -719, -719, -719}, +{ -479, -479, -479, -479, -479}, +{ -659, -659, -659, -659, -659}, +{ -549, -549, -549, -549, -549}}, +/* UA.@C..UG */ +{{ 0, 0, 0, 0, 0}, +{ -789, -789, -789, -789, -789}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -439, -439, -439, -439, -439}}, +/* UA.@G..UG */ +{{ 0, 0, 0, 0, 0}, +{ -959, -959, -959, -959, -959}, +{ -359, -359, -359, -359, -359}, +{ -919, -919, -919, -919, -919}, +{ -549, -549, -549, -549, -549}}, +/* UA.@U..UG */ +{{ 0, 0, 0, 0, 0}, +{ -809, -809, -809, -809, -809}, +{ -479, -479, -479, -479, -479}, +{ -809, -809, -809, -809, -809}, +{ -359, -359, -359, -359, -359}}}, +/* UA.A@..UG */ +{{{ -50, -399, -629, -889, -589}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AA..UG */ +{{ -50, -399, -629, -889, -589}, +{ -769,-1118,-1348,-1608,-1308}, +{ -529, -878,-1108,-1368,-1068}, +{ -709,-1058,-1288,-1548,-1248}, +{ -599, -948,-1178,-1438,-1138}}, +/* UA.AC..UG */ +{{ -50, -399, -629, -889, -589}, +{ -839,-1188,-1418,-1678,-1378}, +{ -529, -878,-1108,-1368,-1068}, +{ -859,-1208,-1438,-1698,-1398}, +{ -489, -838,-1068,-1328,-1028}}, +/* UA.AG..UG */ +{{ -50, -399, -629, -889, -589}, +{-1009,-1358,-1588,-1848,-1548}, +{ -409, -758, -988,-1248, -948}, +{ -969,-1318,-1548,-1808,-1508}, +{ -599, -948,-1178,-1438,-1138}}, +/* UA.AU..UG */ +{{ -50, -399, -629, -889, -589}, +{ -859,-1208,-1438,-1698,-1398}, +{ -529, -878,-1108,-1368,-1068}, +{ -859,-1208,-1438,-1698,-1398}, +{ -409, -758, -988,-1248, -948}}}, +/* UA.C@..UG */ +{{{ -50, -429, -509, -199, -179}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CA..UG */ +{{ -50, -429, -509, -199, -179}, +{ -769,-1148,-1228, -918, -898}, +{ -529, -908, -988, -678, -658}, +{ -709,-1088,-1168, -858, -838}, +{ -599, -978,-1058, -748, -728}}, +/* UA.CC..UG */ +{{ -50, -429, -509, -199, -179}, +{ -839,-1218,-1298, -988, -968}, +{ -529, -908, -988, -678, -658}, +{ -859,-1238,-1318,-1008, -988}, +{ -489, -868, -948, -638, -618}}, +/* UA.CG..UG */ +{{ -50, -429, -509, -199, -179}, +{-1009,-1388,-1468,-1158,-1138}, +{ -409, -788, -868, -558, -538}, +{ -969,-1348,-1428,-1118,-1098}, +{ -599, -978,-1058, -748, -728}}, +/* UA.CU..UG */ +{{ -50, -429, -509, -199, -179}, +{ -859,-1238,-1318,-1008, -988}, +{ -529, -908, -988, -678, -658}, +{ -859,-1238,-1318,-1008, -988}, +{ -409, -788, -868, -558, -538}}}, +/* UA.G@..UG */ +{{{ -50, -379, -679, -889, -679}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GA..UG */ +{{ -50, -379, -679, -889, -679}, +{ -769,-1098,-1398,-1608,-1398}, +{ -529, -858,-1158,-1368,-1158}, +{ -709,-1038,-1338,-1548,-1338}, +{ -599, -928,-1228,-1438,-1228}}, +/* UA.GC..UG */ +{{ -50, -379, -679, -889, -679}, +{ -839,-1168,-1468,-1678,-1468}, +{ -529, -858,-1158,-1368,-1158}, +{ -859,-1188,-1488,-1698,-1488}, +{ -489, -818,-1118,-1328,-1118}}, +/* UA.GG..UG */ +{{ -50, -379, -679, -889, -679}, +{-1009,-1338,-1638,-1848,-1638}, +{ -409, -738,-1038,-1248,-1038}, +{ -969,-1298,-1598,-1808,-1598}, +{ -599, -928,-1228,-1438,-1228}}, +/* UA.GU..UG */ +{{ -50, -379, -679, -889, -679}, +{ -859,-1188,-1488,-1698,-1488}, +{ -529, -858,-1158,-1368,-1158}, +{ -859,-1188,-1488,-1698,-1488}, +{ -409, -738,-1038,-1248,-1038}}}, +/* UA.U@..UG */ +{{{ -50, -279, -139, -279, -140}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UA..UG */ +{{ -50, -279, -139, -279, -140}, +{ -769, -998, -858, -998, -859}, +{ -529, -758, -618, -758, -619}, +{ -709, -938, -798, -938, -799}, +{ -599, -828, -688, -828, -689}}, +/* UA.UC..UG */ +{{ -50, -279, -139, -279, -140}, +{ -839,-1068, -928,-1068, -929}, +{ -529, -758, -618, -758, -619}, +{ -859,-1088, -948,-1088, -949}, +{ -489, -718, -578, -718, -579}}, +/* UA.UG..UG */ +{{ -50, -279, -139, -279, -140}, +{-1009,-1238,-1098,-1238,-1099}, +{ -409, -638, -498, -638, -499}, +{ -969,-1198,-1058,-1198,-1059}, +{ -599, -828, -688, -828, -689}}, +/* UA.UU..UG */ +{{ -50, -279, -139, -279, -140}, +{ -859,-1088, -948,-1088, -949}, +{ -529, -758, -618, -758, -619}, +{ -859,-1088, -948,-1088, -949}, +{ -409, -638, -498, -638, -499}}}}, +/* UA.@@..AU */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@A..AU */ +{{ 0, 0, 0, 0, 0}, +{ -429, -429, -429, -429, -429}, +{ -259, -259, -259, -259, -259}, +{ -339, -339, -339, -339, -339}, +{ -329, -329, -329, -329, -329}}, +/* UA.@C..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UA.@G..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}, +/* UA.@U..AU */ +{{ 0, 0, 0, 0, 0}, +{ -599, -599, -599, -599, -599}, +{ -239, -239, -239, -239, -239}, +{ -689, -689, -689, -689, -689}, +{ -329, -329, -329, -329, -329}}}, +/* UA.A@..AU */ +{{{ -50, -399, -629, -889, -589}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AA..AU */ +{{ -50, -399, -629, -889, -589}, +{ -479, -828,-1058,-1318,-1018}, +{ -309, -658, -888,-1148, -848}, +{ -389, -738, -968,-1228, -928}, +{ -379, -728, -958,-1218, -918}}, +/* UA.AC..AU */ +{{ -50, -399, -629, -889, -589}, +{ -649, -998,-1228,-1488,-1188}, +{ -289, -638, -868,-1128, -828}, +{ -739,-1088,-1318,-1578,-1278}, +{ -379, -728, -958,-1218, -918}}, +/* UA.AG..AU */ +{{ -50, -399, -629, -889, -589}, +{ -649, -998,-1228,-1488,-1188}, +{ -289, -638, -868,-1128, -828}, +{ -739,-1088,-1318,-1578,-1278}, +{ -379, -728, -958,-1218, -918}}, +/* UA.AU..AU */ +{{ -50, -399, -629, -889, -589}, +{ -649, -998,-1228,-1488,-1188}, +{ -289, -638, -868,-1128, -828}, +{ -739,-1088,-1318,-1578,-1278}, +{ -379, -728, -958,-1218, -918}}}, +/* UA.C@..AU */ +{{{ -50, -429, -509, -199, -179}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CA..AU */ +{{ -50, -429, -509, -199, -179}, +{ -479, -858, -938, -628, -608}, +{ -309, -688, -768, -458, -438}, +{ -389, -768, -848, -538, -518}, +{ -379, -758, -838, -528, -508}}, +/* UA.CC..AU */ +{{ -50, -429, -509, -199, -179}, +{ -649,-1028,-1108, -798, -778}, +{ -289, -668, -748, -438, -418}, +{ -739,-1118,-1198, -888, -868}, +{ -379, -758, -838, -528, -508}}, +/* UA.CG..AU */ +{{ -50, -429, -509, -199, -179}, +{ -649,-1028,-1108, -798, -778}, +{ -289, -668, -748, -438, -418}, +{ -739,-1118,-1198, -888, -868}, +{ -379, -758, -838, -528, -508}}, +/* UA.CU..AU */ +{{ -50, -429, -509, -199, -179}, +{ -649,-1028,-1108, -798, -778}, +{ -289, -668, -748, -438, -418}, +{ -739,-1118,-1198, -888, -868}, +{ -379, -758, -838, -528, -508}}}, +/* UA.G@..AU */ +{{{ -50, -379, -679, -889, -679}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GA..AU */ +{{ -50, -379, -679, -889, -679}, +{ -479, -808,-1108,-1318,-1108}, +{ -309, -638, -938,-1148, -938}, +{ -389, -718,-1018,-1228,-1018}, +{ -379, -708,-1008,-1218,-1008}}, +/* UA.GC..AU */ +{{ -50, -379, -679, -889, -679}, +{ -649, -978,-1278,-1488,-1278}, +{ -289, -618, -918,-1128, -918}, +{ -739,-1068,-1368,-1578,-1368}, +{ -379, -708,-1008,-1218,-1008}}, +/* UA.GG..AU */ +{{ -50, -379, -679, -889, -679}, +{ -649, -978,-1278,-1488,-1278}, +{ -289, -618, -918,-1128, -918}, +{ -739,-1068,-1368,-1578,-1368}, +{ -379, -708,-1008,-1218,-1008}}, +/* UA.GU..AU */ +{{ -50, -379, -679, -889, -679}, +{ -649, -978,-1278,-1488,-1278}, +{ -289, -618, -918,-1128, -918}, +{ -739,-1068,-1368,-1578,-1368}, +{ -379, -708,-1008,-1218,-1008}}}, +/* UA.U@..AU */ +{{{ -50, -279, -139, -279, -140}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UA..AU */ +{{ -50, -279, -139, -279, -140}, +{ -479, -708, -568, -708, -569}, +{ -309, -538, -398, -538, -399}, +{ -389, -618, -478, -618, -479}, +{ -379, -608, -468, -608, -469}}, +/* UA.UC..AU */ +{{ -50, -279, -139, -279, -140}, +{ -649, -878, -738, -878, -739}, +{ -289, -518, -378, -518, -379}, +{ -739, -968, -828, -968, -829}, +{ -379, -608, -468, -608, -469}}, +/* UA.UG..AU */ +{{ -50, -279, -139, -279, -140}, +{ -649, -878, -738, -878, -739}, +{ -289, -518, -378, -518, -379}, +{ -739, -968, -828, -968, -829}, +{ -379, -608, -468, -608, -469}}, +/* UA.UU..AU */ +{{ -50, -279, -139, -279, -140}, +{ -649, -878, -738, -878, -739}, +{ -289, -518, -378, -518, -379}, +{ -739, -968, -828, -968, -829}, +{ -379, -608, -468, -608, -469}}}}, +/* UA.@@..UA */ +{{{{ 0, 0, 0, 0, 0}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@A..UA */ +{{ 0, 0, 0, 0, 0}, +{ -399, -399, -399, -399, -399}, +{ -429, -429, -429, -429, -429}, +{ -379, -379, -379, -379, -379}, +{ -279, -279, -279, -279, -279}}, +/* UA.@C..UA */ +{{ 0, 0, 0, 0, 0}, +{ -629, -629, -629, -629, -629}, +{ -509, -509, -509, -509, -509}, +{ -679, -679, -679, -679, -679}, +{ -139, -139, -139, -139, -139}}, +/* UA.@G..UA */ +{{ 0, 0, 0, 0, 0}, +{ -889, -889, -889, -889, -889}, +{ -199, -199, -199, -199, -199}, +{ -889, -889, -889, -889, -889}, +{ -279, -279, -279, -279, -279}}, +/* UA.@U..UA */ +{{ 0, 0, 0, 0, 0}, +{ -589, -589, -589, -589, -589}, +{ -179, -179, -179, -179, -179}, +{ -679, -679, -679, -679, -679}, +{ -140, -140, -140, -140, -140}}}, +/* UA.A@..UA */ +{{{ -50, -399, -629, -889, -589}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AA..UA */ +{{ -50, -399, -629, -889, -589}, +{ -449, -798,-1028,-1288, -988}, +{ -479, -828,-1058,-1318,-1018}, +{ -429, -778,-1008,-1268, -968}, +{ -329, -678, -908,-1168, -868}}, +/* UA.AC..UA */ +{{ -50, -399, -629, -889, -589}, +{ -679,-1028,-1258,-1518,-1218}, +{ -559, -908,-1138,-1398,-1098}, +{ -729,-1078,-1308,-1568,-1268}, +{ -189, -538, -768,-1028, -728}}, +/* UA.AG..UA */ +{{ -50, -399, -629, -889, -589}, +{ -939,-1288,-1518,-1778,-1478}, +{ -249, -598, -828,-1088, -788}, +{ -939,-1288,-1518,-1778,-1478}, +{ -329, -678, -908,-1168, -868}}, +/* UA.AU..UA */ +{{ -50, -399, -629, -889, -589}, +{ -639, -988,-1218,-1478,-1178}, +{ -229, -578, -808,-1068, -768}, +{ -729,-1078,-1308,-1568,-1268}, +{ -190, -539, -769,-1029, -729}}}, +/* UA.C@..UA */ +{{{ -50, -429, -509, -199, -179}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CA..UA */ +{{ -50, -429, -509, -199, -179}, +{ -449, -828, -908, -598, -578}, +{ -479, -858, -938, -628, -608}, +{ -429, -808, -888, -578, -558}, +{ -329, -708, -788, -478, -458}}, +/* UA.CC..UA */ +{{ -50, -429, -509, -199, -179}, +{ -679,-1058,-1138, -828, -808}, +{ -559, -938,-1018, -708, -688}, +{ -729,-1108,-1188, -878, -858}, +{ -189, -568, -648, -338, -318}}, +/* UA.CG..UA */ +{{ -50, -429, -509, -199, -179}, +{ -939,-1318,-1398,-1088,-1068}, +{ -249, -628, -708, -398, -378}, +{ -939,-1318,-1398,-1088,-1068}, +{ -329, -708, -788, -478, -458}}, +/* UA.CU..UA */ +{{ -50, -429, -509, -199, -179}, +{ -639,-1018,-1098, -788, -768}, +{ -229, -608, -688, -378, -358}, +{ -729,-1108,-1188, -878, -858}, +{ -190, -569, -649, -339, -319}}}, +/* UA.G@..UA */ +{{{ -50, -379, -679, -889, -679}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GA..UA */ +{{ -50, -379, -679, -889, -679}, +{ -449, -778,-1078,-1288,-1078}, +{ -479, -808,-1108,-1318,-1108}, +{ -429, -758,-1058,-1268,-1058}, +{ -329, -658, -958,-1168, -958}}, +/* UA.GC..UA */ +{{ -50, -379, -679, -889, -679}, +{ -679,-1008,-1308,-1518,-1308}, +{ -559, -888,-1188,-1398,-1188}, +{ -729,-1058,-1358,-1568,-1358}, +{ -189, -518, -818,-1028, -818}}, +/* UA.GG..UA */ +{{ -50, -379, -679, -889, -679}, +{ -939,-1268,-1568,-1778,-1568}, +{ -249, -578, -878,-1088, -878}, +{ -939,-1268,-1568,-1778,-1568}, +{ -329, -658, -958,-1168, -958}}, +/* UA.GU..UA */ +{{ -50, -379, -679, -889, -679}, +{ -639, -968,-1268,-1478,-1268}, +{ -229, -558, -858,-1068, -858}, +{ -729,-1058,-1358,-1568,-1358}, +{ -190, -519, -819,-1029, -819}}}, +/* UA.U@..UA */ +{{{ -50, -279, -139, -279, -140}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UA..UA */ +{{ -50, -279, -139, -279, -140}, +{ -449, -678, -538, -678, -539}, +{ -479, -708, -568, -708, -569}, +{ -429, -658, -518, -658, -519}, +{ -329, -558, -418, -558, -419}}, +/* UA.UC..UA */ +{{ -50, -279, -139, -279, -140}, +{ -679, -908, -768, -908, -769}, +{ -559, -788, -648, -788, -649}, +{ -729, -958, -818, -958, -819}, +{ -189, -418, -278, -418, -279}}, +/* UA.UG..UA */ +{{ -50, -279, -139, -279, -140}, +{ -939,-1168,-1028,-1168,-1029}, +{ -249, -478, -338, -478, -339}, +{ -939,-1168,-1028,-1168,-1029}, +{ -329, -558, -418, -558, -419}}, +/* UA.UU..UA */ +{{ -50, -279, -139, -279, -140}, +{ -639, -868, -728, -868, -729}, +{ -229, -458, -318, -458, -319}, +{ -729, -958, -818, -958, -819}, +{ -190, -419, -279, -419, -280}}}}, +/* UA.@@.. @ */ +{{{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@A.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@C.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@G.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}, +/* UA.@U.. @ */ +{{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}, +{ -50, -50, -50, -50, -50}}}, +/* UA.A@.. @ */ +{{{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AA.. @ */ +{{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AC.. @ */ +{{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AG.. @ */ +{{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}, +/* UA.AU.. @ */ +{{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}, +{ -100, -449, -679, -939, -639}}}, +/* UA.C@.. @ */ +{{{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CA.. @ */ +{{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CC.. @ */ +{{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CG.. @ */ +{{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}, +/* UA.CU.. @ */ +{{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}, +{ -100, -479, -559, -249, -229}}}, +/* UA.G@.. @ */ +{{{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GA.. @ */ +{{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GC.. @ */ +{{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GG.. @ */ +{{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}, +/* UA.GU.. @ */ +{{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}, +{ -100, -429, -729, -939, -729}}}, +/* UA.U@.. @ */ +{{{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UA.. @ */ +{{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UC.. @ */ +{{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UG.. @ */ +{{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}, +/* UA.UU.. @ */ +{{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}, +{ -100, -329, -189, -329, -190}}}}}, +{ /* noPair */ {{{{0}}}}, +/* @.@@..CG */ +{{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@A..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.@C..CG */ +{{ -50, -50, -50, -50, -50}, +{ -999, -999, -999, -999, -999}, +{ -499, -499, -499, -499, -499}, +{ -989, -989, -989, -989, -989}, +{ -789, -789, -789, -789, -789}}, +/* @.@G..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.@U..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -719, -719, -719, -719, -719}, +{ -989, -989, -989, -989, -989}, +{ -909, -909, -909, -909, -909}}}, +/* @.A@..CG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AA..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.AC..CG */ +{{ -50, -50, -50, -50, -50}, +{ -999, -999, -999, -999, -999}, +{ -499, -499, -499, -499, -499}, +{ -989, -989, -989, -989, -989}, +{ -789, -789, -789, -789, -789}}, +/* @.AG..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.AU..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -719, -719, -719, -719, -719}, +{ -989, -989, -989, -989, -989}, +{ -909, -909, -909, -909, -909}}}, +/* @.C@..CG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CA..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.CC..CG */ +{{ -50, -50, -50, -50, -50}, +{ -999, -999, -999, -999, -999}, +{ -499, -499, -499, -499, -499}, +{ -989, -989, -989, -989, -989}, +{ -789, -789, -789, -789, -789}}, +/* @.CG..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.CU..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -719, -719, -719, -719, -719}, +{ -989, -989, -989, -989, -989}, +{ -909, -909, -909, -909, -909}}}, +/* @.G@..CG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GA..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.GC..CG */ +{{ -50, -50, -50, -50, -50}, +{ -999, -999, -999, -999, -999}, +{ -499, -499, -499, -499, -499}, +{ -989, -989, -989, -989, -989}, +{ -789, -789, -789, -789, -789}}, +/* @.GG..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.GU..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -719, -719, -719, -719, -719}, +{ -989, -989, -989, -989, -989}, +{ -909, -909, -909, -909, -909}}}, +/* @.U@..CG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UA..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.UC..CG */ +{{ -50, -50, -50, -50, -50}, +{ -999, -999, -999, -999, -999}, +{ -499, -499, -499, -499, -499}, +{ -989, -989, -989, -989, -989}, +{ -789, -789, -789, -789, -789}}, +/* @.UG..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -569, -569, -569, -569, -569}, +{ -989, -989, -989, -989, -989}, +{ -859, -859, -859, -859, -859}}, +/* @.UU..CG */ +{{ -50, -50, -50, -50, -50}, +{-1079,-1079,-1079,-1079,-1079}, +{ -719, -719, -719, -719, -719}, +{ -989, -989, -989, -989, -989}, +{ -909, -909, -909, -909, -909}}}}, +/* @.@@..GC */ +{{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@A..GC */ +{{ -50, -50, -50, -50, -50}, +{ -569, -569, -569, -569, -569}, +{ -769, -769, -769, -769, -769}, +{ -759, -759, -759, -759, -759}, +{ -549, -549, -549, -549, -549}}, +/* @.@C..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -359, -359, -359, -359, -359}, +{ -789, -789, -789, -789, -789}, +{ -549, -549, -549, -549, -549}}, +/* @.@G..GC */ +{{ -50, -50, -50, -50, -50}, +{ -609, -609, -609, -609, -609}, +{ -359, -359, -359, -359, -359}, +{ -669, -669, -669, -669, -669}, +{ -549, -549, -549, -549, -549}}, +/* @.@U..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -439, -439, -439, -439, -439}, +{ -789, -789, -789, -789, -789}, +{ -619, -619, -619, -619, -619}}}, +/* @.A@..GC */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AA..GC */ +{{ -50, -50, -50, -50, -50}, +{ -569, -569, -569, -569, -569}, +{ -769, -769, -769, -769, -769}, +{ -759, -759, -759, -759, -759}, +{ -549, -549, -549, -549, -549}}, +/* @.AC..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -359, -359, -359, -359, -359}, +{ -789, -789, -789, -789, -789}, +{ -549, -549, -549, -549, -549}}, +/* @.AG..GC */ +{{ -50, -50, -50, -50, -50}, +{ -609, -609, -609, -609, -609}, +{ -359, -359, -359, -359, -359}, +{ -669, -669, -669, -669, -669}, +{ -549, -549, -549, -549, -549}}, +/* @.AU..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -439, -439, -439, -439, -439}, +{ -789, -789, -789, -789, -789}, +{ -619, -619, -619, -619, -619}}}, +/* @.C@..GC */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CA..GC */ +{{ -50, -50, -50, -50, -50}, +{ -569, -569, -569, -569, -569}, +{ -769, -769, -769, -769, -769}, +{ -759, -759, -759, -759, -759}, +{ -549, -549, -549, -549, -549}}, +/* @.CC..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -359, -359, -359, -359, -359}, +{ -789, -789, -789, -789, -789}, +{ -549, -549, -549, -549, -549}}, +/* @.CG..GC */ +{{ -50, -50, -50, -50, -50}, +{ -609, -609, -609, -609, -609}, +{ -359, -359, -359, -359, -359}, +{ -669, -669, -669, -669, -669}, +{ -549, -549, -549, -549, -549}}, +/* @.CU..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -439, -439, -439, -439, -439}, +{ -789, -789, -789, -789, -789}, +{ -619, -619, -619, -619, -619}}}, +/* @.G@..GC */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GA..GC */ +{{ -50, -50, -50, -50, -50}, +{ -569, -569, -569, -569, -569}, +{ -769, -769, -769, -769, -769}, +{ -759, -759, -759, -759, -759}, +{ -549, -549, -549, -549, -549}}, +/* @.GC..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -359, -359, -359, -359, -359}, +{ -789, -789, -789, -789, -789}, +{ -549, -549, -549, -549, -549}}, +/* @.GG..GC */ +{{ -50, -50, -50, -50, -50}, +{ -609, -609, -609, -609, -609}, +{ -359, -359, -359, -359, -359}, +{ -669, -669, -669, -669, -669}, +{ -549, -549, -549, -549, -549}}, +/* @.GU..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -439, -439, -439, -439, -439}, +{ -789, -789, -789, -789, -789}, +{ -619, -619, -619, -619, -619}}}, +/* @.U@..GC */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UA..GC */ +{{ -50, -50, -50, -50, -50}, +{ -569, -569, -569, -569, -569}, +{ -769, -769, -769, -769, -769}, +{ -759, -759, -759, -759, -759}, +{ -549, -549, -549, -549, -549}}, +/* @.UC..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -359, -359, -359, -359, -359}, +{ -789, -789, -789, -789, -789}, +{ -549, -549, -549, -549, -549}}, +/* @.UG..GC */ +{{ -50, -50, -50, -50, -50}, +{ -609, -609, -609, -609, -609}, +{ -359, -359, -359, -359, -359}, +{ -669, -669, -669, -669, -669}, +{ -549, -549, -549, -549, -549}}, +/* @.UU..GC */ +{{ -50, -50, -50, -50, -50}, +{ -929, -929, -929, -929, -929}, +{ -439, -439, -439, -439, -439}, +{ -789, -789, -789, -789, -789}, +{ -619, -619, -619, -619, -619}}}}, +/* @.@@..GU */ +{{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@A..GU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.@C..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.@G..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.@U..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.A@..GU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AA..GU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.AC..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.AG..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.AU..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.C@..GU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CA..GU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.CC..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.CG..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.CU..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.G@..GU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GA..GU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.GC..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.GG..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.GU..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.U@..GU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UA..GU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.UC..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.UG..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.UU..GU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}}, +/* @.@@..UG */ +{{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@A..UG */ +{{ -50, -50, -50, -50, -50}, +{ -769, -769, -769, -769, -769}, +{ -529, -529, -529, -529, -529}, +{ -709, -709, -709, -709, -709}, +{ -599, -599, -599, -599, -599}}, +/* @.@C..UG */ +{{ -50, -50, -50, -50, -50}, +{ -839, -839, -839, -839, -839}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -489, -489, -489, -489, -489}}, +/* @.@G..UG */ +{{ -50, -50, -50, -50, -50}, +{-1009,-1009,-1009,-1009,-1009}, +{ -409, -409, -409, -409, -409}, +{ -969, -969, -969, -969, -969}, +{ -599, -599, -599, -599, -599}}, +/* @.@U..UG */ +{{ -50, -50, -50, -50, -50}, +{ -859, -859, -859, -859, -859}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -409, -409, -409, -409, -409}}}, +/* @.A@..UG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AA..UG */ +{{ -50, -50, -50, -50, -50}, +{ -769, -769, -769, -769, -769}, +{ -529, -529, -529, -529, -529}, +{ -709, -709, -709, -709, -709}, +{ -599, -599, -599, -599, -599}}, +/* @.AC..UG */ +{{ -50, -50, -50, -50, -50}, +{ -839, -839, -839, -839, -839}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -489, -489, -489, -489, -489}}, +/* @.AG..UG */ +{{ -50, -50, -50, -50, -50}, +{-1009,-1009,-1009,-1009,-1009}, +{ -409, -409, -409, -409, -409}, +{ -969, -969, -969, -969, -969}, +{ -599, -599, -599, -599, -599}}, +/* @.AU..UG */ +{{ -50, -50, -50, -50, -50}, +{ -859, -859, -859, -859, -859}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -409, -409, -409, -409, -409}}}, +/* @.C@..UG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CA..UG */ +{{ -50, -50, -50, -50, -50}, +{ -769, -769, -769, -769, -769}, +{ -529, -529, -529, -529, -529}, +{ -709, -709, -709, -709, -709}, +{ -599, -599, -599, -599, -599}}, +/* @.CC..UG */ +{{ -50, -50, -50, -50, -50}, +{ -839, -839, -839, -839, -839}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -489, -489, -489, -489, -489}}, +/* @.CG..UG */ +{{ -50, -50, -50, -50, -50}, +{-1009,-1009,-1009,-1009,-1009}, +{ -409, -409, -409, -409, -409}, +{ -969, -969, -969, -969, -969}, +{ -599, -599, -599, -599, -599}}, +/* @.CU..UG */ +{{ -50, -50, -50, -50, -50}, +{ -859, -859, -859, -859, -859}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -409, -409, -409, -409, -409}}}, +/* @.G@..UG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GA..UG */ +{{ -50, -50, -50, -50, -50}, +{ -769, -769, -769, -769, -769}, +{ -529, -529, -529, -529, -529}, +{ -709, -709, -709, -709, -709}, +{ -599, -599, -599, -599, -599}}, +/* @.GC..UG */ +{{ -50, -50, -50, -50, -50}, +{ -839, -839, -839, -839, -839}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -489, -489, -489, -489, -489}}, +/* @.GG..UG */ +{{ -50, -50, -50, -50, -50}, +{-1009,-1009,-1009,-1009,-1009}, +{ -409, -409, -409, -409, -409}, +{ -969, -969, -969, -969, -969}, +{ -599, -599, -599, -599, -599}}, +/* @.GU..UG */ +{{ -50, -50, -50, -50, -50}, +{ -859, -859, -859, -859, -859}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -409, -409, -409, -409, -409}}}, +/* @.U@..UG */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UA..UG */ +{{ -50, -50, -50, -50, -50}, +{ -769, -769, -769, -769, -769}, +{ -529, -529, -529, -529, -529}, +{ -709, -709, -709, -709, -709}, +{ -599, -599, -599, -599, -599}}, +/* @.UC..UG */ +{{ -50, -50, -50, -50, -50}, +{ -839, -839, -839, -839, -839}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -489, -489, -489, -489, -489}}, +/* @.UG..UG */ +{{ -50, -50, -50, -50, -50}, +{-1009,-1009,-1009,-1009,-1009}, +{ -409, -409, -409, -409, -409}, +{ -969, -969, -969, -969, -969}, +{ -599, -599, -599, -599, -599}}, +/* @.UU..UG */ +{{ -50, -50, -50, -50, -50}, +{ -859, -859, -859, -859, -859}, +{ -529, -529, -529, -529, -529}, +{ -859, -859, -859, -859, -859}, +{ -409, -409, -409, -409, -409}}}}, +/* @.@@..AU */ +{{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@A..AU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.@C..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.@G..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.@U..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.A@..AU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AA..AU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.AC..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.AG..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.AU..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.C@..AU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CA..AU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.CC..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.CG..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.CU..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.G@..AU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GA..AU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.GC..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.GG..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.GU..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}, +/* @.U@..AU */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UA..AU */ +{{ -50, -50, -50, -50, -50}, +{ -479, -479, -479, -479, -479}, +{ -309, -309, -309, -309, -309}, +{ -389, -389, -389, -389, -389}, +{ -379, -379, -379, -379, -379}}, +/* @.UC..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.UG..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}, +/* @.UU..AU */ +{{ -50, -50, -50, -50, -50}, +{ -649, -649, -649, -649, -649}, +{ -289, -289, -289, -289, -289}, +{ -739, -739, -739, -739, -739}, +{ -379, -379, -379, -379, -379}}}}, +/* @.@@..UA */ +{{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@A..UA */ +{{ -50, -50, -50, -50, -50}, +{ -449, -449, -449, -449, -449}, +{ -479, -479, -479, -479, -479}, +{ -429, -429, -429, -429, -429}, +{ -329, -329, -329, -329, -329}}, +/* @.@C..UA */ +{{ -50, -50, -50, -50, -50}, +{ -679, -679, -679, -679, -679}, +{ -559, -559, -559, -559, -559}, +{ -729, -729, -729, -729, -729}, +{ -189, -189, -189, -189, -189}}, +/* @.@G..UA */ +{{ -50, -50, -50, -50, -50}, +{ -939, -939, -939, -939, -939}, +{ -249, -249, -249, -249, -249}, +{ -939, -939, -939, -939, -939}, +{ -329, -329, -329, -329, -329}}, +/* @.@U..UA */ +{{ -50, -50, -50, -50, -50}, +{ -639, -639, -639, -639, -639}, +{ -229, -229, -229, -229, -229}, +{ -729, -729, -729, -729, -729}, +{ -190, -190, -190, -190, -190}}}, +/* @.A@..UA */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AA..UA */ +{{ -50, -50, -50, -50, -50}, +{ -449, -449, -449, -449, -449}, +{ -479, -479, -479, -479, -479}, +{ -429, -429, -429, -429, -429}, +{ -329, -329, -329, -329, -329}}, +/* @.AC..UA */ +{{ -50, -50, -50, -50, -50}, +{ -679, -679, -679, -679, -679}, +{ -559, -559, -559, -559, -559}, +{ -729, -729, -729, -729, -729}, +{ -189, -189, -189, -189, -189}}, +/* @.AG..UA */ +{{ -50, -50, -50, -50, -50}, +{ -939, -939, -939, -939, -939}, +{ -249, -249, -249, -249, -249}, +{ -939, -939, -939, -939, -939}, +{ -329, -329, -329, -329, -329}}, +/* @.AU..UA */ +{{ -50, -50, -50, -50, -50}, +{ -639, -639, -639, -639, -639}, +{ -229, -229, -229, -229, -229}, +{ -729, -729, -729, -729, -729}, +{ -190, -190, -190, -190, -190}}}, +/* @.C@..UA */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CA..UA */ +{{ -50, -50, -50, -50, -50}, +{ -449, -449, -449, -449, -449}, +{ -479, -479, -479, -479, -479}, +{ -429, -429, -429, -429, -429}, +{ -329, -329, -329, -329, -329}}, +/* @.CC..UA */ +{{ -50, -50, -50, -50, -50}, +{ -679, -679, -679, -679, -679}, +{ -559, -559, -559, -559, -559}, +{ -729, -729, -729, -729, -729}, +{ -189, -189, -189, -189, -189}}, +/* @.CG..UA */ +{{ -50, -50, -50, -50, -50}, +{ -939, -939, -939, -939, -939}, +{ -249, -249, -249, -249, -249}, +{ -939, -939, -939, -939, -939}, +{ -329, -329, -329, -329, -329}}, +/* @.CU..UA */ +{{ -50, -50, -50, -50, -50}, +{ -639, -639, -639, -639, -639}, +{ -229, -229, -229, -229, -229}, +{ -729, -729, -729, -729, -729}, +{ -190, -190, -190, -190, -190}}}, +/* @.G@..UA */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GA..UA */ +{{ -50, -50, -50, -50, -50}, +{ -449, -449, -449, -449, -449}, +{ -479, -479, -479, -479, -479}, +{ -429, -429, -429, -429, -429}, +{ -329, -329, -329, -329, -329}}, +/* @.GC..UA */ +{{ -50, -50, -50, -50, -50}, +{ -679, -679, -679, -679, -679}, +{ -559, -559, -559, -559, -559}, +{ -729, -729, -729, -729, -729}, +{ -189, -189, -189, -189, -189}}, +/* @.GG..UA */ +{{ -50, -50, -50, -50, -50}, +{ -939, -939, -939, -939, -939}, +{ -249, -249, -249, -249, -249}, +{ -939, -939, -939, -939, -939}, +{ -329, -329, -329, -329, -329}}, +/* @.GU..UA */ +{{ -50, -50, -50, -50, -50}, +{ -639, -639, -639, -639, -639}, +{ -229, -229, -229, -229, -229}, +{ -729, -729, -729, -729, -729}, +{ -190, -190, -190, -190, -190}}}, +/* @.U@..UA */ +{{{ -50, -50, -50, -50, -50}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UA..UA */ +{{ -50, -50, -50, -50, -50}, +{ -449, -449, -449, -449, -449}, +{ -479, -479, -479, -479, -479}, +{ -429, -429, -429, -429, -429}, +{ -329, -329, -329, -329, -329}}, +/* @.UC..UA */ +{{ -50, -50, -50, -50, -50}, +{ -679, -679, -679, -679, -679}, +{ -559, -559, -559, -559, -559}, +{ -729, -729, -729, -729, -729}, +{ -189, -189, -189, -189, -189}}, +/* @.UG..UA */ +{{ -50, -50, -50, -50, -50}, +{ -939, -939, -939, -939, -939}, +{ -249, -249, -249, -249, -249}, +{ -939, -939, -939, -939, -939}, +{ -329, -329, -329, -329, -329}}, +/* @.UU..UA */ +{{ -50, -50, -50, -50, -50}, +{ -639, -639, -639, -639, -639}, +{ -229, -229, -229, -229, -229}, +{ -729, -729, -729, -729, -729}, +{ -190, -190, -190, -190, -190}}}}, +/* @.@@.. @ */ +{{{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@A.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@C.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@G.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.@U.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}}, +/* @.A@.. @ */ +{{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AA.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AC.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AG.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.AU.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}}, +/* @.C@.. @ */ +{{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CA.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CC.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CG.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.CU.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}}, +/* @.G@.. @ */ +{{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GA.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GC.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GG.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.GU.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}}, +/* @.U@.. @ */ +{{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UA.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UC.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UG.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}, +/* @.UU.. @ */ +{{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}, +{ -100, -100, -100, -100, -100}}}}}}; + +int +energy_param:: +getMaxNinio() +{ return MAX_NINIO; } + +int +energy_param:: +getNinio(int i) +{ return F_ninio37[i]; } + +int +energy_param::getDangle5(int i, int j) +{ return dangle5_37[convertPairType(i)][convertBaseType(j)]; } + +int +energy_param:: +getDangle3(int i, int j) +{ return dangle3_37[convertPairType(i)][convertBaseType(j)]; } + +int +energy_param:: +getHairpin(int i) +{ return hairpin37[i]; } + +int +energy_param:: +getInternalLoop(int i) +{ return internal_loop37[i]; } + +int +energy_param::getBulge(int i) +{ return bulge37[i]; } + +const char +*energy_param:: +getTetraLoop(int i) +{ return Tetrastrings[i]; } + +int +energy_param:: +getTetraLoopEnergy(int i) +{ return TETRA_ENERGY37[i]; } + +int +energy_param:: +getStack(int i, int j) +{ return stack37[convertPairType(i)][convertPairType(j)]; } + +int +energy_param:: +getTstackH(int i, int j) +{ return mismatchH37[convertPairType(i)][convertLeftType(j)][convertRightType(j)]; } + +int +energy_param:: +getTstackI(int i, int j) +{ return mismatchI37[convertPairType(i)][convertLeftType(j)][convertRightType(j)]; } + +int +energy_param:: +getInt11(int i, int j, int k) +{ return int11_37[convertPairType(i)][convertPairType(j)][convertLeftType(k)][convertRightType(k)]; } + +int +energy_param:: +getInt21(int i, int j, int k, int l) +{ return int21_37[convertPairType(i)][convertPairType(j)][convertLeftType(k)][convertBaseType(l)][convertRightType(k)]; } + +int +energy_param:: +getInt22(int i, int j, int k, int l) +{ return int22_37[convertPairType(i)][convertPairType(j)][convertLeftType(k)][convertLeftType(l)][convertRightType(l)][convertRightType(k)]; } + +int +energy_param:: +getMLintern() +{ return ML_intern37; } + +int +energy_param:: +getMLBase() +{ return ML_BASE37; } + +int +energy_param:: +getMLclosing() +{ return ML_closing37; } + +int +energy_param:: +getTerminalAU() +{ return TerminalAU; } + +/* + 1 C<->G 1 + 2 G<->C 2 + 3 G<->U 3 + 5 U<->G 4 + 0 A<->U 5 + 4 U<->A 6 + 6 0 + */ +int +energy_param:: +convertPairType(int type) +{ + if (type == 0) return 5; + else if(type == 1) return 1; + else if(type == 2) return 2; + else if(type == 3) return 3; + else if(type == 4) return 6; + else if(type == 5) return 4; + else if(type == 6) return 0; + else { cerr << "error convertPairType" << endl; exit(1); } +} + +/* + 0 A 1 + 1 C 2 + 2 G 3 + 3 U 4 + */ +int +energy_param:: +convertBaseType(int type) +{ + if (type == 0) return 1; + else if(type == 1) return 2; + else if(type == 2) return 3; + else if(type == 3) return 4; + else { cerr << "error convertBaseType" << endl; exit(1); } +} + +/* + A<->A 0 + A<->C 1 + A<->G 2 + A<->U 3 + C<->A 4 + C<->C 5 + C<->G 6 + C<->U 7 + G<->A 8 + G<->C 9 + G<->G 10 + G<->U 11 + U<->A 12 + U<->C 13 + U<->G 14 + U<->U 15 + */ +int +energy_param:: +convertLeftType(int type) +{ + if (0 <= type && type <= 3 ) { return 1; } + else if(4 <= type && type <= 7 ) { return 2; } + else if(8 <= type && type <= 11) { return 3; } + else if(12<= type && type <= 15) { return 4; } + else { cerr << "convertLeftType" << endl; exit(1); } +} + +int +energy_param:: +convertRightType(int type) +{ + if (type % 4 == 0) { return 1; } + else if(type % 4 == 1) { return 2; } + else if(type % 4 == 2) { return 3; } + else if(type % 4 == 3) { return 4; } + else { cerr << "convertRightType" << endl; exit(1); } +} +} diff --git a/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_param.hpp b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_param.hpp new file mode 100644 index 0000000..b6bcd4c --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/vienna/energy_param.hpp @@ -0,0 +1,111 @@ +/* + Current free energy parameters are summarized in: + + D.H.Mathews, J. Sabina, M. ZUker, D.H. Turner + "Expanded sequence dependence of thermodynamic parameters improves + prediction of RNA secondary structure" + JMB, 288, pp 911-940, 1999 + + Enthalpies taken from: + + A. Walter, D Turner, J Kim, M Lyttle, P M"uller, D Mathews, M Zuker + "Coaxial stckaing of helices enhances binding of oligoribonucleotides.." + PNAS, 91, pp 9218-9222, 1994 + + D.H. Turner, N. Sugimoto, and S.M. Freier. + "RNA Structure Prediction", + Ann. Rev. Biophys. Biophys. Chem. 17, 167-192, 1988. + + John A.Jaeger, Douglas H.Turner, and Michael Zuker. + "Improved predictions of secondary structures for RNA", + PNAS, 86, 7706-7710, October 1989. + + L. He, R. Kierzek, J. SantaLucia, A.E. Walter, D.H. Turner + "Nearest-Neughbor Parameters for GU Mismatches...." + Biochemistry 1991, 30 11124-11132 + + A.E. Peritz, R. Kierzek, N, Sugimoto, D.H. Turner + "Thermodynamic Study of Internal Loops in Oligoribonucleotides..." + Biochemistry 1991, 30, 6428--6435 + + +*/ + +#ifndef ENERGY_PARAM_H +#define ENERGY_PARAM_H + +#include +#include // by katoh + +using namespace std; +namespace MXSCARNA { +class energy_param { + + static const int INF; + static const int NST; + static const int DEF; + + static const double lxc37; /* parameter for logarithmic loop + energy extrapolation */ + static const int stack37[8][8]; + static const int enthalpies[8][8]; + static const int oldhairpin37[31]; + static const int hairpin37[31]; + static const int oldbulge37[31]; + static const int bulge37[31]; + static const int oldinternal_loop37[31]; + static const int internal_loop37[31]; + static const int mismatchI37[8][5][5]; + static const int mismatchH37[8][5][5]; + static const int mism_H[8][5][5]; + static const int dangle5_37[8][5]; + static const int dangle3_37[8][5]; + static const int dangle3_H[8][5]; + static const int dangle5_H[8][5]; + static const int ML_BASE37; + static const int ML_closing37; + static const int ML_intern37; + static const int MAX_NINIO; + static const int F_ninio37[5]; + static const char Tetraloops[1400]; + static const char Tetrastrings[30][7]; + static const int TETRA_ENERGY37[200]; + static const int TETRA_ENTH37; + static const int TerminalAU; + static const int DuplexInit; + + static const int int11_37[8][8][5][5]; + static const int int11_H[8][8][5][5]; + static const int int21_37[8][8][5][5][5]; + static const int int21_H[8][8][5][5][5]; + static const int int22_37[8][8][5][5][5][5]; + static const int int22_H[8][8][5][5][5][5]; + + int convertPairType(int type); + int convertBaseType(int type); + int convertLeftType(int type); + int convertRightType(int type); + + public: + int getMaxNinio(); + int getNinio(int i); + int getDangle5(int i, int j); + int getDangle3(int i, int j); + int getHairpin(int i); + int getInternalLoop(int i); + int getBulge(int i); + const char *getTetraLoop(int i); + int getTetraLoopEnergy(int i); + int getStack(int i, int j); + int getTstackH(int i, int j); + int getTstackI(int i, int j); + int getInt11(int i, int j, int k); + int getInt21(int i, int j, int k, int l); + int getInt22(int i, int j, int k, int l); + int getMLintern(); + int getMLBase(); + int getMLclosing(); + int getTerminalAU(); +}; +} +#endif diff --git a/binaries/src/mafft/extensions/mxscarna_src/vienna/params.h b/binaries/src/mafft/extensions/mxscarna_src/vienna/params.h new file mode 100644 index 0000000..46d6122 --- /dev/null +++ b/binaries/src/mafft/extensions/mxscarna_src/vienna/params.h @@ -0,0 +1,32 @@ +#include "energy_const.h" +typedef struct { + int id; + int stack[NBPAIRS+1][NBPAIRS+1]; + int hairpin[31]; + int bulge[MAXLOOP+1]; + int internal_loop[MAXLOOP+1]; + int mismatchI[NBPAIRS+1][5][5]; + int mismatchH[NBPAIRS+1][5][5]; + int mismatchM[NBPAIRS+1][5][5]; + int dangle5[NBPAIRS+1][5]; + int dangle3[NBPAIRS+1][5]; + int int11[NBPAIRS+1][NBPAIRS+1][5][5]; + int int21[NBPAIRS+1][NBPAIRS+1][5][5][5]; + int int22[NBPAIRS+1][NBPAIRS+1][5][5][5][5]; + int F_ninio[5]; + double lxc; + int MLbase; + int MLintern[NBPAIRS+1]; + int MLclosing; + int TerminalAU; + int DuplexInit; + int TETRA_ENERGY[200]; + char Tetraloops[1401]; + int Triloop_E[40]; + char Triloops[241]; + double temperature; +} paramT; + +extern paramT *scale_parameters(void); +extern paramT *copy_parameters(void); +extern paramT *set_parameters(paramT *dest); diff --git a/binaries/src/mafft/extensions/univscript.tmpl b/binaries/src/mafft/extensions/univscript.tmpl new file mode 100644 index 0000000..d6200d2 --- /dev/null +++ b/binaries/src/mafft/extensions/univscript.tmpl @@ -0,0 +1,36 @@ +progs="_PROGS" +for prog in $progs; do + printf $prog" " +done + + +make clean +make CC="gcc-4.0" CFLAGS="-arch ppc64 -m64 -O3 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" CXX="g++-4.0" CXXFLAGS="-arch ppc64 -m64 -O3 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" +for prog in $progs; do + mv $prog $prog.ppc64 +done + +make clean +make CC="gcc-4.0" CFLAGS="-arch ppc -m32 -O3 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" CXX="g++-4.0" CXXFLAGS="-arch ppc -m32 -O3 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" +for prog in $progs; do + mv $prog $prog.ppc32 +done + +make clean +make CC="gcc-4.0" CFLAGS="-arch x86_64 -fast -m64 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" CXX="g++-4.0" CXXFLAGS="-arch x86_64 -fast -m64 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" +for prog in $progs; do + mv $prog $prog.intel64 +done + +make clean +make CC="gcc-4.0" CFLAGS="-arch i386 -fast -m32 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" CXX="g++-4.0" CXXFLAGS="-arch i386 -fast -m32 -mmacosx-version-min=10.4 -isysroot/Developer/SDKs/MacOSX10.4u.sdk -DMACOSX_DEPLOYMENT_TARGET=10.4" +for prog in $progs; do + mv $prog $prog.intel32 +done + +set $progs +for prog in $progs; do +# lipo -create $prog.icc $prog.ppc32 $prog.ppc64 -output $prog + lipo -create $prog.intel64 $prog.intel32 $prog.ppc32 $prog.ppc64 -output $prog + cp $prog ../binaries +done diff --git a/binaries/src/mafft/license b/binaries/src/mafft/license new file mode 100644 index 0000000..6d25e27 --- /dev/null +++ b/binaries/src/mafft/license @@ -0,0 +1,48 @@ +============================================================ + +If you have the './extensions' directory, please also see +license.extensions file. + +============================================================ + +The codes in the './core' directory is distributed with +the BSD license. + +MAFFT: multiple sequence alignment program +Copyright (c) 2009 Kazutaka Katoh + +Redistribution and use in source and binary forms, +with or without modification, are permitted provided +that the following conditions are met: + +Redistributions of source code must retain the +above copyright notice, this list of conditions +and the following disclaimer. Redistributions in +binary form must reproduce the above copyright +notice, this list of conditions and the following +disclaimer in the documentation and/or other +materials provided with the distribution. + +The name of the author may not be used to endorse +or promote products derived from this software without +specific prior written permission. + +THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" +AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, +BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF +MERCHANTABILITY AND FITNESS FOR A PARTICULAR +PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE +AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, +INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL +DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT +OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, +OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED +AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, +STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR +OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF +THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY +OF SUCH DAMAGE. +--------------------------------------------------------------------------------- + + + diff --git a/binaries/src/mafft/license.extensions b/binaries/src/mafft/license.extensions new file mode 100644 index 0000000..9e14bea --- /dev/null +++ b/binaries/src/mafft/license.extensions @@ -0,0 +1,120 @@ +The 'extension' directory contains codes from + +(1) the Vienna RNA package +(2) MXSCARNA +(3) ProbConsRNA + +These packages are distributed under different licenses: + +------------------------------------------------------------------------------- +(1) The Vienna RNA package + +See ./extensions/mxscarna_src/vienna/COPYING and http://www.tbi.univie.ac.at/~ivo/RNA/ + + Disclaimer and Copyright + +The programs, library and source code of the Vienna RNA Package are free +software. They are distributed in the hope that they will be useful +but WITHOUT ANY WARRANTY; without even the implied warranty of +MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. + +Permission is granted for research, educational, and commercial use +and modification so long as 1) the package and any derived works are not +redistributed for any fee, other than media costs, 2) proper credit is +given to the authors and the Institute for Theoretical Chemistry of the +University of Vienna. + +If you want to include this software in a commercial product, please contact +the authors. + +Reference: + Ivo L Hofacker and Martin Fekete and Peter F Stadler + Secondary structure prediction for aligned RNA sequences. + J Mol Biol. 2002 vol. 319 (18) pp.3724-32 + +------------------------------------------------------------------------------- +(2) MXSCARNA + +See ./extensions/mxscarna_src/README and http://www.ncrna.org/software/mxscarna/ + +* Author + Yasuo Tabei + + Department of Computational Biology, + Graduate School of Frontier Science, + The University of Tokyo + and + Computational Biology Research Center (CBRC), + National Institute of Advanced Industrial Science and Technology (AIST) + + E-mail: scarna AT m.aist.go.jp + +* What is MXSCARNA + MXSCARNA (Multiplex Stem Candidate Aligner for RNAs) is a tool for + fast structural multiple alignment of RNA sequences using progressive + alignment based on pairwise structural alignment algorithm of SCARNA. + +* License + While its original source code is provided as free software, MXSCARNA + contains the source codes of ProbCons and Rfold and the energy parameters + of Vienna RNA package (version 1.5). + The author thanks Dr. Chuong Do, Dr. Hisanori Kiryu and Dr. Ivo Hofacker, + the authors of ProbCons, Rfold and Vienna RNA package respectively, + and Institute for Theoretical Chemistry of the University of Vienna. + + The source code of Rfold is located in ./extensions/mxscarna_src/rfold-0.1, which includes + energy parameters of Vienna RNA package in ./extensions/mxscarna_src/rfold-0.1/src/vienna. + Energy parameters of Vienna RNA package are also included in the source + code of MXSCARNA (./extensions/mxscarna_src/vienna). Please follow ./extensions/mxscarna_src/rfold-0.1/readme.txt + file, which describes the license of Rfold, and + ./extensions/mxscarna_src/rfold-0.1/src/vienna/COPYING file and ./extensions/mxscarna_src/vienna/COPYING file, + which describe the copyright notice of the Vienna RNA package. + The source code of ProbCons is located in ./extensions/mxscarna_src/probconsRNA. Please follow + ./extensions/mxscarna_src/probcons/README. + + The original part of MXSCARNA is provided as free software. It is + distributed in the hope that it will be useful but WITHOUT ANY WARRANTY; + without even the implied warranty of MERCHANTABILITY or FITNESS FOR A + PARTICULAR PURPOSE. + + Permission is granted for research, educational, and commercial use + and modification so long as + 1) the package and any derived works are not redistributed for any fee, + other than media costs, + 2) proper credit is given to + the authors of MXSCARNA, ProbCons, Rfold and Vienna RNA package, + the Univeristy of Tokyo, + Computational Biology Research Center (CBRC), AIST + and Institute for Theoretical Chemistry of the University of Vienna. + + If you want to include this software in a commercial product, please + contact the author. + +* Citation + Yasuo Tabei, Hisanori Kiryu, Taishin Kin, Kiyoshi Asai + A fast structural multiple alignment method for long RNA sequences. + BMC bioinformatics 9:33 (2008) + +--------------------------------------------------------------------------------- +(3) ProbCons + +See ./extensions/mxscarna_src/probconsRNA/README and http://probcons.stanford.edu/ + +* Author + Chuong Do + +* License +PROBCONS has been made freely available as PUBLIC DOMAIN +software and hence is not subject to copyright in the United +States. This system and/or any portion of the source code +may be used, modified, or redistributed without restrictions. +PROBCONS is distributed WITHOUT WARRANTY, express or implied. +The authors accept NO LEGAL LIABILITY OR RESPONSIBILITY for +loss due to reliance on the program. + +* Citation +Do CB, Mahabhashyam MS, Brudno M, Batzoglou S. +ProbCons: Probabilistic consistency-based multiple sequence alignment. +Genome Res. 2005 15:330-40. + +------------------------------------------------------------------------------- diff --git a/binaries/src/mafft/readme b/binaries/src/mafft/readme new file mode 100644 index 0000000..fd5ef6e --- /dev/null +++ b/binaries/src/mafft/readme @@ -0,0 +1,139 @@ +----------------------------------------------------------------------- + MAFFT: a multiple sequence alignment program + version 6.857beta, 2011/05/30 + + http://mafft.cbrc.jp/alignment/software/ + kazutaka.katoh@aist.go.jp +----------------------------------------------------------------------- + +1. COMPILE + % cd core + % make clean + % make + % cd .. + + To enable multithreading (linux only), + % cd core + Uncomment line 8 of Makefile, + ENABLE_MULTITHREAD = -Denablemultithread + % make clean + % make + % cd .. + + If you have the './extensions' directory, which is for RNA alignments, + % cd extensions + % make clean + % make + % cd .. + + +2. INSTALL (select 2a or 2b []) +2a. Install as root + # cd core + # make install + # cd .. + + If you have the './extensions' directory, + # cd extensions + # make install + # cd .. + + By this procedure (2a), programs are installed into + /usr/local/bin/. Some binaries, which are not directly + used by a user, are installed into /usr/local/libexec/mafft/. + + If the MAFFT_BINARIES environment variable is set to /somewhare/else/, + the binaries in the /somewhere/else/ directory are used, instead + of those in /usr/local/libexec/mafft/. + +2b. Install without being root + % cd core/ + Edit the first line of Makefile + From: + PREFIX = ${PKGDIR}/usr/local + To: + PREFIX = /home/your_home/somewhere + + Edit the third line of Makefile + From: + BINDIR = $(PREFIX)/bin + To: + BINDIR = /home/your_home/bin + (or elsewhere in your command-search path) + % make clean + % make + % make install + + If you have the './extensions' directory, + % cd ../extensions/ + Edit the first line of Makefile + From: + PREFIX = ${PKGDIR}/usr/local + To: + PREFIX = /home/your_home/somewhere + % make clean + % make + % make install + + The MAFFT_BINARIES environment variable *must not be* set. + + If the MAFFT_BINARIES environment variable is set to /somewhare/else/, + it overrides the setting of PREFIX (/home/your_home/somewhere/ in the + above example) in Makefile. + +3. CHECK + % cd test + % rehash # if necessary + % mafft sample > test.fftns2 # FFT-NS-2 + % mafft --maxiterate 100 sample > test.fftnsi # FFT-NS-i + % mafft --globalpair sample > test.gins1 # G-INS-1 + % mafft --globalpair --maxiterate 100 sample > test.ginsi # G-INS-i + % mafft --localpair sample > test.lins1 # L-INS-1 + % mafft --localpair --maxiterate 100 sample > test.linsi # L-INS-i + % diff test.fftns2 sample.fftns2 + % diff test.fftnsi sample.fftnsi + % diff test.gins1 sample.gins1 + % diff test.ginsi sample.ginsi + % diff test.lins1 sample.lins1 + + If you have the './extensions' directory, + % mafft-qinsi samplerna > test.qinsi # Q-INS-i + % mafft-xinsi samplerna > test.xinsi # X-INS-i + % diff test.qinsi samplerna.qinsi + % diff test.xinsi samplerna.xinsi + + If you use the multithread version, the results of iterative refinement + methods (*-*-i) are not always identical. Try this test with the single- + thread mode (--thread 0). + + +4. INPUT FORMAT + fasta format. + + The type of input sequences (nucleotide or amino acid) is + automatically recognized based on the frequency of A, T, G, C, U and N. + + +5. USAGE + % /usr/local/bin/mafft input > output + +See also http://mafft.cbrc.jp/alignment/software/ + + +6. UNINSTALL + # rm -r /usr/local/libexec/mafft + # rm /usr/local/bin/mafft + # rm /usr/local/bin/fftns + # rm /usr/local/bin/fftnsi + # rm /usr/local/bin/nwns + # rm /usr/local/bin/nwnsi + # rm /usr/local/bin/linsi + # rm /usr/local/bin/ginsi + # rm /usr/local/bin/mafft-* + # rm /usr/local/share/man/man1/mafft* + + +7. LICENSE + See the './license' file. + + If you have the extensions, see also the './license.extensions' file, diff --git a/binaries/src/mafft/test/sample b/binaries/src/mafft/test/sample new file mode 100644 index 0000000..e323c25 --- /dev/null +++ b/binaries/src/mafft/test/sample @@ -0,0 +1,285 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +MNGTEGDNFYVPFSNKTGLARSPYEYPQYYLAEPWKYSALAAYMFFLILVGFPVNFLTLF +VTVQHKKLRTPLNYILLNLAMANLFMVLFGFTVTMYTSMNGYFVFGPTMCSIEGFFATLG +GEVALWSLVVLAIERYIVICKPMGNFRFGNTHAIMGVAFTWIMALACAAPPLVGWSRYIP +EGMQCSCGPDYYTLNPNFNNESYVVYMFVVHFLVPFVIIFFCYGRLLCTVKEAAAAQQES +ASTQKAEKEVTRMVVLMVIGFLVCWVPYASVAFYIFTHQGSDFGATFMTLPAFFAKSSAL +YNPVIYILMNKQFRNCMITTLCCGKNPLGDDESGASTSKTEVSSVSTSPVSPA +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +MNGTEGPNFYVPFSNITGVVRSPFEQPQYYLAEPWQFSMLAAYMFLLIVLGFPINFLTLY +VTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLG +GEIGLWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIP +EGMQCSCGIDYYTLKPEVNNESFVIYMFVVHFTIPMIVIFFCYGQLVFTVKEAAAQQQES +ATTQKAEKEVTRMVIIMVIFFLICWLPYASVAMYIFTHQGSNFGPIFMTLPAFFAKTASI +YNPIIYIMMNKQFRNCMLTSLCCGKNPLGDDEASATASKTETSQVAPA +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +MNGTEGINFYVPMSNKTGVVRSPFEYPQYYLAEPWKYRLVCCYIFFLISTGLPINLLTLL +VTFKHKKLRQPLNYILVNLAVADLFMACFGFTVTFYTAWNGYFVFGPVGCAVEGFFATLG +GQVALWSLVVLAIERYIVVCKPMGNFRFSATHAMMGIAFTWVMAFSCAAPPLFGWSRYMP +EGMQCSCGPDYYTHNPDYHNESYVLYMFVIHFIIPVVVIFFSYGRLICKVREAAAQQQES +ATTQKAEKEVTRMVILMVLGFMLAWTPYAVVAFWIFTNKGADFTATLMAVPAFFSKSSSL +YNPIIYVLMNKQFRNCMITTICCGKNPFGDEDVSSTVSQSKTEVSSVSSSQVSPA +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +MNGTEGKNFYVPMSNRTGLVRSPFEYPQYYLAEPWQFKILALYLFFLMSMGLPINGLTLV +VTAQHKKLRQPLNFILVNLAVAGTIMVCFGFTVTFYTAINGYFVLGPTGCAVEGFMATLG +GEVALWSLVVLAIERYIVVCKPMGSFKFSSSHAFAGIAFTWVMALACAAPPLFGWSRYIP +EGMQCSCGPDYYTLNPDYNNESYVIYMFVCHFILPVAVIFFTYGRLVCTVKAAAAQQQDS +ASTQKAEREVTKMVILMVFGFLIAWTPYATVAAWIFFNKGADFSAKFMAIPAFFSKSSAL +YNPVIYVLLNKQFRNCMLTTIFCGKNPLGDDESSTVSTSKTEVSSVSPA +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +MNGTEGNNFYVPLSNRTGLVRSPFEYPQYYLAEPWQFKLLAVYMFFLICLGLPINGLTLI +CTAQHKKLRQPLNFILVNLAVAGAIMVCFGFTVTFYTAINGYFALGPTGCAVEGFMATLG +GEVALWSLVVLAIERYIVVCKPMGSFKFSSTHASAGIAFTWVMAMACAAPPLVGWSRYIP +EGIQCSCGPDYYTLNPEYNNESYVLYMFICHFILPVTIIFFTYGRLVCTVKAAAAQQQDS +ASTQKAEREVTKMVILMVLGFLVAWTPYATVAAWIFFNKGAAFSAQFMAIPAFFSKTSAL +YNPVIYVLLNKQFRSCMLTTLFCGKNPLGDEESSTVSTSKTEVSSVSPA +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +MKQVPEFHEDFYIPIPLDINNLSAYSPFLVPQDHLGNQGIFMAMSVFMFFIFIGGASINI +LTILCTIQFKKLRSHLNYILVNLSIANLFVAIFGSPLSFYSFFNRYFIFGATACKIEGFL +ATLGGMVGLWSLAVVAFERWLVICKPLGNFTFKTPHAIAGCILPWISALAASLPPLFGWS +RYIPEGLQCSCGPDWYTTNNKYNNESYVMFLFCFCFAVPFGTIVFCYGQLLITLKLAAKA +QADSASTQKAEREVTKMVVVMVLGFLVCWAPYASFSLWIVSHRGEEFDLRMATIPSCLSK +ASTVYNPVIYVLMNKQFRSCMMKMVCGKNIEEDEASTSSQVTQVSSVAPEK +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +MRKMSEEEFYLFKNISSVGPWDGPQYHIAPVWAFYLQAAFMGTVFLIGFPLNAMVLVATL +RYKKLRQPLNYILVNVSFGGFLLCIFSVFPVFVASCNGYFVFGRHVCALEGFLGTVAGLV +TGWSLAFLAFERYIVICKPFGNFRFSSKHALTVVLATWTIGIGVSIPPFFGWSRFIPEGL +QCSCGPDWYTVGTKYRSESYTWFLFIFCFIVPLSLICFSYTQLLRALKAVAAQQQESATT +QKAEREVSRMVVVMVGSFCVCYVPYAAFAMYMVNNRNHGLDLRLVTIPSFFSKSACIYNP +IIYCFMNKQFQACIMKMVCGKAMTDESDTCSSQKTEVSTVSSTQVGPN +> 8=opsin, greensensitive human (fragment) S07060 +DLAETVIASTISIVNQVSGYFVLGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKP +FGNVRFDAKLAIVGIAFSWIWAAVWTAPPIFGWSRYWPHGLKTSCGPDVFSGSSYPGVQS +YMIVLMVTCCITPLSIIVLCYLQVWLAIRAVAKQQKESESTQKAEKEVTRMVVVMVLAFC +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +MAQQWSLQRLAGRHPQDSYEDSTQSSIFTYTNSNSTRGPFEGPNYHIAPRWVYHLTSVWM +IFVVIASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIASTISVVNQVYGYFV +LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGNVRFDAKLAIVGIAFSWIWA +AVWTAPPIFGWSRYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCITPLSIIVLCYL +QVWLAIRAVAKQQKESESTQKAEKEVTRMVVVMVLAFCFCWGPYAFFACFAAANPGYPFH +PLMAALPAFFAKSATIYNPVIYVFMNRQFRNCILQLFGKKVDDGSELSSASKTEVSSVSS +VSPA +> 10== Z68193 1 human Red Opsin <>[] +MAQQWSLQRLAGRHPQDSYEDSTQSSIFTYTNSNSTRGPFEGPNYHIAPRWVYHLTSVWM +IFVVTASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIASTISIVNQVSGYFV +LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGNVRFDAKLAIVGIAFSWIWS +AVWTAPPIFGWSRYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCIIPLAIIMLCYL +QVWLAIRAVAKQQKESESTQKAEKEVTRMVVVMIFAYCVCWGPYTFFACFAAANPGYAFH +PLMAALPAYFAKSATIYNPVIYVFMNRQFRNCILQLFGKKVDDGSELSSASKTEVSSVSS +VSPA +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +MTEAWNVAVFAARRSRDDDDTTRGSVFTYTNTNNTRGPFEGPNYHIAPRWVYNLVSFFMI +IVVIASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLVASTISVFNQIFGYFIL +GHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGNIKFDSKLAIIGIVFSWVWAW +GWSAPPIFGWSRYWPHGLKTSCGPDVFSGSVELGCQSFMLTLMITCCFLPLFIIIVCYLQ +VWMAIRAVAAQQKESESTQKAEREVSRMVVVMIVAFCICWGPYASFVSFAAANPGYAFHP +LAAALPAYFAKSATIYNPVIYVFMNRQFRNCIMQLFGKKVDDGSEASTTSRTEVSSVSNS +SVAPA +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +MAAWEAAFAARRRHEEEDTTRDSVFTYTNSNNTRGPFEGPNYHIAPRWVYNLTSVWMIFV +VAASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVIASTISVINQISGYFILGH +PMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGNIKFDGKLAVAGILFSWLWSCAW +TAPPIFGWSRYWPHGLKTSCGPDVFSGSSDPGVQSYMVVLMVTCCFFPLAIIILCYLQVW +LAIRAVAAQQKESESTQKAEKEVSRMVVVMIVAYCFCWGPYTFFACFAAANPGYAFHPLA +AALPAYFAKSATIYNPIIYVFMNRQFRNCILQLFGKKVDDGSEVSTSRTEVSSVSNSSVS +PA +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +MSSNSSQAPPNGTPGPFDGPQWPYQAPQSTYVGVAVLMGTVVACASVVNGLVIVVSICYK +KLRSPLNYILVNLAVADLLVTLCGSSVSLSNNINGFFVFGRRMCELEGFMVSLTGIVGLW +SLAILALERYVVVCKPLGDFQFQRRHAVSGCAFTWGWALLWSAPPLLGWSSYVPEGLRTS +CGPNWYTGGSNNNSYILSLFVTCFVLPLSLILFSYTNLLLTLRAAAAQQKEADTTQRAER +EVTRMVIVMVMAFLLCWLPYSTFALVVATHKGIIIQPVLASLPSYFSKTATVYNPIIYVF +MNKQFQSCLLEMLCCGYQPQRTGKASPGTPGPHADVTAAGLRNKVMPAHPV +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +MESGNVSSSLFGNVSTALRPEARLSAETRLLGWNVPPEELRHIPEHWLTYPEPPESMNYL +LGTLYIFFTLMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVKTPIFIYNSFH +QGYALGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEGKMTHGKAIAMIIFIY +MYATPWVVACYTETWGRFVPEGYLTSCTFDYLTDNFDTRLFVACIFFFSFVCPTTMITYY +YSQIVGHVFSHEKALRDQAKKMNVESLRSNVDKNKETAEIRIAKAAITICFLFFCSWTPY +GVMSLIGAFGDKTLLTPGATMIPACACKMVACIDPFVYAISHPRYRMELQKRCPWLALNE +KAPESSAVASTSTTQEPQQTTAA +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +MEYHNVSSVLGNVSSVLRPDARLSAESRLLGWNVPPDELRHIPEHWLIYPEPPESMNYLL +GTLYIFFTVISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIKTPIFIYNSFHQ +GYALGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEGKMTHGKAIAMIIFIYL +YATPWVVACYTESWGRFVPEGYLTSCTFDYLTDNFDTRLFVACIFFFSFVCPTTMITYYY +SQIVGHVFSHEKALRDQAKKMNVDSLRSNVDKSKEAAEIRIAKAAITICFLFFASWTPYG +VMSLIGAFGDKTLLTPGATMIPACTCKMVACIDPFVYAISHPRYRMELQKRCPWLAISEK +APESRAAISTSTTQEQQQTTAA +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +MEPLCNASEPPLRPEARSSGNGDLQFLGWNVPPDQIQYIPEHWLTQLEPPASMHYMLGVF +YIFLFCASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLKAPIFNSFHRGFAIY +LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNRNMTFTKAVIMNIIIWLYCT +PWVVLPLTQFWDRFVPEGYLTSCSFDYLSDNFDTRLFVGTIFFFSFVCPTLMILYYYSQI +VGHVFSHEKALREQAKKMNVESLRSNVDKSKETAEIRIAKAAITICFLFFVSWTPYGVMS +LIGAFGDKSLLTQGATMIPACTCKLVACIDPFVYAISHPRYRLELQKRCPWLGVNEKSGE +ISSAQSTTTQEQQQTTAA +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +MDALCNASEPPLRPEARMSSGSDELQFLGWNVPPDQIQYIPEHWLTQLEPPASMHYMLGV +FYIFLFFASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLKAPIFIYNSFHRGF +ALGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNRNMTFTKAVIMNIIIWLYC +TPWVVLPLTQFWDRFVPEGYLTSCSFDYLSDNFDTRLFVGTIFLFSFVVPTLMILYYYSQ +IVGHVFNHEKALREQAKKMNVESLRSNVDKSKETAEIRIAKAAITICFLFFVSWTPYGVM +SLIGAFGDKSLLTPGATMIPACTCKLVACIEPFVYAISHPRYRMELQKRCPWLGVNEKSG +EASSAQSTTTQEQTQQTSAA +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +MTNATGPQMAYYGAASMDFGYPEGVSIVDFVRPEIKPYVHQHWYNYPPVNPMWHYLLGVI +YLFLGTVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTTNVPFFTYNCFSGGV +WMFSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNGPKLTTGKAVVFALISWV +IAIGCALPPFFGWGNYILEGILDSCSYDYLTQDFNTFSYNIFIFVFDYFLPAAIIVFSYV +FIVKAIFAHEAAMRAQAKKMNVSTLRSNEADAQRAEIRIAKTALVNVSLWFICWTPYALI +SLKGVMGDTSGITPLVSTLPALLAKSCSCYNPFVYAISHPKYRLAITQHLPWFCVHETET +KSNDDSQSNSTVAQDKA +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +MANVTGPQMAFYGSGAATFGYPEGMTVADFVPDRVKHMVLDHWYNYPPVNPMWHYLLGVV +YLFLGVISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTTNFPPFCYNCFSGGR +WMFSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNGPKLTQGKATFMCGLAWV +ISVGWSLPPFFGWGSYTLEGILDSCSYDYFTRDMNTITYNICIFIFDFFLPASVIVFSYV +FIVKAIFAHEAAMRAQAKKMNVTNLRSNEAETQRAEIRIAKTALVNVSLWFICWTPYAAI +TIQGLLGNAEGITPLLTTLPALLAKSCSCYNPFVYAISHPKFRLAITQHLPWFCVHEKDP +NDVEENQSSNTQTQEKS +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +MESFAVAAAQLGPHFAPLSNGSVVDKVTPDMAHLISPYWNQFPAMDPIWAKILTAYMIMI +GMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITNTPMMGINLYFETWVLGP +MMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGRPMTIPLALGKMYVPEGNLTSC +GIDYLERDWNPRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKKMNVKSL +RSSEDAEKSAEGKLAKVALVTITLWFMAWTPYLVINCMGLFKFEGLTPLNTIWGACFAKS +AACYNPIVYGISHPKYRLALKEKCPCCVFGKVDDGKSSDAQSQATASEAESKA +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +MESFAVAAAQLGPHFAPLSNGSVVDKVTPDMAHLISPYWNQFPAMDPIWAKILTAYMIMI +GMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITNTPMMGINLYFETWVLGP +MMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGRPMTIPLALGKIAYIWFMSSIW +CLAPAFGWSRYVPEGNLTSCGIDYLERDWNPRSYLIFYSIFVYYIPLFLICYSYWFIIAA +VSAHEKAMREQAKKMNVKSLRSSEDAEKSAEGKLAKVALVTITLWFMAWTPYLVINCMGL +FKFEGLTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVFGKVDDGKSSDA +QSQATASEAESKA +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +MDSFAAVATQLGPQFAAPSNGSVVDKVTPDMAHLISPYWDQFPAMDPIWAKILTAYMIII +GMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITNTPMMGINLYFETWVLGP +MMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGRPMTIPLALGKIAYIWFMSTIW +CCLAPVFGWSRYVPEGNLTSCGIDYLERDWNPRSYLIFYSIFVYYIPLFLICYSYWFIIA +AVSAHEKAMREQAKKMNVKSLRSSEDADKSAEGKLAKVALVTISLWFMAWTPYLVINCMG +LFKFEGLTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVFGKVDDGKSSE +AQSQATTSEAESKA +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +MERSHLPETPFDLAHSGPRFQAQSSGNGSVLDNVLPDMAHLVNPYWSRFAPMDPMMSKIL +GLFTLAIMIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQSPVMIINFYY +ETWVLGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGINGTPMTIKTSIMKILFI +WMMAVFWTVMPLIGWSAYVPEGNLTACSIDYMTRMWNPRSYLITYSLFVYYTPLFLICYS +YWFIIAAVAAHEKAMREQAKKMNVKSLRSSEDCDKSAEGKLAKVALTTISLWFMAWTPYL +VICYFGLFKIDGLTPLTTIWGATFAKTSAVYNPIVYGISHPKYRIVLKEKCPMCVFGNTD +EPKPDAPASDTETTSEADSKA +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +MERSLLPEPPLAMALLGPRFEAQTGGNRSVLDNVLPDMAPLVNPHWSRFAPMDPTMSKIL +GLFTLVILIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQSPVMIINFYY +ETWVLGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGINGTPMTIKTSIMKIAFI +WMMAVFWTIMPLIGWSSYVPEGNLTACSIDYMTRQWNPRSYLITYSLFVYYTPLFMICYS +YWFIIATVAAHEKAMRDQAKKMNVKSLRSSEDCDKSAENKLAKVALTTISLWFMAWTPYL +IICYFGLFKIDGLTPLTTIWGATFAKTSAVYNPIVYGISHPNDRLVLKEKCPMCVCGTTD +EPKPDAPPSDTETTSEAESKD +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +MIAVSGPSYEAFSYGGQARFNNQTVVDKVPPDMLHLIDANWYQYPPLNPMWHGILGFVIG +MLGFVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFCMSPPMVINCYYETWVL +GPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSGKPLSINGALIRIIAIWLFSL +GWTIAPMFGWNRYVPEGNMTACGTDYFNRGLLSASYLVCYGIWVYFVPLFLIIYSYWFII +QAVAAHEKNMREQAKKMNVASLRSSENQNTSAECKLAKVALMTISLWFMAWTPYLVINFS +GIFNLVKISPLFTIWGSLFAKANAVYNPIVYGISHPKYRAALFAKFPSLACAAEPSSDAV +STTSGTTTVTDNEKSNA +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +MANQLSYSSLGWPYQPNASVVDTMPKEMLYMIHEHWYAFPPMNPLWYSILGVAMIILGII +CVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAFMMPTMTSNCFAETWILGPFMC +EVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAAAPLTHKKATLLLLFVWIWSGGWTIL +PFFGWSRYVPEGNLTSCTVDYLTKDWSSASYVVIYGLAVYFLPLITMIYCYFFIVHAVAE +HEKQLREQAKKMNVASLRANADQQKQSAECRLAKVAMMTVGLWFMAWTPYLIISWAGVFS +SGTRLTPLATIWGSVFAKANSCYNPIVYGISHPRYKAALYQRFPSLACGSGESGSDVKSE +ASATTTMEEKPKIPEA +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +MVESTTLVNQTWWYNPTVDIHPHWAKFDPIPDAVYYSVGIFIGVVGIIGILGNGVVIYLF +SKTKSLQTPANMFIINLAMSDLSFSAINGFPLKTISAFMKKWIFGKVACQLYGLLGGIFG +FMSINTMAMISIDRYNVIGRPMAASKKMSHRRAFLMIIFVWMWSIVWSVGPVFNWGAYVP +EGILTSCSFDYLSTDPSTRSFILCMYFCGFMLPIIIIAFCYFNIVMSVSNHEKEMAAMAK +RLNAKELRKAQAGASAEMKLAKISMVIITQFMLSWSPYAIIALLAQFGPAEWVTPYAAEL +PVLFAKASAIHNPIVYSVSHPKFREAIQTTFPWLLTCCQFDEKECEDANDAEEEVVASER +GGESRDAAQMKEMMAMMQKMQAQQAAYQPPPPPQGYPPQGYPPQGAYPPPQGYPPQGYPP +QGYPPQGYPPQGAPPQVEAPQGAPPQGVDNQAYQA +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +MGRDLRDNETWWYNPSIVVHPHWREFDQVPDAVYYSLGIFIGICGIIGCGGNGIVIYLFT +KTKSLQTPANMFIINLAFSDFTFSLVNGFPLMTISCFLKKWIFGFAACKVYGFIGGIFGF +MSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMIIFVWLWSVLWAIGPIFGWGAYTLE +GVLCNCSFDYISRDSTTRSNILCMFILGFFGPILIIFFCYFNIVMSVSNHEKEMAAMAKR +LNAKELRKAQAGANAEMRLAKISIVIVSQFLLSWSPYAVVALLAQFGPLEWVTPYAAQLP +VMFAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETEDDKDAETEIPAGESS +DAAPSADAAQMKEMMAMMQKMQQQQAAYPPQGYAPPPQGYPPQGYPPQGYPPQGYPPQGY +PPPPQGAPPQGAPPAAPPQGVDNQAYQA +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +MPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCL +VVISVSFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAM +DVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGW +AQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRV +QPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWL +PFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRPTSRSLLQC +QYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT +> 31=p A47425 serotonin receptor 5HT-7 - rat +MPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCL +VVISVSFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAM +DVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGW +AQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRV +QPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWL +PFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQC +QYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAA +IALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCC +TSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPED +RSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADT +RHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGN +SKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLP +FFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFC +RQ +> 33=p A35181 serotonin receptor class 1A - rat +MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAA +IALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCC +TSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPED +RSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGT +SLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGN +SKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLP +FFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFC +RR +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRDNASANDTSATNMTDDRYWSLTVYSHEHLVLTSVILGLFVLCCIIGNCFVIAAV +MLERSLHNVANYLILSLAVADLMVAVLVMPLSVVSEISKVWFLHSEVCDMWISVDVLCCT +ASILHLVAIAMDRYWAVTSIDYIRRRSARRILLMIMVVWIVALFISIPPLFGWRDPNNDP +DKTGTCIISQDKGYTIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTE +ETTLVASPKTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENA +NGVNSNSSSSERLKQIQIETAEAFANGCAEEASIAMLERQCNNGKKISSNDTPYSRTREK +LELKRERKAARTLAIITGAFLICWLPFFIIALIGPFVDPEGIPPFARSFVLWLGYFNSLL +NPIIYTIFSPEFRSAFQKILFGKYRRGHR +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRDNASANDTSATNMTDDRYWSLTVYSHEHLVLTSVILGLFVLCCIIGNCFVIAAV +MLERSLHNVANYLILSLAVADLMVAVLVMPLSVVSEISKVWFLHSEVCDMWISVDVLCCT +ASILHLVAIAMDRYWAVTSIDYIRRRSARRILLMIMVVWIVALFISIPPLFGWRDPNNDP +DKTGTCIISQDKGYTIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTE +ETTLVASPKTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENA +NGVNSNSSSSERLKQIQIETAEAFANGCAEEASIAMLERQCNNGKKISSNDTPYSRTREK +LELKRERKAARTLAIITGAFLICWLPFFIIALIGPFVDPEGIPPFARSFVLWLGYFNSLL +NPIIYTIFSPEFRSAFQKILFGKYRRGHR +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +MEGAEGQEELDWEALYLRLPLQNCSWNSTGWEPNWNVTVVPNTTWWQASAPFDTPAALVR +AAAKAVVLGLLILATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACLVMPLGAV +YEVVQRWTLGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTNIDYIHASTAKRVGMM +IACVWTVSFFVCIAQLLGWKDPDWNQRVSEDLRCVVSQDVGYQIFATASSFYVPVLIILI +LYWRIYQTARKRIRRRRGATARGGVGPPPVPAGGALVAGGGSGGIAAAVVAVIGRPLPTI +SETTTTGFTNVSSNNTSPEKQSCANGLEADPPTTGYGAVAAAYYPSLVRRKPKEAADSKR +ERKAAKTLAIITGAFVACWLPFFVLAILVPTCDCEVSPVLTSLSLWLGYFNSTLNPVIYT +VFSPEFRHAFQRLLCGRRVRRRRAPQ diff --git a/binaries/src/mafft/test/sample.dpparttree b/binaries/src/mafft/test/sample.dpparttree new file mode 100644 index 0000000..4a698ea --- /dev/null +++ b/binaries/src/mafft/test/sample.dpparttree @@ -0,0 +1,576 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +M----------------------------------------------------------- +-----------------------------------NGTE--GDNFYVPF----------- +---------------------------------------------SNKTGLARSPYEYPQ +Y-YLAEPW------------K--------------------------------YSALAAY +MFFLILVGFPVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLFG-FTVTMYTS-MN- +GYFV--FGPTMCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGN-FRFGNTHAIMGV +AFTWIMALAC-AAPPLVG-WSRYIP-------EGM----QCSCGPDYYTLNPNFNNESYV +VYMFVVHFLVPFVIIFFCYGRLLCTV----KE---------------------------- +------------------------------------------------------------ +----------------------------------------------AAAAQQE------- +------------------------------SASTQKAEKEVTRMVVLMVIGFLVCWVPYA +SVAFYIFT-HQG-S--DFGATFMTLPAFFAKSSALYNPVIYILMNKQFRNCMITTLC-C- +--GKNP-------------------LGDDE--SGASTSKT-E--VSSVS-TSPV------ +------------------------------------------------------------ +-------------------SP-A--- +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +M----------------------------------------------------------- +-----------------------------------NGTE--GPNFYVPF----------- +---------------------------------------------SNITGVVRSPFEQPQ +Y-YLAEPW------------Q--------------------------------FSMLAAY +MFLLIVLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGG-FTTTLYTS-LH- +GYFV--FGPTGCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSN-FRFGENHAIMGV +AFTWVMALAC-AAPPLVG-WSRYIP-------EGM----QCSCGIDYYTLKPEVNNESFV +IYMFVVHFTIPMIVIFFCYGQLVFTV----KE---------------------------- +------------------------------------------------------------ +----------------------------------------------AAAQQQE------- +------------------------------SATTQKAEKEVTRMVIIMVIFFLICWLPYA +SVAMYIFT-HQG-S--NFGPIFMTLPAFFAKTASIYNPIIYIMMNKQFRNCMLTSLC-C- +--GKNP-------------------LGDDE--ASATASKT-E--------TSQV------ +------------------------------------------------------------ +-------------------AP-A--- +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +M----------------------------------------------------------- +-----------------------------------NGTE--GINFYVPM----------- +---------------------------------------------SNKTGVVRSPFEYPQ +Y-YLAEPW------------K--------------------------------YRLVCCY +IFFLISTGLPINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACFG-FTVTFYTA-WN- +GYFV--FGPVGCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGN-FRFSATHAMMGI +AFTWVMAFSC-AAPPLFG-WSRYMP-------EGM----QCSCGPDYYTHNPDYHNESYV +LYMFVIHFIIPVVVIFFSYGRLICKV----RE---------------------------- +------------------------------------------------------------ +----------------------------------------------AAAQQQE------- +------------------------------SATTQKAEKEVTRMVILMVLGFMLAWTPYA +VVAFWIFT-NKG-A--DFTATLMAVPAFFSKSSSLYNPIIYVLMNKQFRNCMITTIC-C- +--GKNP-------------------FGDEDVSSTVSQSKT-E--VSSVS-SSQV------ +------------------------------------------------------------ +-------------------SP-A--- +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +M----------------------------------------------------------- +-----------------------------------NGTE--GKNFYVPM----------- +---------------------------------------------SNRTGLVRSPFEYPQ +Y-YLAEPW------------Q--------------------------------FKILALY +LFFLMSMGLPINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCFG-FTVTFYTA-IN- +GYFV--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-FKFSSSHAFAGI +AFTWVMALAC-AAPPLFG-WSRYIP-------EGM----QCSCGPDYYTLNPDYNNESYV +IYMFVCHFILPVAVIFFTYGRLVCTV----KA---------------------------- +------------------------------------------------------------ +----------------------------------------------AAAQQQD------- +------------------------------SASTQKAEREVTKMVILMVFGFLIAWTPYA +TVAAWIFF-NKG-A--DFSAKFMAIPAFFSKSSALYNPVIYVLLNKQFRNCMLTTIF-C- +--GKNP-------------------LGDDE-SSTVSTSKT-E--VSS------V------ +------------------------------------------------------------ +-------------------SP-A--- +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +M----------------------------------------------------------- +-----------------------------------NGTE--GNNFYVPL----------- +---------------------------------------------SNRTGLVRSPFEYPQ +Y-YLAEPW------------Q--------------------------------FKLLAVY +MFFLICLGLPINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCFG-FTVTFYTA-IN- +GYFA--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-FKFSSTHASAGI +AFTWVMAMAC-AAPPLVG-WSRYIP-------EGI----QCSCGPDYYTLNPEYNNESYV +LYMFICHFILPVTIIFFTYGRLVCTV----KA---------------------------- +------------------------------------------------------------ +----------------------------------------------AAAQQQD------- +------------------------------SASTQKAEREVTKMVILMVLGFLVAWTPYA +TVAAWIFF-NKG-A--AFSAQFMAIPAFFSKTSALYNPVIYVLLNKQFRSCMLTTLF-C- +--GKNP-------------------LGDEE-SSTVSTSKT-E--VSS------V------ +------------------------------------------------------------ +-------------------SP-A--- +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +M----------------------------------------------------------- +-----------------------------------KQVPEFHEDFYIPIPL--------- +-------------------------------------------DINNLS--AYSPFLVPQ +D-HLGNQG------------I--------------------------------FMAMSVF +MFFIFIGGASINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIFG-SPLSFYSF-FN- +RYFI--FGATACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGN-FTFKTPHAIAGC +ILPWISALAA-SLPPLFG-WSRYIP-------EGL----QCSCGPDWYTTNNKYNNESYV +MFLFCFCFAVPFGTIVFCYGQLLITL----KL---------------------------- +------------------------------------------------------------ +----------------------------------------------AAKAQAD------- +------------------------------SASTQKAEREVTKMVVVMVLGFLVCWAPYA +SFSLWIVS-HRG-E--EFDLRMATIPSCLSKASTVYNPVIYVLMNKQFRSCMM-KMV-C- +--GKN--------------------IEEDE--ASTSSQVT-Q--VSS------V------ +------------------------------------------------------------ +-------------------APEK--- +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +M----------------------------------------------------------- +-----------------------------------RKMS--EEEFYL---F--------- +---------------------------------------------KNISSV--GPWDGPQ +Y-HIAPVW------------A--------------------------------FYLQAAF +MGTVFLIGFPLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIFS-VFPVFVAS-CN- +GYFV--FGRHVCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGN-FRFSSKHALTVV +LATWTIGIGV-SIPPFFG-WSRFIP-------EGL----QCSCGPDWYTVGTKYRSESYT +WFLFIFCFIVPLSLICFSYTQLLRAL----KA---------------------------- +------------------------------------------------------------ +----------------------------------------------VAAQQQE------- +------------------------------SATTQKAEREVSRMVVVMVGSFCVCYVPYA +AFAMYMVN-NRN-H--GLDLRLVTIPSFFSKSACIYNPIIYCFMNKQFQACIM-KMV-C- +--GKA--------------------MTDES--DTCSSQKT-E--VSTVS-STQV------ +------------------------------------------------------------ +-------------------GP-N--- +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------DLAETVIA-STISIVNQ-VS- +GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-VRFDAKLAIVGI +AFSWIWAAVW-TAPPIFG-WSRYWP-------HGL----KTSCGPDVFSGSSYPGVQSYM +IVLMVTCCITPLSIIVLCYLQVWLAI----RA---------------------------- +------------------------------------------------------------ +----------------------------------------------VAKQQKE------- +------------------------------SESTQKAEKEVTRMVVVMVLAFC------- +------------------------------------------------------------ +------------------------------------------------------------ +------------------------------------------------------------ +-------------------------- +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +M--------------AQQWSLQRLAGRHPQDSYE-------------------------- +-----------------------------------DSTQ--SSIFTYTN----------- +---------------------------------------------SNST---RGPFEGPN +Y-HIAPRW------------V--------------------------------YHLTSVW +MIFVVIASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISVVNQ-VY- +GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGN-VRFDAKLAIVGI +AFSWIWAAVW-TAPPIFG-WSRYWP-------HGL----KTSCGPDVFSGSSYPGVQSYM +IVLMVTCCITPLSIIVLCYLQVWLAI----RA---------------------------- +------------------------------------------------------------ +----------------------------------------------VAKQQKE------- +------------------------------SESTQKAEKEVTRMVVVMVLAFCFCWGPYA +FFACFAAA-NPG-Y--PFHPLMAALPAFFAKSATIYNPVIYVFMNRQFRNCIL-QLF--- +--GKK--------------------VDDGS--ELSSASKT-E--VSSV---SSV------ +------------------------------------------------------------ +-------------------SP-A--- +> 10== Z68193 1 human Red Opsin <>[] +M--------------AQQWSLQRLAGRHPQDSYE-------------------------- +-----------------------------------DSTQ--SSIFTYTN----------- +---------------------------------------------SNST---RGPFEGPN +Y-HIAPRW------------V--------------------------------YHLTSVW +MIFVVTASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISIVNQ-VS- +GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-VRFDAKLAIVGI +AFSWIWSAVW-TAPPIFG-WSRYWP-------HGL----KTSCGPDVFSGSSYPGVQSYM +IVLMVTCCIIPLAIIMLCYLQVWLAI----RA---------------------------- +------------------------------------------------------------ +----------------------------------------------VAKQQKE------- +------------------------------SESTQKAEKEVTRMVVVMIFAYCVCWGPYT +FFACFAAA-NPG-Y--AFHPLMAALPAYFAKSATIYNPVIYVFMNRQFRNCIL-QLF--- +--GKK--------------------VDDGS--ELSSASKT-E--VSSV---SSV------ +------------------------------------------------------------ +-------------------SP-A--- +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +M--------------TEAWNVAVFAARRSRDD-D-------------------------- +-----------------------------------DTTR--GSVFTYTN----------- +---------------------------------------------TNNT---RGPFEGPN +Y-HIAPRW------------V--------------------------------YNLVSFF +MIIVVIASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLVA-STISVFNQ-IF- +GYFI--LGHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGN-IKFDSKLAIIGI +VFSWVWAWGW-SAPPIFG-WSRYWP-------HGL----KTSCGPDVFSGSVELGCQSFM +LTLMITCCFLPLFIIIVCYLQVWMAI----RA---------------------------- +------------------------------------------------------------ +----------------------------------------------VAAQQKE------- +------------------------------SESTQKAEREVSRMVVVMIVAFCICWGPYA +SFVSFAAA-NPG-Y--AFHPLAAALPAYFAKSATIYNPVIYVFMNRQFRNCIM-QLF--- +--GKK--------------------VDDGS--EASTTSRT-E--VSSVS-NSSV------ +------------------------------------------------------------ +-------------------AP-A--- +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +M--------------AA-WEAAFAARRRHEE--E-------------------------- +-----------------------------------DTTR--DSVFTYTN----------- +---------------------------------------------SNNT---RGPFEGPN +Y-HIAPRW------------V--------------------------------YNLTSVW +MIFVVAASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVIA-STISVINQ-IS- +GYFI--LGHPMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGN-IKFDGKLAVAGI +LFSWLWSCAW-TAPPIFG-WSRYWP-------HGL----KTSCGPDVFSGSSDPGVQSYM +VVLMVTCCFFPLAIIILCYLQVWLAI----RA---------------------------- +------------------------------------------------------------ +----------------------------------------------VAAQQKE------- +------------------------------SESTQKAEKEVSRMVVVMIVAYCFCWGPYT +FFACFAAA-NPG-Y--AFHPLAAALPAYFAKSATIYNPIIYVFMNRQFRNCIL-QLF--- +--GKK--------------------VDDGS--EVST-SRT-E--VSSVS-NSSV------ +------------------------------------------------------------ +-------------------SP-A--- +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +M--------------S-----------------S-------------------------- +-----------------------------------NSSQ--AP----------------- +---------------------------------------------PNGT---PGPFDGPQ +WPYQAPQS------------T--------------------------------YVGVAVL +MGTVVACASVVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLCG-SSVSLSNN-IN- +GFFV--FGRRMCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGD-FQFQRRHAVSGC +AFTWGWALLW-SAPPLLG-WSSYVP-------EGL----RTSCGPNWYTGGSNN--NSYI +LSLFVTCFVLPLSLILFSYTNLLLTL----RA---------------------------- +------------------------------------------------------------ +----------------------------------------------AAAQQKE------- +------------------------------ADTTQRAEREVTRMVIVMVMAFLLCWLPYS +TFALVVAT-HKG-I--IIQPVLASLPSYFSKTATVYNPIIYVFMNKQFQSCLL-EMLCCG +YQPQR--------------------TGKAS--PGTPGPHA-D--VTAAGLRNKV------ +------------------------------------------------------------ +-------------------MP-AHPV +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +M--------------------------------ES-G----------------------- +-----------------------------------NVSS-----------SLFGNVSTAL +RPEA------------------RLSA---ETRLLGWNVPPEELR---------------- +--HIPEHW------------LT---------YPEPPESM--------------NYLLGTL +YIFFTLMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK--TPIFIYNS-FH- +QGYA--LGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG--KMTHGKAIAMI +IFIYMYATPW-VVACYTETWGRFVP-------EGY----LTSCTFDYLT--DNFDTRLFV +ACIFFFSFVCPTTMITYYYSQIVGHVFSHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------LRDQAKK--MNVES +L------------------------RS-NVDKNKETAEIRIAKAAITICFLFFCSWTPYG +VMSLIGAF-GDK-T--LLTPGATMIPACACKMVACIDPFVYAISHPRYRMELQ------- +--KRCP----WLALNE---KAPE--SSAVA--STSTTQEP-Q------------------ +-------QT--------------------------------------------------- +-------------------TA-A--- +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +M--------------------------------EY-H----------------------- +-----------------------------------NVSS-----------VL-GNVSSVL +RPDA------------------RLSA---ESRLLGWNVPPDELR---------------- +--HIPEHW------------LI---------YPEPPESM--------------NYLLGTL +YIFFTVISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK--TPIFIYNS-FH- +QGYA--LGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG--KMTHGKAIAMI +IFIYLYATPW-VVACYTESWGRFVP-------EGY----LTSCTFDYLT--DNFDTRLFV +ACIFFFSFVCPTTMITYYYSQIVGHVFSHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------LRDQAKK--MNVDS +L------------------------RS-NVDKSKEAAEIRIAKAAITICFLFFASWTPYG +VMSLIGAF-GDK-T--LLTPGATMIPACTCKMVACIDPFVYAISHPRYRMELQ------- +--KRCP----WLAISE---KAPE--SRAAI--STSTTQEQ-Q------------------ +-------QT--------------------------------------------------- +-------------------TA-A--- +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +M--------------------------------EPLC----------------------- +-----------------------------------NASE-----------PP-------L +RPEA------------------R-SSGNGDLQFLGWNVPPDQIQ---------------- +--YIPEHW------------LT---------QLEPPASM--------------HYMLGVF +YIFLFCASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIF--NS-FH- +RGFAIYLGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFTKAVIMN +IIIWLYCTPW-VVLPLTQFWDRFVP-------EGY----LTSCSFDYLS--DNFDTRLFV +GTIFFFSFVCPTLMILYYYSQIVGHVFSHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------LREQAKK--MNVES +L------------------------RS-NVDKSKETAEIRIAKAAITICFLFFVSWTPYG +VMSLIGAF-GDK-S--LLTQGATMIPACTCKLVACIDPFVYAISHPRYRLELQ------- +--KRCP----WLGVNE---KSGE--ISSAQ--ST-TTQEQ-Q------------------ +-------QT--------------------------------------------------- +-------------------TA-A--- +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +M--------------------------------DALC----------------------- +-----------------------------------NASE-----------PP-------L +RPEA------------------RMSSGSDELQFLGWNVPPDQIQ---------------- +--YIPEHW------------LT---------QLEPPASM--------------HYMLGVF +YIFLFFASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIFIYNS-FH- +RGFA--LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFTKAVIMN +IIIWLYCTPW-VVLPLTQFWDRFVP-------EGY----LTSCSFDYLS--DNFDTRLFV +GTIFLFSFVVPTLMILYYYSQIVGHVFNHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------LREQAKK--MNVES +L------------------------RS-NVDKSKETAEIRIAKAAITICFLFFVSWTPYG +VMSLIGAF-GDK-S--LLTPGATMIPACTCKLVACIEPFVYAISHPRYRMELQ------- +--KRCP----WLGVNE---KSGE--ASSAQ--ST-TTQEQTQ------------------ +-------QT--------------------------------------------------- +-------------------SA-A--- +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +M--------------------------------------------TNATGPQMAYYGAAS +MDFGYPE----------------------------GVSI-----------VD-------- +------------------------------------FVRPEIKP---------------- +--YVHQHW------------YN---------YPPVNPMW--------------HYLLGVI +YLFLGTVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTTN-VPFFTYNC-FSG +GVWM--FSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNG-PKLTTGKAVVFA +LISWVIAIGC-ALPPFFG-WGNYIL-------EGI----LDSCSYDYLT--QDFNTFSYN +IFIFVFDYFLPAAIIVFSYVFIVKAIFAHEAA---------------------------- +------------------------------------------------------------ +----------------------------------------------MRAQAKK--MNVST +L------------------------RS-N-EADAQRAEIRIAKTALVNVSLWFICWTPYA +LISLKGVM-GDT-S--GITPLVSTLPALLAKSCSCYNPFVYAISHPKYRLAIT------- +--QHLP----WFCVHE---TETKS-NDDSQ--SNSTVAQ--------------------- +------------------------------------------------------------ +-------------------DK-A--- +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +M--------------------------------------------ANVTGPQMAFYGSGA +ATFGYPE----------------------------GMTV-----------AD-------- +------------------------------------FVPDRVKH---------------- +--MVLDHW------------YN---------YPPVNPMW--------------HYLLGVV +YLFLGVISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTTN-FPPFCYNC-FSG +GRWM--FSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNG-PKLTQGKATFMC +GLAWVISVGW-SLPPFFG-WGSYTL-------EGI----LDSCSYDYFT--RDMNTITYN +ICIFIFDFFLPASVIVFSYVFIVKAIFAHEAA---------------------------- +------------------------------------------------------------ +----------------------------------------------MRAQAKK--MNVTN +L------------------------RS-N-EAETQRAEIRIAKTALVNVSLWFICWTPYA +AITIQGLL-GNA-E--GITPLLTTLPALLAKSCSCYNPFVYAISHPKFRLAIT------- +--QHLP----WFCVHE---KDPND-VEENQ--SSNTQTQ--------------------- +------------------------------------------------------------ +-------------------EK-S--- +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +M--------------------------------E------SFAVAAAQLGPHFAPLS--- +-----------------------------------NGSV-----------VD-------- +------------------------------------KVTPDMAH---------------- +--LISPYW------------NQ---------FPAMDPIW--------------AKILTAY +MIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINL-YF- +ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTIPLALGKM +----------------------YVP-------EGN----LTSCGIDYLE--RDWNPRSYL +IFYSIFVYYIPLFLICYSYWFIIAAVSAHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------MREQAKK--MNVKS +L------------------------RS-S-EDAEKSAEGKLAKVALVTITLWFMAWTPYL +VINCMGLF--KF-E--GLTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALK------- +--EKCP----CCVFGK---VDDGK-SSDAQ--SQATASEA-E------------------ +------------------------------------------------------------ +-------------------SK-A--- +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +M--------------------------------E------SFAVAAAQLGPHFAPLS--- +-----------------------------------NGSV-----------VD-------- +------------------------------------KVTPDMAH---------------- +--LISPYW------------NQ---------FPAMDPIW--------------AKILTAY +MIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINL-YF- +ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTIPLALGKI +AYIWFMSSIW-CLAPAFG-WSRYVP-------EGN----LTSCGIDYLE--RDWNPRSYL +IFYSIFVYYIPLFLICYSYWFIIAAVSAHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------MREQAKK--MNVKS +L------------------------RS-S-EDAEKSAEGKLAKVALVTITLWFMAWTPYL +VINCMGLF--KF-E--GLTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALK------- +--EKCP----CCVFGK---VDDGK-SSDAQ--SQATASEA-E------------------ +------------------------------------------------------------ +-------------------SK-A--- +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +M--------------------------------D------SFAAVATQLGPQFAAPS--- +-----------------------------------NGSV-----------VD-------- +------------------------------------KVTPDMAH---------------- +--LISPYW------------DQ---------FPAMDPIW--------------AKILTAY +MIIIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINL-YF- +ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTIPLALGKI +AYIWFMSTIWCCLAPVFG-WSRYVP-------EGN----LTSCGIDYLE--RDWNPRSYL +IFYSIFVYYIPLFLICYSYWFIIAAVSAHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------MREQAKK--MNVKS +L------------------------RS-S-EDADKSAEGKLAKVALVTISLWFMAWTPYL +VINCMGLF--KF-E--GLTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALK------- +--EKCP----CCVFGK---VDDGK-SSEAQ--SQATTSEA-E------------------ +------------------------------------------------------------ +-------------------SK-A--- +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +M--------------------------------ER-SHLPETPFDLAHSGPRFQAQSSG- +-----------------------------------NGSV-----------LD-------- +------------------------------------NVLPDMAH---------------- +--LVNPYW------------SR---------FAPMDPMM--------------SKILGLF +TLAIMIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMIINF-YY- +ETWV--LGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGING-TPMTIKTSIMKI +LFIWMMAVFW-TVMPLIG-WSAYVP-------EGN----LTACSIDYMT--RMWNPRSYL +ITYSLFVYYTPLFLICYSYWFIIAAVAAHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------MREQAKK--MNVKS +L------------------------RS-S-EDCDKSAEGKLAKVALTTISLWFMAWTPYL +VICYFGLF--KI-D--GLTPLTTIWGATFAKTSAVYNPIVYGISHPKYRIVLK------- +--EKCP----MCVFGN---TDEPKPDAPAS--DTETTSEA-D------------------ +------------------------------------------------------------ +-------------------SK-A--- +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +M--------------------------------ER-SLLPEPPLAMALLGPRFEAQTGG- +-----------------------------------NRSV-----------LD-------- +------------------------------------NVLPDMAP---------------- +--LVNPHW------------SR---------FAPMDPTM--------------SKILGLF +TLVILIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMIINF-YY- +ETWV--LGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGING-TPMTIKTSIMKI +AFIWMMAVFW-TIMPLIG-WSSYVP-------EGN----LTACSIDYMT--RQWNPRSYL +ITYSLFVYYTPLFMICYSYWFIIATVAAHEKA---------------------------- +------------------------------------------------------------ +----------------------------------------------MRDQAKK--MNVKS +L------------------------RS-S-EDCDKSAENKLAKVALTTISLWFMAWTPYL +IICYFGLF--KI-D--GLTPLTTIWGATFAKTSAVYNPIVYGISHPNDRLVLK------- +--EKCP----MCVCGT---TDEPKPDAPPS--DTETTSEA-E------------------ +------------------------------------------------------------ +-------------------SK-D--- +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +M--------------------------------------------IAVSGPSYEAFSYG- +---GQAR--------------------------FNNQTV-----------VD-------- +------------------------------------KVPPDMLH---------------- +--LIDANW------------YQ---------YPPLNPMW--------------HGILGFV +IGMLGFVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFCM-SPPMVINC-YY- +ETWV--LGPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSG-KPLSINGALIRI +IAIWLFSLGW-TIAPMFG-WNRYVP-------EGN----MTACGTDYFN--RGLLSASYL +VCYGIWVYFVPLFLIIYSYWFIIQAVAAHEKN---------------------------- +------------------------------------------------------------ +----------------------------------------------MREQAKK--MNVAS +L------------------------RS-S-ENQNTSAECKLAKVALMTISLWFMAWTPYL +VINFSGIF--NL-V--KISPLFTIWGSLFAKANAVYNPIVYGISHPKYRAALF------- +--AKFP----SLAC-A---AEPSS-DAVST--TSGTTTVT-D------------------ +------------------------------------------------------------ +---------------NEK-SN-A--- +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +M----------------------------------------------ANQLSYSSLGWP- +---YQP-----------------------------NASV-----------VD-------- +------------------------------------TMPKEMLY---------------- +--MIHEHW------------YA---------FPPMNPLW--------------YSILGVA +MIILGIICVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAFM-MPTMTSNC-FA- +ETWI--LGPFMCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAA-APLTHKKATLLL +LFVWIWSGGW-TILPFFG-WSRYVP-------EGN----LTSCTVDYLT--KDWSSASYV +VIYGLAVYFLPLITMIYCYFFIVHAVAEHEKQ---------------------------- +------------------------------------------------------------ +----------------------------------------------LREQAKK--MNVAS +L------------------------RANA-DQQKQSAECRLAKVAMMTVGLWFMAWTPYL +IISWAGVF--SSGT--RLTPLATIWGSVFAKANSCYNPIVYGISHPRYKAALY------- +--QRFP----SLACGS---GESGS-DVKSE--ASATTTME-E------------------ +------------------------------------------------------------ +---------------KPKIPE-A--- +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +M----------------------------------------------------------- +---VESTTLV------------------NQTWWY-NPTV-----------D--------- +------------------------------------------------------------ +---IHPHW------------AK---------FDPIPDAV--------------YYSVGIF +IGVVGIIGILGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAINGFPLKTISA-FM- +KKWI--FGKVACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAASKKMSHRRAFLMI +IFVWMWSIVW-SVGPVFN-WGAYVP-------EGI----LTSCSFDYLS--TDPSTRSFI +LCMYFCGFMLPIIIIAFCYFNIVMSVSNHEKE---------------------------- +------------------------------------------------------------ +----------------------------------------------MAAMAKR--LNAKE +L------------------------RK---AQAGASAEMKLAKISMVIITQFMLSWSPYA +IIALLAQF-GPA-E--WVTPYAAELPVLFAKASAIHNPIVYSVSHPKFREAIQ------- +--TTFPWLLTCCQFDE---KECED-ANDAE--EEVVASER---GGESRD-AAQMKEMMAM +MQKMQAQQAAYQPPPPPQGY--PPQGYPPQGAYPPPQGYPPQGYPPQGYPPQGYPPQGAP +PQVEAPQGAPPQGVDNQA-YQ-A--- +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +M----------------------------------------------------------- +---GRDLR-D------------------NETWWY-NPSI-----------V--------- +------------------------------------------------------------ +---VHPHW------------RE---------FDQVPDAV--------------YYSLGIF +IGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNGFPLMTISC-FL- +KKWI--FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMI +IFVWLWSVLW-AIGPIFG-WGAYTL-------EGV----LCNCSFDYIS--RDSTTRSNI +LCMFILGFFGPILIIFFCYFNIVMSVSNHEKE---------------------------- +------------------------------------------------------------ +----------------------------------------------MAAMAKR--LNAKE +L------------------------RK---AQAGANAEMRLAKISIVIVSQFLLSWSPYA +VVALLAQF-GPL-E--WVTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREAIS------- +--QTFPWVLTCCQFDD---KETED-DKDAE--TEIPAGES-SDAAPSAD-AAQMKEMMAM +MQKMQQQQAAY----PPQGYAPPPQGYPPQGY--PPQGYPPQGYPPQGYPP---PPQGAP +PQ-GAPPAAPPQGVDNQA-YQ-A--- +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +M----------------------------------------------------------- +------------------------------------------------------------ +--------------PHLLSGFLEVTA---------------------------------- +--SPAPTW-----------------------DAPPDNVS--GCGEQINYGRVEKVVIGSI +LTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVSVTDLIG- +GKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMI +LSVWLLSASI-TLPPLFG-WAQNVN--DDK---------VCLISQDF----------GYT +IYSTAVAFYIPMSVMLFMYYQIYKAAR--------------------------------- +-----------------KSAAKHKFPGFPRVQPESVI----------------------S +LNGVVK----------------------LQKEVEECAN--------LSRLLKH------- +-------------------------ER-K-NISIFKREQKAATTLGIIVGAFTVCWLPFF +LLSTARPFICGT-SCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRPTSR-SLL--- +----------QCQYRN-INRKLSA-AGMHE--ALKLAERP-E--------RSEF-----V +LQNSDH--------CGKKGHD--------------------------------------- +----------------------T--- +> 31=p A47425 serotonin receptor 5HT-7 - rat +M----------------------------------------------------------- +------------------------------------------------------------ +--------------PHLLSGFLEVTA---------------------------------- +--SPAPTW-----------------------DAPPDNVS--GCGEQINYGRVEKVVIGSI +LTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVSVTDLIG- +GKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMI +LSVWLLSASI-TLPPLFG-WAQNVN--DDK---------VCLISQDF----------GYT +IYSTAVAFYIPMSVMLFMYYQIYKAAR--------------------------------- +-----------------KSAAKHKFPGFPRVQPESVI----------------------S +LNGVVK----------------------LQKEVEECAN--------LSRLLKH------- +-------------------------ER-K-NISIFKREQKAATTLGIIVGAFTVCWLPFF +LLSTARPFICGT-SCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYR-SLL--- +----------QCQYRN-INRKLSA-AGMHE--ALKLAERP-E--------RSEF-----V +LQNSDH--------CGKKGHD--------------------------------------- +----------------------T--- +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +M-DVLSPGQ--------------------------------------------------- +-----------------GNNTTSPPAPFETGG---NTTG--------------------I +-------------------------S---------------------------------- +--DVTVSY---------------------------------------------QVITSLL +LGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAALYQ-VL- +NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALI +SLTWLIGFLI-SIPPMLG-WRTPEDRSDPD---------ACTISKDH----------GYT +IYSTFGAFYIPLLLMLVLYGRIFRAARFRIRK---------------------------- +-----------TVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGAL-C +ANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAP-----ASFERK------- +----NERNA----------------EA-K-RKMALARERKTVKTLGIIMGTFILCWLPFF +IVALVLPF-CES-SC-HMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFK-KII--- +----------KCKFCR-------------------------------------------- +------------------------------------------------------------ +----------------------Q--- +> 33=p A35181 serotonin receptor class 1A - rat +M-DVFSFGQ--------------------------------------------------- +-----------------GNNTTASQEPFGTGG---NVTS--------------------I +-------------------------S---------------------------------- +--DVTFSY---------------------------------------------QVITSLL +LGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAALYQ-VL- +NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALI +SLTWLIGFLI-SIPPMLG-WRTPEDRSDPD---------ACTISKDH----------GYT +IYSTFGAFYIPLLLMLVLYGRIFRAARFRIRK---------------------------- +-----------TVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTP-C +TNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAP-----ACLERK------- +----NERNA----------------EA-K-RKMALARERKTVKTLGIIMGTFILCWLPFF +IVALVLPF-CES-SC-HMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFK-KII--- +----------KCKFCR-------------------------------------------- +------------------------------------------------------------ +----------------------R--- +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +M-ANFTFGDLALD----------------------------------------------- +-------------VARMGGLASTPSGLRSTGL---TTPG--------------------L +SPTG------------------LVTS---------------------------------- +--DFNDSYGLTGQFINGSHSSRSRDNASAN-DTSATNMTDDRYWSLTVYSHEHLVLTSVI +LGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSVVSE-IS- +KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSARRILLMI +MVVWIVALFI-SIPPLFG-WRDPNN--DPD------KTGTCIISQDK----------GYT +IFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVV +SDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKK----------------NRAKKLPEN +ANGVNSNSSSSERLKQIQIE-----------TAEAFANGCAEEAS-IAMLERQ-CNNGKK +ISSNDTPYS----------------RT-R-EKLELKRERKAARTLAIITGAFLICWLPFF +IIALIGPF-VDP-E--GIPPFARSFVLWLGYFNSLLNPIIYTIFSPEFRSAFQ-KIL--- +----------FGKYRR-------------------------------------------- +------------------GH---------------------------------------- +----------------------R--- +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +M-ANFTFGDLALD----------------------------------------------- +-------------VARMGGLASTPSGLRSTGL---TTPG--------------------L +SPTG------------------LVTS---------------------------------- +--DFNDSYGLTGQFINGSHSSRSRDNASAN-DTSATNMTDDRYWSLTVYSHEHLVLTSVI +LGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSVVSE-IS- +KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSARRILLMI +MVVWIVALFI-SIPPLFG-WRDPNN--DPD------KTGTCIISQDK----------GYT +IFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVV +SDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKK----------------NRAKKLPEN +ANGVNSNSSSSERLKQIQIE-----------TAEAFANGCAEEAS-IAMLERQ-CNNGKK +ISSNDTPYS----------------RT-R-EKLELKRERKAARTLAIITGAFLICWLPFF +IIALIGPF-VDP-E--GIPPFARSFVLWLGYFNSLLNPIIYTIFSPEFRSAFQ-KIL--- +----------FGKYRR-------------------------------------------- +------------------GH---------------------------------------- +----------------------R--- +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +M-EGAE-GQEELDWEA-------------------------------------------- +---------LYLRLP-----------LQNCSW---NSTG--------------------W +EPNW------------------NVTV---------------------------------- +--VPNTTW----------------WQASAPFDTPAALVR--------------AAAKAVV +LGLLILATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACLV-MPLGAVYE-VV- +QRWT--LGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDYIHASTAKRVGMMI +ACVWTVSFFV-CIAQLLG-WK------DPDWNQRVSEDLRCVVSQDV----------GYQ +IFATASSFYVPVLIILILYWRIYQTARKRIRR---------------------------- +-----------------RRGATARGGVGPPPVP--------------------------- +AGGALVAGGGSGGIAAAVVAVIGRP---LPTISETTTTGFTNVSSNNTSPEKQSCANGLE +A---DPPTTGYGAVAAAYYPSLVRRKP-K-EAADSKRERKAAKTLAIITGAFVACWLPFF +VLAILVPT-CDC-E---VSPVLTSLSLWLGYFNSTLNPVIYTVFSPEFRHAFQ-RLL--- +----------CGRRVRRR------------------------------------------ +-----------------RAP---------------------------------------- +----------------------Q--- diff --git a/binaries/src/mafft/test/sample.fftns2 b/binaries/src/mafft/test/sample.fftns2 new file mode 100644 index 0000000..c3f02b2 --- /dev/null +++ b/binaries/src/mafft/test/sample.fftns2 @@ -0,0 +1,468 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +------------------------------------------------------------ +---------MNGTE--GDNFYVP----FSNKTGLARSPYEYPQY-YLAEPWK-------- +-YSALAAYMFFLILVGFPVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLFG-FTVT +MYTSMN-GYFV--FGPTMCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGN-FRFGN +THAIMGVAFTWIMALAC-AAPPLVG-W-----SRYIPEGMQCSCGPDYYTLNPNFNNESY +VVYMFVVHFLVPFVIIFFCYGRLLCTV--------------------------------- +------------------------------------------------------------ +------------------------------KEAAAAQQ----------ESASTQKA---- +-------------------------EKEVTRMVVLMVIGFLVCWVPYASVAFYIFTHQGS +D---FGATFMTLPAFFAKSSALYNPVIYILMNKQFRNCMITTLCCGKN------PLGDDE +--SGASTSKTEVSSVS-TSPVSPA------------------------------------ +--------------------------------------------------- +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +------------------------------------------------------------ +---------MNGTE--GPNFYVP----FSNITGVVRSPFEQPQY-YLAEPWQ-------- +-FSMLAAYMFLLIVLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGG-FTTT +LYTSLH-GYFV--FGPTGCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSN-FRFGE +NHAIMGVAFTWVMALAC-AAPPLVG-W-----SRYIPEGMQCSCGIDYYTLKPEVNNESF +VIYMFVVHFTIPMIVIFFCYGQLVFTV--------------------------------- +------------------------------------------------------------ +------------------------------KEAAAQQQ----------ESATTQKA---- +-------------------------EKEVTRMVIIMVIFFLICWLPYASVAMYIFTHQGS +N---FGPIFMTLPAFFAKTASIYNPIIYIMMNKQFRNCMLTSLCCGKN------PLGDDE +--ASATASKTE------TSQVAPA------------------------------------ +--------------------------------------------------- +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +------------------------------------------------------------ +---------MNGTE--GINFYVP----MSNKTGVVRSPFEYPQY-YLAEPWK-------- +-YRLVCCYIFFLISTGLPINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACFG-FTVT +FYTAWN-GYFV--FGPVGCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGN-FRFSA +THAMMGIAFTWVMAFSC-AAPPLFG-W-----SRYMPEGMQCSCGPDYYTHNPDYHNESY +VLYMFVIHFIIPVVVIFFSYGRLICKV--------------------------------- +------------------------------------------------------------ +------------------------------REAAAQQQ----------ESATTQKA---- +-------------------------EKEVTRMVILMVLGFMLAWTPYAVVAFWIFTNKGA +D---FTATLMAVPAFFSKSSSLYNPIIYVLMNKQFRNCMITTICCGKN------PFGDED +VSSTVSQSKTEVSSVS-SSQVSPA------------------------------------ +--------------------------------------------------- +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +------------------------------------------------------------ +---------MNGTE--GKNFYVP----MSNRTGLVRSPFEYPQY-YLAEPWQ-------- +-FKILALYLFFLMSMGLPINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCFG-FTVT +FYTAIN-GYFV--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-FKFSS +SHAFAGIAFTWVMALAC-AAPPLFG-W-----SRYIPEGMQCSCGPDYYTLNPDYNNESY +VIYMFVCHFILPVAVIFFTYGRLVCTV--------------------------------- +------------------------------------------------------------ +------------------------------KAAAAQQQ----------DSASTQKA---- +-------------------------EREVTKMVILMVFGFLIAWTPYATVAAWIFFNKGA +D---FSAKFMAIPAFFSKSSALYNPVIYVLLNKQFRNCMLTTIFCGKN------PLGDDE +-SSTVSTSKTEVSS------VSPA------------------------------------ +--------------------------------------------------- +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +------------------------------------------------------------ +---------MNGTE--GNNFYVP----LSNRTGLVRSPFEYPQY-YLAEPWQ-------- +-FKLLAVYMFFLICLGLPINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCFG-FTVT +FYTAIN-GYFA--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-FKFSS +THASAGIAFTWVMAMAC-AAPPLVG-W-----SRYIPEGIQCSCGPDYYTLNPEYNNESY +VLYMFICHFILPVTIIFFTYGRLVCTV--------------------------------- +------------------------------------------------------------ +------------------------------KAAAAQQQ----------DSASTQKA---- +-------------------------EREVTKMVILMVLGFLVAWTPYATVAAWIFFNKGA +A---FSAQFMAIPAFFSKTSALYNPVIYVLLNKQFRSCMLTTLFCGKN------PLGDEE +-SSTVSTSKTEVSS------VSPA------------------------------------ +--------------------------------------------------- +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +------------------------------------------------------------ +---------MKQVPEFHEDFYIPIPLDINNLS--AYSPFLVPQD-HLGNQGI-------- +-FMAMSVFMFFIFIGGASINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIFG-SPLS +FYSFFN-RYFI--FGATACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGN-FTFKT +PHAIAGCILPWISALAA-SLPPLFG-W-----SRYIPEGLQCSCGPDWYTTNNKYNNESY +VMFLFCFCFAVPFGTIVFCYGQLLITL--------------------------------- +------------------------------------------------------------ +------------------------------KLAAKAQA----------DSASTQKA---- +-------------------------EREVTKMVVVMVLGFLVCWAPYASFSLWIVSHRGE +E---FDLRMATIPSCLSKASTVYNPVIYVLMNKQFRSCMM-KMVCGKN-------IEEDE +--ASTSSQVTQVSS------VAPEK----------------------------------- +--------------------------------------------------- +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +------------------------------------------------------------ +---------MRKMS--EEEFYL-----FKNISSV--GPWDGPQY-HIAPVWA-------- +-FYLQAAFMGTVFLIGFPLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIFS-VFPV +FVASCN-GYFV--FGRHVCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGN-FRFSS +KHALTVVLATWTIGIGV-SIPPFFG-W-----SRFIPEGLQCSCGPDWYTVGTKYRSESY +TWFLFIFCFIVPLSLICFSYTQLLRAL--------------------------------- +------------------------------------------------------------ +------------------------------KAVAAQQQ----------ESATTQKA---- +-------------------------EREVSRMVVVMVGSFCVCYVPYAAFAMYMVNNRNH +G---LDLRLVTIPSFFSKSACIYNPIIYCFMNKQFQACIM-KMVCGKA-------MTDES +--DTCSSQKTEVSTVS-STQVGPN------------------------------------ +--------------------------------------------------- +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +-----------------------------------------------DLAETVIA-STIS +IVNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-VRFDA +KLAIVGIAFSWIWAAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPGVQSY +MIVLMVTCCITPLSIIVLCYLQVWLAI--------------------------------- +------------------------------------------------------------ +------------------------------RAVAKQQK----------ESESTQKA---- +-------------------------EKEVTRMVVVMVLAFC------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--------------------------------------------------- +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +----------------------------------------------------------MA +QQWSLQRLAGRHPQDSYEDSTQSSIFTYTNSNS-TRGPFEGPNY-HIAPRWV-------- +-YHLTSVWMIFVVIASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STIS +VVNQVY-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGN-VRFDA +KLAIVGIAFSWIWAAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPGVQSY +MIVLMVTCCITPLSIIVLCYLQVWLAI--------------------------------- +------------------------------------------------------------ +------------------------------RAVAKQQK----------ESESTQKA---- +-------------------------EKEVTRMVVVMVLAFCFCWGPYAFFACFAAANPGY +P---FHPLMAALPAFFAKSATIYNPVIYVFMNRQFRNCILQLF-----------GKKVDD +GSELSSASKTEVSSV---SSVSPA------------------------------------ +--------------------------------------------------- +> 10== Z68193 1 human Red Opsin <>[] +----------------------------------------------------------MA +QQWSLQRLAGRHPQDSYEDSTQSSIFTYTNSNS-TRGPFEGPNY-HIAPRWV-------- +-YHLTSVWMIFVVTASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STIS +IVNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-VRFDA +KLAIVGIAFSWIWSAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPGVQSY +MIVLMVTCCIIPLAIIMLCYLQVWLAI--------------------------------- +------------------------------------------------------------ +------------------------------RAVAKQQK----------ESESTQKA---- +-------------------------EKEVTRMVVVMIFAYCVCWGPYTFFACFAAANPGY +A---FHPLMAALPAYFAKSATIYNPVIYVFMNRQFRNCILQLF-----------GKKVDD +GSELSSASKTEVSSV---SSVSPA------------------------------------ +--------------------------------------------------- +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +----------------------------------------------------------MT +EAWNVAVFAARRSRDD-DDTTRGSVFTYTNTNN-TRGPFEGPNY-HIAPRWV-------- +-YNLVSFFMIIVVIASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLVA-STIS +VFNQIF-GYFI--LGHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGN-IKFDS +KLAIIGIVFSWVWAWGW-SAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSVELGCQSF +MLTLMITCCFLPLFIIIVCYLQVWMAI--------------------------------- +------------------------------------------------------------ +------------------------------RAVAAQQK----------ESESTQKA---- +-------------------------EREVSRMVVVMIVAFCICWGPYASFVSFAAANPGY +A---FHPLAAALPAYFAKSATIYNPVIYVFMNRQFRNCIMQLF-----------GKKVDD +GSEASTTSRTEVSSVS-NSSVAPA------------------------------------ +--------------------------------------------------- +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +-----------------------------------------------------------M +AAWEAAFAARRRHEE--EDTTRDSVFTYTNSNN-TRGPFEGPNY-HIAPRWV-------- +-YNLTSVWMIFVVAASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVIA-STIS +VINQIS-GYFI--LGHPMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGN-IKFDG +KLAVAGILFSWLWSCAW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSDPGVQSY +MVVLMVTCCFFPLAIIILCYLQVWLAI--------------------------------- +------------------------------------------------------------ +------------------------------RAVAAQQK----------ESESTQKA---- +-------------------------EKEVSRMVVVMIVAYCFCWGPYTFFACFAAANPGY +A---FHPLAAALPAYFAKSATIYNPIIYVFMNRQFRNCILQLF-----------GKKVDD +GSEVST-SRTEVSSVS-NSSVSPA------------------------------------ +--------------------------------------------------- +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +------------------------------------------------------------ +---------------------MSSNSSQAPPNG-TPGPFDGPQWPYQAPQST-------- +-YVGVAVLMGTVVACASVVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLCG-SSVS +LSNNIN-GFFV--FGRRMCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGD-FQFQR +RHAVSGCAFTWGWALLW-SAPPLLG-W-----SSYVPEGLRTSCGPNWYTGGSNN--NSY +ILSLFVTCFVLPLSLILFSYTNLLLTL--------------------------------- +------------------------------------------------------------ +------------------------------RAAAAQQK----------EADTTQRA---- +-------------------------EREVTRMVIVMVMAFLLCWLPYSTFALVVATHKGI +I---IQPVLASLPSYFSKTATVYNPIIYVFMNKQFQSCLLEMLCCGYQ------PQRTGK +ASPGTPGPHADVTAAGLRNKVMPAHPV--------------------------------- +--------------------------------------------------- +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +------------------------------------------------------MESGNV +SSSLFGNVSTALRPEARLSA---E-----TRLLGWNVPPEELR--HIPEHWLTYPEPPES +MNYLLGTLYIFFTLMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK--TPIF +IYNSFH-QGYA--LGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG--KMTH +GKAIAMIIFIYMYATPW-VVACYTETW-----GRFVPEGYLTSCTFDYLT--DNFDTRLF +VACIFFFSFVCPTTMITYYYSQIVGHVFSH------------------------------ +------------------------------------------------------------ +-----------------------------EKALRDQAKKMNVESLRSNVDKNKETA---- +-------------------------EIRIAKAAITICFLFFCSWTPYGVMSLIGAFGDKT +L---LTPGATMIPACACKMVACIDPFVYAISHPRYRMELQKRCPWLAL---------NEK +APESSAVASTSTTQEPQQTTAA-------------------------------------- +--------------------------------------------------- +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +------------------------------------------------------MEYHNV +SSVL-GNVSSVLRPDARLSA---E-----SRLLGWNVPPDELR--HIPEHWLIYPEPPES +MNYLLGTLYIFFTVISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK--TPIF +IYNSFH-QGYA--LGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG--KMTH +GKAIAMIIFIYLYATPW-VVACYTESW-----GRFVPEGYLTSCTFDYLT--DNFDTRLF +VACIFFFSFVCPTTMITYYYSQIVGHVFSH------------------------------ +------------------------------------------------------------ +-----------------------------EKALRDQAKKMNVDSLRSNVDKSKEAA---- +-------------------------EIRIAKAAITICFLFFASWTPYGVMSLIGAFGDKT +L---LTPGATMIPACTCKMVACIDPFVYAISHPRYRMELQKRCPWLAI---------SEK +APESRAAISTSTTQEQQQTTAA-------------------------------------- +--------------------------------------------------- +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +------------------------------------------------------ME---- +--PLCNASEPPLRPEAR-SSGNGD-----LQFLGWNVPPDQIQ--YIPEHWLTQLEPPAS +MHYMLGVFYIFLFCASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIF +--NSFH-RGFAIYLGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTF +TKAVIMNIIIWLYCTPW-VVLPLTQFW-----DRFVPEGYLTSCSFDYLS--DNFDTRLF +VGTIFFFSFVCPTLMILYYYSQIVGHVFSH------------------------------ +------------------------------------------------------------ +-----------------------------EKALREQAKKMNVESLRSNVDKSKETA---- +-------------------------EIRIAKAAITICFLFFVSWTPYGVMSLIGAFGDKS +L---LTQGATMIPACTCKLVACIDPFVYAISHPRYRLELQKRCPWLGV---------NEK +SGEISSAQSTTTQEQ-QQTTAA-------------------------------------- +--------------------------------------------------- +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +------------------------------------------------------MD---- +--ALCNASEPPLRPEARMSSGSDE-----LQFLGWNVPPDQIQ--YIPEHWLTQLEPPAS +MHYMLGVFYIFLFFASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIF +IYNSFH-RGFA--LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTF +TKAVIMNIIIWLYCTPW-VVLPLTQFW-----DRFVPEGYLTSCSFDYLS--DNFDTRLF +VGTIFLFSFVVPTLMILYYYSQIVGHVFNH------------------------------ +------------------------------------------------------------ +-----------------------------EKALREQAKKMNVESLRSNVDKSKETA---- +-------------------------EIRIAKAAITICFLFFVSWTPYGVMSLIGAFGDKS +L---LTPGATMIPACTCKLVACIEPFVYAISHPRYRMELQKRCPWLGV---------NEK +SGEASSAQSTTTQEQTQQTSAA-------------------------------------- +--------------------------------------------------- +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +------------------------------------------------------------ +---MTNATGPQMAYYGAASMDFGYPE---GVSIVDFVRPEIKP--YVHQHWYNYPPVNPM +WHYLLGVIYLFLGTVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTTN-VPFF +TYNCFSGGVWM--FSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNG-PKLTT +GKAVVFALISWVIAIGC-ALPPFFG-W-----GNYILEGILDSCSYDYLT--QDFNTFSY +NIFIFVFDYFLPAAIIVFSYVFIVKAIFAH------------------------------ +------------------------------------------------------------ +-----------------------------EAAMRAQAKKMNVSTLRS-NEADAQRA---- +-------------------------EIRIAKTALVNVSLWFICWTPYALISLKGVMGDTS +G---ITPLVSTLPALLAKSCSCYNPFVYAISHPKYRLAITQHLPWFCV------HETETK +SNDDSQSNSTVAQDKA-------------------------------------------- +--------------------------------------------------- +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +------------------------------------------------------------ +---MANVTGPQMAFYGSGAATFGYPE---GMTVADFVPDRVKH--MVLDHWYNYPPVNPM +WHYLLGVVYLFLGVISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTTN-FPPF +CYNCFSGGRWM--FSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNG-PKLTQ +GKATFMCGLAWVISVGW-SLPPFFG-W-----GSYTLEGILDSCSYDYFT--RDMNTITY +NICIFIFDFFLPASVIVFSYVFIVKAIFAH------------------------------ +------------------------------------------------------------ +-----------------------------EAAMRAQAKKMNVTNLRS-NEAETQRA---- +-------------------------EIRIAKTALVNVSLWFICWTPYAAITIQGLLGNAE +G---ITPLLTTLPALLAKSCSCYNPFVYAISHPKFRLAITQHLPWFCV------HEKDPN +DVEENQSSNTQTQEKS-------------------------------------------- +--------------------------------------------------- +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +---------------------------------------------------------MES +FAVAAAQLGPHFA-----PLS--------NGSVVDKVTPDMAH--LISPYWNQFPAMDPI +WAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMM +GINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTI +PLALGKM---------------------------YVPEGNLTSCGIDYLE--RDWNPRSY +LIFYSIFVYYIPLFLICYSYWFIIAAVSAH------------------------------ +------------------------------------------------------------ +-----------------------------EKAMREQAKKMNVKSLRS-SEDAEKSA---- +-------------------------EGKLAKVALVTITLWFMAWTPYLVINCMGLFKF-E +G---LTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVF------GKVDDG +K-SSDAQSQATASEAESKA----------------------------------------- +--------------------------------------------------- +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +---------------------------------------------------------MES +FAVAAAQLGPHFA-----PLS--------NGSVVDKVTPDMAH--LISPYWNQFPAMDPI +WAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMM +GINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTI +PLALGKIAYIWFMSSIW-CLAPAFG-W-----SRYVPEGNLTSCGIDYLE--RDWNPRSY +LIFYSIFVYYIPLFLICYSYWFIIAAVSAH------------------------------ +------------------------------------------------------------ +-----------------------------EKAMREQAKKMNVKSLRS-SEDAEKSA---- +-------------------------EGKLAKVALVTITLWFMAWTPYLVINCMGLFKF-E +G---LTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVF------GKVDDG +K-SSDAQSQATASEAESKA----------------------------------------- +--------------------------------------------------- +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +---------------------------------------------------------MDS +FAAVATQLGPQFA-----APS--------NGSVVDKVTPDMAH--LISPYWDQFPAMDPI +WAKILTAYMIIIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMM +GINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTI +PLALGKIAYIWFMSTIWCCLAPVFG-W-----SRYVPEGNLTSCGIDYLE--RDWNPRSY +LIFYSIFVYYIPLFLICYSYWFIIAAVSAH------------------------------ +------------------------------------------------------------ +-----------------------------EKAMREQAKKMNVKSLRS-SEDADKSA---- +-------------------------EGKLAKVALVTISLWFMAWTPYLVINCMGLFKF-E +G---LTPLNTIWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVF------GKVDDG +K-SSEAQSQATTSEAESKA----------------------------------------- +--------------------------------------------------- +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +----------------------------------------------------MERSHLPE +TPFDLAHSGPRFQ-----AQSSG------NGSVLDNVLPDMAH--LVNPYWSRFAPMDPM +MSKILGLFTLAIMIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVM +IINFYY-ETWV--LGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGING-TPMTI +KTSIMKILFIWMMAVFW-TVMPLIG-W-----SAYVPEGNLTACSIDYMT--RMWNPRSY +LITYSLFVYYTPLFLICYSYWFIIAAVAAH------------------------------ +------------------------------------------------------------ +-----------------------------EKAMREQAKKMNVKSLRS-SEDCDKSA---- +-------------------------EGKLAKVALTTISLWFMAWTPYLVICYFGLFKI-D +G---LTPLTTIWGATFAKTSAVYNPIVYGISHPKYRIVLKEKCPMCVF------GNTDEP +KPDAPASDTETTSEADSKA----------------------------------------- +--------------------------------------------------- +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +----------------------------------------------------MERSLLPE +PPLAMALLGPRFE-----AQTGG------NRSVLDNVLPDMAP--LVNPHWSRFAPMDPT +MSKILGLFTLVILIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVM +IINFYY-ETWV--LGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGING-TPMTI +KTSIMKIAFIWMMAVFW-TIMPLIG-W-----SSYVPEGNLTACSIDYMT--RQWNPRSY +LITYSLFVYYTPLFMICYSYWFIIATVAAH------------------------------ +------------------------------------------------------------ +-----------------------------EKAMRDQAKKMNVKSLRS-SEDCDKSA---- +-------------------------ENKLAKVALTTISLWFMAWTPYLIICYFGLFKI-D +G---LTPLTTIWGATFAKTSAVYNPIVYGISHPNDRLVLKEKCPMCVC------GTTDEP +KPDAPPSDTETTSEAESKD----------------------------------------- +--------------------------------------------------- +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +------------------------------------------------------------ +---MIAVSGPSYE-----AFSYGGQARFNNQTVVDKVPPDMLH--LIDANWYQYPPLNPM +WHGILGFVIGMLGFVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFCM-SPPM +VINCYY-ETWV--LGPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSG-KPLSI +NGALIRIIAIWLFSLGW-TIAPMFG-W-----NRYVPEGNMTACGTDYFN--RGLLSASY +LVCYGIWVYFVPLFLIIYSYWFIIQAVAAH------------------------------ +------------------------------------------------------------ +-----------------------------EKNMREQAKKMNVASLRS-SENQNTSA---- +-------------------------ECKLAKVALMTISLWFMAWTPYLVINFSGIFNL-V +K---ISPLFTIWGSLFAKANAVYNPIVYGISHPKYRAALFAKFPSLAC-------AAEPS +SDAVSTTSGTTTVTDNEKSNA--------------------------------------- +--------------------------------------------------- +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +------------------------------------------------------------ +-----MANQLSYS-----SLGWPYQP---NASVVDTMPKEMLY--MIHEHWYAFPPMNPL +WYSILGVAMIILGIICVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAFM-MPTM +TSNCFA-ETWI--LGPFMCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAA-APLTH +KKATLLLLFVWIWSGGW-TILPFFG-W-----SRYVPEGNLTSCTVDYLT--KDWSSASY +VVIYGLAVYFLPLITMIYCYFFIVHAVAEH------------------------------ +------------------------------------------------------------ +-----------------------------EKQLREQAKKMNVASLRANADQQKQSA---- +-------------------------ECRLAKVAMMTVGLWFMAWTPYLIISWAGVFSSGT +R---LTPLATIWGSVFAKANSCYNPIVYGISHPRYKAALYQRFPSLAC------GSGESG +SDVKSEASATTTMEEKPKIPEA-------------------------------------- +--------------------------------------------------- +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +------------------------------------------------------------ +----------MVESTTLVNQTWWY-----NPTVD------------IHPHWAKFDPIPDA +VYYSVGIFIGVVGIIGILGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAINGFPLK +TISAFM-KKWI--FGKVACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAASKKMSH +RRAFLMIIFVWMWSIVW-SVGPVFN-W-----GAYVPEGILTSCSFDYLS--TDPSTRSF +ILCMYFCGFMLPIIIIAFCYFNIVMSVSNH------------------------------ +------------------------------------------------------------ +-----------------------------EKEMAAMAKRLNAKELR--KAQAGASA---- +-------------------------EMKLAKISMVIITQFMLSWSPYAIIALLAQFGPAE +W---VTPYAAELPVLFAKASAIHNPIVYSVSHPKFREAIQTTFPWLLTCCQFDEKECEDA +NDAEEEVVASER--GGESRDAAQMKEMMAMMQKMQAQQAAYQPPPPPQGY--PPQGYPPQ +GAYPPPQGYPPQGYPPQGYPPQGYPPQGAPPQVEAPQGAPPQGVDNQAYQA +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +------------------------------------------------------------ +-----------MGRDLRDNETWWY-----NPSIV------------VHPHWREFDQVPDA +VYYSLGIFIGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNGFPLM +TISCFL-KKWI--FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSH +RRAFIMIIFVWLWSVLW-AIGPIFG-W-----GAYTLEGVLCNCSFDYIS--RDSTTRSN +ILCMFILGFFGPILIIFFCYFNIVMSVSNH------------------------------ +------------------------------------------------------------ +-----------------------------EKEMAAMAKRLNAKELR--KAQAGANA---- +-------------------------EMRLAKISIVIVSQFLLSWSPYAVVALLAQFGPLE +W---VTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETEDD +KDAETEIPAGESSDAAPSADAAQMKEMMAMMQKMQQQQAAY----PPQGYAPPPQGYPPQ +GY--PPQGYPPQGYPPQGYPP---PPQGAPPQ-GAPPAAPPQGVDNQAYQA +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +-----------------------------------------------------MPHLLSG +FLEVTASPAPTW------------DAPPDNVSGCGEQIN-----------------YGRV +EKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFV +SVTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNG +KCMAKMILSVWLLSASI-TLPPLFG-W-----AQNVNDDKVCLISQDF----------GY +TIYSTAVAFYIPMSVMLFMYYQIYKAAR-------------------------------- +------------------KSAAKHKFPGFPRVQPESVISL-------------------- +-----------------------------NGVVKLQKEVEECANLSRLL----------- +-------------KHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGT +SCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRPTSRSLLQCQYRNINRKLSAAGMH +EALKLAERPERSEFVLQNSDHCGKKGHDT------------------------------- +--------------------------------------------------- +> 31=p A47425 serotonin receptor 5HT-7 - rat +-----------------------------------------------------MPHLLSG +FLEVTASPAPTW------------DAPPDNVSGCGEQIN-----------------YGRV +EKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFV +SVTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNG +KCMAKMILSVWLLSASI-TLPPLFG-W-----AQNVNDDKVCLISQDF----------GY +TIYSTAVAFYIPMSVMLFMYYQIYKAAR-------------------------------- +------------------KSAAKHKFPGFPRVQPESVISL-------------------- +-----------------------------NGVVKLQKEVEECANLSRLL----------- +-------------KHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGT +SCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMH +EALKLAERPERSEFVLQNSDHCGKKGHDT------------------------------- +--------------------------------------------------- +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +----------MDVLSPGQ-------GN----------------------NTTSPPAPFET +GGNTTGISDVTV-----------------------------------------------S +YQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMA +ALYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTP +RRAAALISLTWLIGFLI-SIPPMLG-WRTPEDRSDPDA---CTISKDH----------GY +TIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRK--------------------------- +------------TVKKVEKTGADTRHGASPAPQPKKS-----------VNGESGSR---- +-----NWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAG--PT +PCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF-CES +SCH-MPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ---------- +------------------------------------------------------------ +--------------------------------------------------- +> 33=p A35181 serotonin receptor class 1A - rat +----------MDVFSFGQ-------GN----------------------NTTASQEPFGT +GGNVTSISDVTF-----------------------------------------------S +YQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMA +ALYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTP +RRAAALISLTWLIGFLI-SIPPMLG-WRTPEDRSDPDA---CTISKDH----------GY +TIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRK--------------------------- +------------TVRKVEKKGAGTSLGTSSAPPPKKS-----------LNGQPGSG---- +-----DWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESG--SN +SYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF-CES +SCH-MPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR---------- +------------------------------------------------------------ +--------------------------------------------------- +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +MANFTFGDLALDVARMGGLASTPSGLR----------------------STGLTTPGLSP +TGLVTSDFNDSYGLTGQFINGSHSSRSRDNASANDTSATN-----MTDDRYWSLTVYSHE +HLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLS +VVSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSA +RRILLMIMVVWIVALFI-SIPPLFG-WRDP--NNDPDKTGTCIISQDK----------GY +TIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSV +VSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSS----- +-----SERLKQIQIETAEAFANGCA----EEASIAMLERQ-CNNGKKISSNDTPYS---- +---------RTREKLELK------RERKAARTLAIITGAFLICWLPFFIIALIGPF-VDP +E-G-IPPFARSFVLWLGYFNSLLNPIIYTIFSPEFRSAFQKILFGKYRRGHR-------- +------------------------------------------------------------ +--------------------------------------------------- +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +MANFTFGDLALDVARMGGLASTPSGLR----------------------STGLTTPGLSP +TGLVTSDFNDSYGLTGQFINGSHSSRSRDNASANDTSATN-----MTDDRYWSLTVYSHE +HLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLS +VVSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSA +RRILLMIMVVWIVALFI-SIPPLFG-WRDP--NNDPDKTGTCIISQDK----------GY +TIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSV +VSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSS----- +-----SERLKQIQIETAEAFANGCA----EEASIAMLERQ-CNNGKKISSNDTPYS---- +---------RTREKLELK------RERKAARTLAIITGAFLICWLPFFIIALIGPF-VDP +E-G-IPPFARSFVLWLGYFNSLLNPIIYTIFSPEFRSAFQKILFGKYRRGHR-------- +------------------------------------------------------------ +--------------------------------------------------- +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +-MEGAEGQEELDWEAL--YLRLP--LQ----------------------NCSWNSTGWEP +NWNVTVVPNTTW---------WQASAPFDTPAALVRAAAK-------------------- +-----AVVLGLLILATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACLV-MPLG +AVYEVV-QRWT--LGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDYIHASTA +KRVGMMIACVWTVSFFV-CIAQLLG-WKDPDWNQRVSEDLRCVVSQDV----------GY +QIFATASSFYVPVLIILILYWRIYQTARKRIR---------------------------- +-----------------RRRGATARGGVGPPP---------VPAGGALVAGGGSGGIAAA +VVAVIGRPLPTISETTTTGFTNVSS----NNTS---PEKQSCANGLEADPPTTGYGAVAA +AYYPSLVRRKPKEAADSK------RERKAAKTLAIITGAFVACWLPFFVLAILVPT-CDC +E---VSPVLTSLSLWLGYFNSTLNPVIYTVFSPEFRHAFQRLLCGRRVRRRRAPQ----- +------------------------------------------------------------ +--------------------------------------------------- diff --git a/binaries/src/mafft/test/sample.fftnsi b/binaries/src/mafft/test/sample.fftnsi new file mode 100644 index 0000000..17e2714 --- /dev/null +++ b/binaries/src/mafft/test/sample.fftnsi @@ -0,0 +1,468 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +------------------------------------------------------------ +---------MNGTE--GDNFYVP----FSNKTGLARSPYEYPQYYLAEPWK--------- +YSALAAYMFFLILVGFPVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLFG-FTVTM +YTSMN-GYFV--FGPTMCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGN-FRFGNT +HAIMGVAFTWIMALAC-AAPPLVG-W-----SRYIPEGMQCSCGPDYYTLNPNFNNESYV +VYMFVVHFLVPFVIIFFCYGRLLCTV---------------------------------- +------------------------------------------------------------ +-------------------KEAAAAQQ-----------------------------ESAS +TQKA----------EKEVTRMVVLMVIGFLVCWVPYASVAFYIFT---HQGSD-FGATFM +TLPAFFAKSSALYNPVIYILMNKQFRNCMITTLCCGKN------PLGDDE--SGASTSKT +EVSSVS-TSPVSPA---------------------------------------------- +----------------------------------------- +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +------------------------------------------------------------ +---------MNGTE--GPNFYVP----FSNITGVVRSPFEQPQYYLAEPWQ--------- +FSMLAAYMFLLIVLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGG-FTTTL +YTSLH-GYFV--FGPTGCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSN-FRFGEN +HAIMGVAFTWVMALAC-AAPPLVG-W-----SRYIPEGMQCSCGIDYYTLKPEVNNESFV +IYMFVVHFTIPMIVIFFCYGQLVFTV---------------------------------- +------------------------------------------------------------ +-------------------KEAAAQQQ-----------------------------ESAT +TQKA----------EKEVTRMVIIMVIFFLICWLPYASVAMYIFT---HQGSN-FGPIFM +TLPAFFAKTASIYNPIIYIMMNKQFRNCMLTSLCCGKN------PLGDDE--ASATASKT +ETSQ------VAPA---------------------------------------------- +----------------------------------------- +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +------------------------------------------------------------ +---------MNGTE--GINFYVP----MSNKTGVVRSPFEYPQYYLAEPWK--------- +YRLVCCYIFFLISTGLPINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACFG-FTVTF +YTAWN-GYFV--FGPVGCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGN-FRFSAT +HAMMGIAFTWVMAFSC-AAPPLFG-W-----SRYMPEGMQCSCGPDYYTHNPDYHNESYV +LYMFVIHFIIPVVVIFFSYGRLICKV---------------------------------- +------------------------------------------------------------ +-------------------REAAAQQQ-----------------------------ESAT +TQKA----------EKEVTRMVILMVLGFMLAWTPYAVVAFWIFT---NKGAD-FTATLM +AVPAFFSKSSSLYNPIIYVLMNKQFRNCMITTICCGKN------PFGDEDVSSTVSQSKT +EVSSVS-SSQVSPA---------------------------------------------- +----------------------------------------- +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +------------------------------------------------------------ +---------MNGTE--GKNFYVP----MSNRTGLVRSPFEYPQYYLAEPWQ--------- +FKILALYLFFLMSMGLPINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCFG-FTVTF +YTAIN-GYFV--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-FKFSSS +HAFAGIAFTWVMALAC-AAPPLFG-W-----SRYIPEGMQCSCGPDYYTLNPDYNNESYV +IYMFVCHFILPVAVIFFTYGRLVCTV---------------------------------- +------------------------------------------------------------ +-------------------KAAAAQQQ-----------------------------DSAS +TQKA----------EREVTKMVILMVFGFLIAWTPYATVAAWIFF---NKGAD-FSAKFM +AIPAFFSKSSALYNPVIYVLLNKQFRNCMLTTIFCGKN------PLGDDE-SSTVSTSKT +EVSS------VSPA---------------------------------------------- +----------------------------------------- +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +------------------------------------------------------------ +---------MNGTE--GNNFYVP----LSNRTGLVRSPFEYPQYYLAEPWQ--------- +FKLLAVYMFFLICLGLPINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCFG-FTVTF +YTAIN-GYFA--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-FKFSST +HASAGIAFTWVMAMAC-AAPPLVG-W-----SRYIPEGIQCSCGPDYYTLNPEYNNESYV +LYMFICHFILPVTIIFFTYGRLVCTV---------------------------------- +------------------------------------------------------------ +-------------------KAAAAQQQ-----------------------------DSAS +TQKA----------EREVTKMVILMVLGFLVAWTPYATVAAWIFF---NKGAA-FSAQFM +AIPAFFSKTSALYNPVIYVLLNKQFRSCMLTTLFCGKN------PLGDEE-SSTVSTSKT +EVSS------VSPA---------------------------------------------- +----------------------------------------- +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +------------------------------------------------------------ +---------MKQVPEFHEDFYIPIPLDINNLS--AYSPFLVPQDHLGNQGI--------- +FMAMSVFMFFIFIGGASINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIFG-SPLSF +YSFFN-RYFI--FGATACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGN-FTFKTP +HAIAGCILPWISALAA-SLPPLFG-W-----SRYIPEGLQCSCGPDWYTTNNKYNNESYV +MFLFCFCFAVPFGTIVFCYGQLLITL---------------------------------- +------------------------------------------------------------ +-------------------KLAAKAQA-----------------------------DSAS +TQKA----------EREVTKMVVVMVLGFLVCWAPYASFSLWIVS---HRGEE-FDLRMA +TIPSCLSKASTVYNPVIYVLMNKQFRSCMM-KMVCGKN-------IEEDE--ASTSSQVT +QVSS------VAPEK--------------------------------------------- +----------------------------------------- +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +------------------------------------------------------------ +---------MRKMS--EEEFYL-----FKNISSV--GPWDGPQYHIAPVWA--------- +FYLQAAFMGTVFLIGFPLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIFS-VFPVF +VASCN-GYFV--FGRHVCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGN-FRFSSK +HALTVVLATWTIGIGV-SIPPFFG-W-----SRFIPEGLQCSCGPDWYTVGTKYRSESYT +WFLFIFCFIVPLSLICFSYTQLLRAL---------------------------------- +------------------------------------------------------------ +-------------------KAVAAQQQ-----------------------------ESAT +TQKA----------EREVSRMVVVMVGSFCVCYVPYAAFAMYMVN---NRNHG-LDLRLV +TIPSFFSKSACIYNPIIYCFMNKQFQACIM-KMVCGKA-------MTDES--DTCSSQKT +EVSTVS-STQVGPN---------------------------------------------- +----------------------------------------- +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +----------------------------------------------DLAETVIA-STISI +VNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-VRFDAK +LAIVGIAFSWIWAAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPGVQSYM +IVLMVTCCITPLSIIVLCYLQVWLAI---------------------------------- +------------------------------------------------------------ +-------------------RAVAKQQK-----------------------------ESES +TQKA----------EKEVTRMVVVMVLAFC------------------------------ +------------------------------------------------------------ +------------------------------------------------------------ +----------------------------------------- +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +----------------------------------------------------------MA +QQWSLQRLAGRHPQDSYEDSTQSSIFTYTNSNS-TRGPFEGPNYHIAPRWV--------- +YHLTSVWMIFVVIASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISV +VNQVY-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGN-VRFDAK +LAIVGIAFSWIWAAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPGVQSYM +IVLMVTCCITPLSIIVLCYLQVWLAI---------------------------------- +------------------------------------------------------------ +-------------------RAVAKQQK-----------------------------ESES +TQKA----------EKEVTRMVVVMVLAFCFCWGPYAFFACFAAA---NPGYP-FHPLMA +ALPAFFAKSATIYNPVIYVFMNRQFRNCILQLF-----------GKKVDDGSELSSASKT +EVSSV---SSVSPA---------------------------------------------- +----------------------------------------- +> 10== Z68193 1 human Red Opsin <>[] +----------------------------------------------------------MA +QQWSLQRLAGRHPQDSYEDSTQSSIFTYTNSNS-TRGPFEGPNYHIAPRWV--------- +YHLTSVWMIFVVTASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISI +VNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-VRFDAK +LAIVGIAFSWIWSAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPGVQSYM +IVLMVTCCIIPLAIIMLCYLQVWLAI---------------------------------- +------------------------------------------------------------ +-------------------RAVAKQQK-----------------------------ESES +TQKA----------EKEVTRMVVVMIFAYCVCWGPYTFFACFAAA---NPGYA-FHPLMA +ALPAYFAKSATIYNPVIYVFMNRQFRNCILQLF-----------GKKVDDGSELSSASKT +EVSSV---SSVSPA---------------------------------------------- +----------------------------------------- +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +----------------------------------------------------------MT +EAWNVAVFAARRSRD-DDDTTRGSVFTYTNTNN-TRGPFEGPNYHIAPRWV--------- +YNLVSFFMIIVVIASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLVA-STISV +FNQIF-GYFI--LGHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGN-IKFDSK +LAIIGIVFSWVWAWGW-SAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSVELGCQSFM +LTLMITCCFLPLFIIIVCYLQVWMAI---------------------------------- +------------------------------------------------------------ +-------------------RAVAAQQK-----------------------------ESES +TQKA----------EREVSRMVVVMIVAFCICWGPYASFVSFAAA---NPGYA-FHPLAA +ALPAYFAKSATIYNPVIYVFMNRQFRNCIMQLF-----------GKKVDDGSEASTTSRT +EVSSVS-NSSVAPA---------------------------------------------- +----------------------------------------- +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +-----------------------------------------------------------M +AAWEAAFAARRRHE--EEDTTRDSVFTYTNSNN-TRGPFEGPNYHIAPRWV--------- +YNLTSVWMIFVVAASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVIA-STISV +INQIS-GYFI--LGHPMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGN-IKFDGK +LAVAGILFSWLWSCAW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSDPGVQSYM +VVLMVTCCFFPLAIIILCYLQVWLAI---------------------------------- +------------------------------------------------------------ +-------------------RAVAAQQK-----------------------------ESES +TQKA----------EKEVSRMVVVMIVAYCFCWGPYTFFACFAAA---NPGYA-FHPLAA +ALPAYFAKSATIYNPIIYVFMNRQFRNCILQLF-----------GKKVDDGSEVST-SRT +EVSSVS-NSSVSPA---------------------------------------------- +----------------------------------------- +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +------------------------------------------------------------ +----------------------------MSSNSSQAPPNGTPGPFDGPQWP--YQAPQST +YVGVAVLMGTVVACASVVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLCG-SSVSL +SNNIN-GFFV--FGRRMCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGD-FQFQRR +HAVSGCAFTWGWALLW-SAPPLLG-W-----SSYVPEGLRTSCGPNWYTGGS--NNNSYI +LSLFVTCFVLPLSLILFSYTNLLLTL---------------------------------- +------------------------------------------------------------ +-------------------RAAAAQQK-----------------------------EADT +TQRA----------EREVTRMVIVMVMAFLLCWLPYSTFALVVAT---HKGII-IQPVLA +SLPSYFSKTATVYNPIIYVFMNKQFQSCLLEMLCCGYQ------PQRTGKASPGTPGPHA +DVTAAGLRNKVMPAHPV------------------------------------------- +----------------------------------------- +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +------------------------------------------------------MESGNV +SSSLFGNVSTALRPEARLSAE--------TRLLGWNVPPEELR-HIPEHWLTYPEPPESM +NYLLGTLYIFFTLMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK--TPIFI +YNSFH-QGYA--LGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG--KMTHG +KAIAMIIFIYMYATPW-VVACYTETW-----GRFVPEGYLTSCTFDYLT--DNFDTRLFV +ACIFFFSFVCPTTMITYYYSQIVGHVFSH------------------------------- +------------------------------------------------------------ +------------------EKALRDQAKKMNVESLRS-------------------NVDKN +KETA----------EIRIAKAAITICFLFFCSWTPYGVMSLIGAF---GDKTL-LTPGAT +MIPACACKMVACIDPFVYAISHPRYRMELQKRCPWLAL---------NEKAPESSAVAST +STTQEPQQTTAA------------------------------------------------ +----------------------------------------- +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +------------------------------------------------------MEYHNV +S-SVLGNVSSVLRPDARLSAE--------SRLLGWNVPPDELR-HIPEHWLIYPEPPESM +NYLLGTLYIFFTVISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK--TPIFI +YNSFH-QGYA--LGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG--KMTHG +KAIAMIIFIYLYATPW-VVACYTESW-----GRFVPEGYLTSCTFDYLT--DNFDTRLFV +ACIFFFSFVCPTTMITYYYSQIVGHVFSH------------------------------- +------------------------------------------------------------ +------------------EKALRDQAKKMNVDSLRS-------------------NVDKS +KEAA----------EIRIAKAAITICFLFFASWTPYGVMSLIGAF---GDKTL-LTPGAT +MIPACTCKMVACIDPFVYAISHPRYRMELQKRCPWLAI---------SEKAPESRAAIST +STTQEQQQTTAA------------------------------------------------ +----------------------------------------- +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +------------------------------------------------------ME---- +--PLCNASEPPLRPEARSSGNGD------LQFLGWNVPPDQIQ-YIPEHWLTQLEPPASM +HYMLGVFYIFLFCASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIF- +-NSFH-RGFAIYLGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFT +KAVIMNIIIWLYCTPW-VVLPLTQFW-----DRFVPEGYLTSCSFDYLS--DNFDTRLFV +GTIFFFSFVCPTLMILYYYSQIVGHVFSH------------------------------- +------------------------------------------------------------ +------------------EKALREQAKKMNVESLRS-------------------NVDKS +KETA----------EIRIAKAAITICFLFFVSWTPYGVMSLIGAF---GDKSL-LTQGAT +MIPACTCKLVACIDPFVYAISHPRYRLELQKRCPWLGV---------NEKSGEISSAQST +TTQEQ-QQTTAA------------------------------------------------ +----------------------------------------- +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +------------------------------------------------------MD---- +--ALCNASEPPLRPEARMSSGSDE-----LQFLGWNVPPDQIQ-YIPEHWLTQLEPPASM +HYMLGVFYIFLFFASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIFI +YNSFH-RGFA--LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFT +KAVIMNIIIWLYCTPW-VVLPLTQFW-----DRFVPEGYLTSCSFDYLS--DNFDTRLFV +GTIFLFSFVVPTLMILYYYSQIVGHVFNH------------------------------- +------------------------------------------------------------ +------------------EKALREQAKKMNVESLRS-------------------NVDKS +KETA----------EIRIAKAAITICFLFFVSWTPYGVMSLIGAF---GDKSL-LTPGAT +MIPACTCKLVACIEPFVYAISHPRYRMELQKRCPWLGV---------NEKSGEASSAQST +TTQEQTQQTSAA------------------------------------------------ +----------------------------------------- +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +------------------------------------------------------------ +---MTNATGPQMAYYGAASMDFGYPE---GVSIVDFVRPEIKP-YVHQHWYNYPPVNPMW +HYLLGVIYLFLGTVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTTN-VPFFT +YNCFSGGVWM--FSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNG-PKLTTG +KAVVFALISWVIAIGC-ALPPFFG-W-----GNYILEGILDSCSYDYLT--QDFNTFSYN +IFIFVFDYFLPAAIIVFSYVFIVKAIFAH------------------------------- +------------------------------------------------------------ +------------------EAAMRAQAKKMNVSTLRS--------------------NEAD +AQRA----------EIRIAKTALVNVSLWFICWTPYALISLKGVM---GDTSG-ITPLVS +TLPALLAKSCSCYNPFVYAISHPKYRLAITQHLPWFCV------HETETKSNDDSQSNST +VAQDKA------------------------------------------------------ +----------------------------------------- +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +------------------------------------------------------------ +---MANVTGPQMAFYGSGAATFGYPE---GMTVADFVPDRVKH-MVLDHWYNYPPVNPMW +HYLLGVVYLFLGVISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTTN-FPPFC +YNCFSGGRWM--FSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNG-PKLTQG +KATFMCGLAWVISVGW-SLPPFFG-W-----GSYTLEGILDSCSYDYFT--RDMNTITYN +ICIFIFDFFLPASVIVFSYVFIVKAIFAH------------------------------- +------------------------------------------------------------ +------------------EAAMRAQAKKMNVTNLRS--------------------NEAE +TQRA----------EIRIAKTALVNVSLWFICWTPYAAITIQGLL---GNAEG-ITPLLT +TLPALLAKSCSCYNPFVYAISHPKFRLAITQHLPWFCV------HEKDPNDVEENQSSNT +QTQEKS------------------------------------------------------ +----------------------------------------- +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +---------------------------------------------------------MES +FAVAAAQLGPHFA-----PLS--------NGSVVDKVTPDMAH-LISPYWNQFPAMDPIW +AKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMG +INLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTIP +LALGKM---------------------------YVPEGNLTSCGIDYLE--RDWNPRSYL +IFYSIFVYYIPLFLICYSYWFIIAAVSAH------------------------------- +------------------------------------------------------------ +------------------EKAMREQAKKMNVKSLRS--------------------SEDA +EKSA----------EGKLAKVALVTITLWFMAWTPYLVINCMGLF---KF-EG-LTPLNT +IWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVF------GKVDDGK-SSDAQSQA +TASEAESKA--------------------------------------------------- +----------------------------------------- +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +---------------------------------------------------------MES +FAVAAAQLGPHFA-----PLS--------NGSVVDKVTPDMAH-LISPYWNQFPAMDPIW +AKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMG +INLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTIP +LALGKIAYIWFMSSIW-CLAPAFG-W-----SRYVPEGNLTSCGIDYLE--RDWNPRSYL +IFYSIFVYYIPLFLICYSYWFIIAAVSAH------------------------------- +------------------------------------------------------------ +------------------EKAMREQAKKMNVKSLRS--------------------SEDA +EKSA----------EGKLAKVALVTITLWFMAWTPYLVINCMGLF---KF-EG-LTPLNT +IWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVF------GKVDDGK-SSDAQSQA +TASEAESKA--------------------------------------------------- +----------------------------------------- +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +---------------------------------------------------------MDS +FAAVATQLGPQFA-----APS--------NGSVVDKVTPDMAH-LISPYWDQFPAMDPIW +AKILTAYMIIIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMG +INLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-RPMTIP +LALGKIAYIWFMSTIWCCLAPVFG-W-----SRYVPEGNLTSCGIDYLE--RDWNPRSYL +IFYSIFVYYIPLFLICYSYWFIIAAVSAH------------------------------- +------------------------------------------------------------ +------------------EKAMREQAKKMNVKSLRS--------------------SEDA +DKSA----------EGKLAKVALVTISLWFMAWTPYLVINCMGLF---KF-EG-LTPLNT +IWGACFAKSAACYNPIVYGISHPKYRLALKEKCPCCVF------GKVDDGK-SSEAQSQA +TTSEAESKA--------------------------------------------------- +----------------------------------------- +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +----------------------------------------------------MERSHLPE +TPFDLAHSGPRFQ-----AQSSG------NGSVLDNVLPDMAH-LVNPYWSRFAPMDPMM +SKILGLFTLAIMIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMI +INFYY-ETWV--LGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGING-TPMTIK +TSIMKILFIWMMAVFW-TVMPLIG-W-----SAYVPEGNLTACSIDYMT--RMWNPRSYL +ITYSLFVYYTPLFLICYSYWFIIAAVAAH------------------------------- +------------------------------------------------------------ +------------------EKAMREQAKKMNVKSLRS--------------------SEDC +DKSA----------EGKLAKVALTTISLWFMAWTPYLVICYFGLF---KI-DG-LTPLTT +IWGATFAKTSAVYNPIVYGISHPKYRIVLKEKCPMCVF------GNTDEPKPDAPASDTE +TTSEADSKA--------------------------------------------------- +----------------------------------------- +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +----------------------------------------------------MERSLLPE +PPLAMALLGPRFE-----AQTGG------NRSVLDNVLPDMAP-LVNPHWSRFAPMDPTM +SKILGLFTLVILIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMI +INFYY-ETWV--LGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGING-TPMTIK +TSIMKIAFIWMMAVFW-TIMPLIG-W-----SSYVPEGNLTACSIDYMT--RQWNPRSYL +ITYSLFVYYTPLFMICYSYWFIIATVAAH------------------------------- +------------------------------------------------------------ +------------------EKAMRDQAKKMNVKSLRS--------------------SEDC +DKSA----------ENKLAKVALTTISLWFMAWTPYLIICYFGLF---KI-DG-LTPLTT +IWGATFAKTSAVYNPIVYGISHPNDRLVLKEKCPMCVC------GTTDEPKPDAPPSDTE +TTSEAESKD--------------------------------------------------- +----------------------------------------- +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +------------------------------------------------------------ +---MIAVSGPSYE-----AFSYGGQARFNNQTVVDKVPPDMLH-LIDANWYQYPPLNPMW +HGILGFVIGMLGFVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFCM-SPPMV +INCYY-ETWV--LGPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSG-KPLSIN +GALIRIIAIWLFSLGW-TIAPMFG-W-----NRYVPEGNMTACGTDYFN--RGLLSASYL +VCYGIWVYFVPLFLIIYSYWFIIQAVAAH------------------------------- +------------------------------------------------------------ +------------------EKNMREQAKKMNVASLRS--------------------SENQ +NTSA----------ECKLAKVALMTISLWFMAWTPYLVINFSGIF---NL-VK-ISPLFT +IWGSLFAKANAVYNPIVYGISHPKYRAALFAKFPSLAC-------AAEPSSDAVSTTSGT +TTVTDNEKSNA------------------------------------------------- +----------------------------------------- +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +------------------------------------------------------------ +-----MANQLSYS-----SLGWPYQP---NASVVDTMPKEMLY-MIHEHWYAFPPMNPLW +YSILGVAMIILGIICVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAFM-MPTMT +SNCFA-ETWI--LGPFMCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAA-APLTHK +KATLLLLFVWIWSGGW-TILPFFG-W-----SRYVPEGNLTSCTVDYLT--KDWSSASYV +VIYGLAVYFLPLITMIYCYFFIVHAVAEH------------------------------- +------------------------------------------------------------ +------------------EKQLREQAKKMNVASLRA-------------------NADQQ +KQSA----------ECRLAKVAMMTVGLWFMAWTPYLIISWAGVF---SSGTR-LTPLAT +IWGSVFAKANSCYNPIVYGISHPRYKAALYQRFPSLAC------GSGESGSDVKSEASAT +TTMEEKPKIPEA------------------------------------------------ +----------------------------------------- +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +------------------------------------------------------------ +----------MVESTTLVNQTWWY-----NPTVD-----------IHPHWAKFDPIPDAV +YYSVGIFIGVVGIIGILGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAINGFPLKT +ISAFM-KKWI--FGKVACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAASKKMSHR +RAFLMIIFVWMWSIVW-SVGPVFN-W-----GAYVPEGILTSCSFDYLS--TDPSTRSFI +LCMYFCGFMLPIIIIAFCYFNIVMSVSNH------------------------------- +------------------------------------------------------------ +------------------EKEMAAMAKRLNAKELR---------------------KAQA +GASA----------EMKLAKISMVIITQFMLSWSPYAIIALLAQF---GPAEW-VTPYAA +ELPVLFAKASAIHNPIVYSVSHPKFREAIQTTFPWLLTCCQFDEKECEDANDAEEEVVAS +ER--GGESRDAAQMKEMMAMMQKMQAQQAAYQPPPPPQGY--PPQGYPPQGAYPPPQGYP +PQGYPPQGYPPQGYPPQGAPPQVEAPQGAPPQGVDNQAYQA +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +------------------------------------------------------------ +-----------MGRDLRDNETWWY-----NPSIV-----------VHPHWREFDQVPDAV +YYSLGIFIGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNGFPLMT +ISCFL-KKWI--FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHR +RAFIMIIFVWLWSVLW-AIGPIFG-W-----GAYTLEGVLCNCSFDYIS--RDSTTRSNI +LCMFILGFFGPILIIFFCYFNIVMSVSNH------------------------------- +------------------------------------------------------------ +------------------EKEMAAMAKRLNAKELR---------------------KAQA +GANA----------EMRLAKISIVIVSQFLLSWSPYAVVALLAQF---GPLEW-VTPYAA +QLPVMFAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETEDDKDAETEIPAG +ESSDAAPSADAAQMKEMMAMMQKMQQQQAAY----PPQGYAPPPQGYPPQGY--PPQGYP +PQGYPPQGYPP---PPQGAPPQ-GAPPAAPPQGVDNQAYQA +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +-----------------------------------------------------MPHLLSG +FLEVTASPAPTWDAPPDNVSGCGEQINYGRVE---------------------------- +KVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVS +VTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGK +CMAKMILSVWLLSASI-TLPPLFG-W-----AQNVNDDKVCLISQDF----------GYT +IYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISL----------- +------------------------------------------------------------ +------------------NGVVKLQKEVEECANLSR-------------------LLKHE +RKNI-----SIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSC-IPLWVE +RTCLWLGYANSLINPFIYAFFNRDLRPTSRSLLQCQYRNINRKLSAAGMHEALKLAERPE +RSEFVLQNSDHCGKKGHDT----------------------------------------- +----------------------------------------- +> 31=p A47425 serotonin receptor 5HT-7 - rat +-----------------------------------------------------MPHLLSG +FLEVTASPAPTWDAPPDNVSGCGEQINYGRVE---------------------------- +KVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVS +VTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGK +CMAKMILSVWLLSASI-TLPPLFG-W-----AQNVNDDKVCLISQDF----------GYT +IYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISL----------- +------------------------------------------------------------ +------------------NGVVKLQKEVEECANLSR-------------------LLKHE +RKNI-----SIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSC-IPLWVE +RTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPE +RSEFVLQNSDHCGKKGHDT----------------------------------------- +----------------------------------------- +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +MDVLSPGQGN---------------------------------------NTTSPPAPFET +GGNTTGISDVTVSY---------------------------------------------- +QVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAA +LYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPR +RAAALISLTWLIGFLI-SIPPMLG-WRTP---EDRSDPDACTISKDH----------GYT +IYSTFGAFYIPLLLMLVLYGRIFRAARFRIRK---------------------------- +-----------TVKKVEKTGADTRHGASPAPQPKKS----------VNGESGSRNWRLGV +ESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCA--PASFERKN +ERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF---CESSCHMPTLLG +AIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ-------------------- +------------------------------------------------------------ +----------------------------------------- +> 33=p A35181 serotonin receptor class 1A - rat +MDVFSFGQGN---------------------------------------NTTASQEPFGT +GGNVTSISDVTFSY---------------------------------------------- +QVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAA +LYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPR +RAAALISLTWLIGFLI-SIPPMLG-WRTP---EDRSDPDACTISKDH----------GYT +IYSTFGAFYIPLLLMLVLYGRIFRAARFRIRK---------------------------- +-----------TVRKVEKKGAGTSLGTSSAPPPKKS----------LNGQPGSGDWRRCA +ENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYA--PACLERKN +ERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF---CESSCHMPALLG +AIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR-------------------- +------------------------------------------------------------ +----------------------------------------- +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +MANFTFGDLALDVARMGGLASTPSGLR----------------------STGLTTPGLSP +TGLVTSDFNDSYGLTGQFINGSHSSRSRDNASANDTSATN----MTDDRYWSLTVYSHEH +LVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSV +VSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSAR +RILLMIMVVWIVALFI-SIPPLFG-WRDP--NNDPDKTGTCIISQDK----------GYT +IFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVV +SDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSSSERLKQ +IQIETAEAFANGCA----EEASIAMLERQ-CNNGKK-------------------ISSND +TPYSRTREKLELKRERKAARTLAIITGAFLICWLPFFIIALIGPF---VDPEG-IPPFAR +SFVLWLGYFNSLLNPIIYTIFSPEFRSAFQKILFGKYRRGHR------------------ +------------------------------------------------------------ +----------------------------------------- +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +MANFTFGDLALDVARMGGLASTPSGLR----------------------STGLTTPGLSP +TGLVTSDFNDSYGLTGQFINGSHSSRSRDNASANDTSATN----MTDDRYWSLTVYSHEH +LVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSV +VSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSAR +RILLMIMVVWIVALFI-SIPPLFG-WRDP--NNDPDKTGTCIISQDK----------GYT +IFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVV +SDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSSSERLKQ +IQIETAEAFANGCA----EEASIAMLERQ-CNNGKK-------------------ISSND +TPYSRTREKLELKRERKAARTLAIITGAFLICWLPFFIIALIGPF---VDPEG-IPPFAR +SFVLWLGYFNSLLNPIIYTIFSPEFRSAFQKILFGKYRRGHR------------------ +------------------------------------------------------------ +----------------------------------------- +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +---------------------------MEGAEGQEELDWEALYLRLPLQNCSWNSTGWEP +NWNVTVVPNTTWWQ--------------------ASAPFDTPAALVR------------- +AAAKAVVLGLLILATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACLV-MPLGA +VYEVV-QRWT--LGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDYIHASTAK +RVGMMIACVWTVSFFV-CIAQLLG-WKDPDWNQRVSEDLRCVVSQDV----------GYQ +IFATASSFYVPVLIILILYWRIYQTARKRIRR---------------------------- +-----------------RRGATARGGVGPPPVPAGGALVA------GGGSGGIAAAVVAV +IGRPLPTISETTTTGFTNVSSNNTSPEKQSCANGLEADPPTTGYGAVAAAYYPSLVRRKP +KEAA------DSKRERKAAKTLAIITGAFVACWLPFFVLAILVPT---CDCE--VSPVLT +SLSLWLGYFNSTLNPVIYTVFSPEFRHAFQRLLCGRRVRRRRAPQ--------------- +------------------------------------------------------------ +----------------------------------------- diff --git a/binaries/src/mafft/test/sample.gins1 b/binaries/src/mafft/test/sample.gins1 new file mode 100644 index 0000000..3901982 --- /dev/null +++ b/binaries/src/mafft/test/sample.gins1 @@ -0,0 +1,468 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +--------------------MNGTE--GDNFYVPFSNKTG--LARSP------------- +-------------------------------YEYPQY-YLAEPW---------------- +------KYSALAAYMFFLILVGFPVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLF +G-FTVTMYTSMN-GYFV--FGPTMCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGN +F-RFGNTHAIMGVAFTWIMALAC-AAPPLVG-WS-----RYIPEGMQCSCGPDYYTLNPN +FNNESYVVYMFVVHFLVPFVIIFFCYGRLLCTVKEAAAAQQESA---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEKEVTRMVVLMVIGFLVCWVPYASVAFYIFT--HQGSD-FGATFMTLPAF +FAKSSALYNPVIYILMNKQFRNCMITTL-----CCGKNPLGDDE-SG-ASTSKTEVSSVS +T----------------------------------------------------------- +-----------------------------------SPV-------SP-A +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +--------------------MNGTE--GPNFYVPFSNITG--VVRSP------------- +-------------------------------FEQPQY-YLAEPW---------------- +------QFSMLAAYMFLLIVLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFG +G-FTTTLYTSLH-GYFV--FGPTGCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSN +F-RFGENHAIMGVAFTWVMALAC-AAPPLVG-WS-----RYIPEGMQCSCGIDYYTLKPE +VNNESFVIYMFVVHFTIPMIVIFFCYGQLVFTVKEAAAQQQESA---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----TTQKAEKEVTRMVIIMVIFFLICWLPYASVAMYIFT--HQGSN-FGPIFMTLPAF +FAKTASIYNPIIYIMMNKQFRNCMLTSL-----CCGKNPLGDDE-AS-ATASKTE----- +T----------------------------------------------------------- +-----------------------------------SQV-------AP-A +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +--------------------MNGTE--GINFYVPMSNKTG--VVRSP------------- +-------------------------------FEYPQY-YLAEPW---------------- +------KYRLVCCYIFFLISTGLPINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACF +G-FTVTFYTAWN-GYFV--FGPVGCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGN +F-RFSATHAMMGIAFTWVMAFSC-AAPPLFG-WS-----RYMPEGMQCSCGPDYYTHNPD +YHNESYVLYMFVIHFIIPVVVIFFSYGRLICKVREAAAQQQESA---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----TTQKAEKEVTRMVILMVLGFMLAWTPYAVVAFWIFT--NKGAD-FTATLMAVPAF +FSKSSSLYNPIIYVLMNKQFRNCMITTI-----CCGKNPFGDEDVSSTVSQSKTEVSSVS +S----------------------------------------------------------- +-----------------------------------SQV-------SP-A +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +--------------------MNGTE--GKNFYVPMSNRTG--LVRSP------------- +-------------------------------FEYPQY-YLAEPW---------------- +------QFKILALYLFFLMSMGLPINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCF +G-FTVTFYTAIN-GYFV--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS +F-KFSSSHAFAGIAFTWVMALAC-AAPPLFG-WS-----RYIPEGMQCSCGPDYYTLNPD +YNNESYVIYMFVCHFILPVAVIFFTYGRLVCTVKAAAAQQQDSA---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEREVTKMVILMVFGFLIAWTPYATVAAWIFF--NKGAD-FSAKFMAIPAF +FSKSSALYNPVIYVLLNKQFRNCMLTTI-----FCGKNPLGDDE-SSTVSTSKTEVSS-- +------------------------------------------------------------ +-------------------------------------V-------SP-A +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +--------------------MNGTE--GNNFYVPLSNRTG--LVRSP------------- +-------------------------------FEYPQY-YLAEPW---------------- +------QFKLLAVYMFFLICLGLPINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCF +G-FTVTFYTAIN-GYFA--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS +F-KFSSTHASAGIAFTWVMAMAC-AAPPLVG-WS-----RYIPEGIQCSCGPDYYTLNPE +YNNESYVLYMFICHFILPVTIIFFTYGRLVCTVKAAAAQQQDSA---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEREVTKMVILMVLGFLVAWTPYATVAAWIFF--NKGAA-FSAQFMAIPAF +FSKTSALYNPVIYVLLNKQFRSCMLTTL-----FCGKNPLGDEE-SSTVSTSKTEVSS-- +------------------------------------------------------------ +-------------------------------------V-------SP-A +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +--------------------MKQVPEFHEDFYIPIPLDINNLSAYSP------------- +-------------------------------FLVPQD-HLGNQG---------------- +------IFMAMSVFMFFIFIGGASINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIF +G-SPLSFYSFFN-RYFI--FGATACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGN +F-TFKTPHAIAGCILPWISALAA-SLPPLFG-WS-----RYIPEGLQCSCGPDWYTTNNK +YNNESYVMFLFCFCFAVPFGTIVFCYGQLLITLKLAAKAQADSA---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEREVTKMVVVMVLGFLVCWAPYASFSLWIVS--HRGEE-FDLRMATIPSC +LSKASTVYNPVIYVLMNKQFRSCMM-KM-----VCGKN-IEEDE-AS-TSSQVTQVSS-- +------------------------------------------------------------ +-------------------------------------V-------APEK +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +--------------------MRKMS--EEEFYL-FKNISS----VGP------------- +-------------------------------WDGPQY-HIAPVW---------------- +------AFYLQAAFMGTVFLIGFPLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIF +S-VFPVFVASCN-GYFV--FGRHVCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGN +F-RFSSKHALTVVLATWTIGIGV-SIPPFFG-WS-----RFIPEGLQCSCGPDWYTVGTK +YRSESYTWFLFIFCFIVPLSLICFSYTQLLRALKAVAAQQQESA---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----TTQKAEREVSRMVVVMVGSFCVCYVPYAAFAMYMVN--NRNHG-LDLRLVTIPSF +FSKSACIYNPIIYCFMNKQFQACIM-KM-----VCGKA-MTDES-DT-CSSQKTEVSTVS +S----------------------------------------------------------- +-----------------------------------TQV-------GP-N +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +-----------------------------------------------------DLAETVI +A-STISIVNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN +V-RFDAKLAIVGIAFSWIWAAVW-TAPPIFG-WS-----RYWPHGLKTSCGPDVFSGSSY +PGVQSYMIVLMVTCCITPLSIIVLCYLQVWLAIRAVAKQQKESE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEKEVTRMVVVMVLAFC---------------------------------- +------------------------------------------------------------ +------------------------------------------------------------ +------------------------------------------------- +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +MAQQWS-LQRLAGRHPQDSYEDSTQ--SSIFTYTNSNST-----RGP------------- +-------------------------------FEGPNY-HIAPRW---------------- +------VYHLTSVWMIFVVIASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVI +A-STISVVNQVY-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGN +V-RFDAKLAIVGIAFSWIWAAVW-TAPPIFG-WS-----RYWPHGLKTSCGPDVFSGSSY +PGVQSYMIVLMVTCCITPLSIIVLCYLQVWLAIRAVAKQQKESE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEKEVTRMVVVMVLAFCFCWGPYAFFACFAAA--NPGYP-FHPLMAALPAF +FAKSATIYNPVIYVFMNRQFRNCILQLF-------GKKVDDGSE-LS--SASKTEVSSV- +------------------------------------------------------------ +-----------------------------------SSV-------SP-A +> 10== Z68193 1 human Red Opsin <>[] +MAQQWS-LQRLAGRHPQDSYEDSTQ--SSIFTYTNSNST-----RGP------------- +-------------------------------FEGPNY-HIAPRW---------------- +------VYHLTSVWMIFVVTASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVI +A-STISIVNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN +V-RFDAKLAIVGIAFSWIWSAVW-TAPPIFG-WS-----RYWPHGLKTSCGPDVFSGSSY +PGVQSYMIVLMVTCCIIPLAIIMLCYLQVWLAIRAVAKQQKESE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEKEVTRMVVVMIFAYCVCWGPYTFFACFAAA--NPGYA-FHPLMAALPAY +FAKSATIYNPVIYVFMNRQFRNCILQLF-------GKKVDDGSE-LS--SASKTEVSSV- +------------------------------------------------------------ +-----------------------------------SSV-------SP-A +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +MTEAWNVAVFAARRSRDD--DDTTR--GSVFTYTNTNNT-----RGP------------- +-------------------------------FEGPNY-HIAPRW---------------- +------VYNLVSFFMIIVVIASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLV +A-STISVFNQIF-GYFI--LGHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGN +I-KFDSKLAIIGIVFSWVWAWGW-SAPPIFG-WS-----RYWPHGLKTSCGPDVFSGSVE +LGCQSFMLTLMITCCFLPLFIIIVCYLQVWMAIRAVAAQQKESE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEREVSRMVVVMIVAFCICWGPYASFVSFAAA--NPGYA-FHPLAAALPAY +FAKSATIYNPVIYVFMNRQFRNCIMQLF-------GKKVDDGSE-AS--TTSRTEVSSVS +N----------------------------------------------------------- +-----------------------------------SSV-------AP-A +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +MA-AWE-AAFAARRRHEE--EDTTR--DSVFTYTNSNNT-----RGP------------- +-------------------------------FEGPNY-HIAPRW---------------- +------VYNLTSVWMIFVVAASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVI +A-STISVINQIS-GYFI--LGHPMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGN +I-KFDGKLAVAGILFSWLWSCAW-TAPPIFG-WS-----RYWPHGLKTSCGPDVFSGSSD +PGVQSYMVVLMVTCCFFPLAIIILCYLQVWLAIRAVAAQQKESE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----STQKAEKEVSRMVVVMIVAYCFCWGPYTFFACFAAA--NPGYA-FHPLAAALPAY +FAKSATIYNPIIYVFMNRQFRNCILQLF-------GKKVDDGSE-VS--T-SRTEVSSVS +N----------------------------------------------------------- +-----------------------------------SSV-------SP-A +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +------------------------M--SSNSSQAPPNGT-----PGP------------- +-------------------------------FDGPQWPYQAPQS---------------- +------TYVGVAVLMGTVVACASVVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLC +G-SSVSLSNNIN-GFFV--FGRRMCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGD +F-QFQRRHAVSGCAFTWGWALLW-SAPPLLG-WS-----SYVPEGLRTSCGPNWYTGGSN +--NNSYILSLFVTCFVLPLSLILFSYTNLLLTLRAAAAQQKEAD---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-----TTQRAEREVTRMVIVMVMAFLLCWLPYSTFALVVAT--HKGII-IQPVLASLPSY +FSKTATVYNPIIYVFMNKQFQSCLLEML-----CCGYQPQRTGK-AS--PGTPGPHADVT +A----------------------------------------------------------- +-----------------------------------AGLRNKVMPAHP-V +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +MESGNVSSSLFGNVSTALRPE----ARLSA---E---TRLLGWNVPP------------- +-------------------------------EELR---HIPEHWLTYPE----------- +--PPESMNYLLGTLYIFFTLMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK +--TPIFIYNSFH-QGYA--LGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG +--KMTHGKAIAMIIFIYMYATPW-VVACYTETWG-----RFVPEGYLTSCTFDYLTDN-- +FDTRLFVACIFFFSFVCPTTMITYYYSQIVGHVFSHEKALRDQAKKMNVESLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKNKETAEIRIAKAAITICFLFFCSWTPYGVMSLIGAF--GDKTL-LTPGATMIPAC +ACKMVACIDPFVYAISHPRYRMELQKRCPWL--ALNEKAPESSA----VASTST---TQE +P----------------------------------------------------------- +-----------------------------------QQT-------TA-A +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +MEYHNVSSVL-GNVSSVLRPD----ARLSA---E---SRLLGWNVPP------------- +-------------------------------DELR---HIPEHWLIYPE----------- +--PPESMNYLLGTLYIFFTVISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK +--TPIFIYNSFH-QGYA--LGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG +--KMTHGKAIAMIIFIYLYATPW-VVACYTESWG-----RFVPEGYLTSCTFDYLTDN-- +FDTRLFVACIFFFSFVCPTTMITYYYSQIVGHVFSHEKALRDQAKKMNVDSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKSKEAAEIRIAKAAITICFLFFASWTPYGVMSLIGAF--GDKTL-LTPGATMIPAC +TCKMVACIDPFVYAISHPRYRMELQKRCPWL--AISEKAPESRA----AISTST---TQE +Q----------------------------------------------------------- +-----------------------------------QQT-------TA-A +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +ME------PLCNASEPPLRPE----AR-SSGNGD---LQFLGWNVPP------------- +-------------------------------DQIQ---YIPEHWLTQLE----------- +--PPASMHYMLGVFYIFLFCASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK +--APIF--NSFH-RGFAIYLGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR +--NMTFTKAVIMNIIIWLYCTPW-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDN-- +FDTRLFVGTIFFFSFVCPTLMILYYYSQIVGHVFSHEKALREQAKKMNVESLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKSKETAEIRIAKAAITICFLFFVSWTPYGVMSLIGAF--GDKSL-LTQGATMIPAC +TCKLVACIDPFVYAISHPRYRLELQKRCPWL--GVNEKSGEISS----AQSTTT---QEQ +------------------------------------------------------------ +-----------------------------------QQT-------TA-A +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +MD------ALCNASEPPLRPE----ARMSSGSDE---LQFLGWNVPP------------- +-------------------------------DQIQ---YIPEHWLTQLE----------- +--PPASMHYMLGVFYIFLFFASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK +--APIFIYNSFH-RGFA--LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR +--NMTFTKAVIMNIIIWLYCTPW-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDN-- +FDTRLFVGTIFLFSFVVPTLMILYYYSQIVGHVFNHEKALREQAKKMNVESLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKSKETAEIRIAKAAITICFLFFVSWTPYGVMSLIGAF--GDKSL-LTPGATMIPAC +TCKLVACIEPFVYAISHPRYRMELQKRCPWL--GVNEKSGEASS----AQSTTT---QEQ +T----------------------------------------------------------- +-----------------------------------QQT-------SA-A +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +MT-----------NATGPQMAYYGAASMDFGYPE---GVSIVDFVRP------------- +-------------------------------EIKP---YVHQHWYNYPP----------- +--VNPMWHYLLGVIYLFLGTVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTT +N-VPFFTYNCFSGGVWM--FSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNG +P-KLTTGKAVVFALISWVIAIGC-ALPPFFG-WG-----NYILEGILDSCSYDYLTQD-- +FNTFSYNIFIFVFDYFLPAAIIVFSYVFIVKAIFAHEAAMRAQAKKMNVSTLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-NEADAQRAEIRIAKTALVNVSLWFICWTPYALISLKGVM--GDTSG-ITPLVSTLPAL +LAKSCSCYNPFVYAISHPKYRLAITQHLPWF--CVHETETKSND----DSQSNS---TVA +Q----------------------------------------------------------- +---------------------------------------------DK-A +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +MA-----------NVTGPQMAFYGSGAATFGYPE---GMTVADFVPD------------- +-------------------------------RVKH---MVLDHWYNYPP----------- +--VNPMWHYLLGVVYLFLGVISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTT +N-FPPFCYNCFSGGRWM--FSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNG +P-KLTQGKATFMCGLAWVISVGW-SLPPFFG-WG-----SYTLEGILDSCSYDYFTRD-- +MNTITYNICIFIFDFFLPASVIVFSYVFIVKAIFAHEAAMRAQAKKMNVTNLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-NEAETQRAEIRIAKTALVNVSLWFICWTPYAAITIQGLL--GNAEG-ITPLLTTLPAL +LAKSCSCYNPFVYAISHPKFRLAITQHLPWF--CVHEKDPNDVE----ENQSSN---TQT +Q----------------------------------------------------------- +---------------------------------------------EK-S +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +ME-----SFAVAAAQLGPHFA-----PLS--------NGSVVDKVTP------------- +-------------------------------DMAH---LISPYWNQFPA----------- +--MDPIWAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMIT +N-TPMMGINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG +R-PMTIPLALGKM---------------------------YVPEGNLTSCGIDYLERD-- +WNPRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDAEKSAEGKLAKVALVTITLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGAC +FAKSAACYNPIVYGISHPKYRLALKEKCPCC--VFGKVDDGKSS----DAQSQA-TASEA +E----------------------------------------------------------- +---------------------------------------------SK-A +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +ME-----SFAVAAAQLGPHFA-----PLS--------NGSVVDKVTP------------- +-------------------------------DMAH---LISPYWNQFPA----------- +--MDPIWAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMIT +N-TPMMGINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG +R-PMTIPLALGKIAYIWFMSSIW-CLAPAFG-WS-----RYVPEGNLTSCGIDYLERD-- +WNPRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDAEKSAEGKLAKVALVTITLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGAC +FAKSAACYNPIVYGISHPKYRLALKEKCPCC--VFGKVDDGKSS----DAQSQA-TASEA +E----------------------------------------------------------- +---------------------------------------------SK-A +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +MD-----SFAAVATQLGPQFA-----APS--------NGSVVDKVTP------------- +-------------------------------DMAH---LISPYWDQFPA----------- +--MDPIWAKILTAYMIIIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMIT +N-TPMMGINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG +R-PMTIPLALGKIAYIWFMSTIWCCLAPVFG-WS-----RYVPEGNLTSCGIDYLERD-- +WNPRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDADKSAEGKLAKVALVTISLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGAC +FAKSAACYNPIVYGISHPKYRLALKEKCPCC--VFGKVDDGKSS----EAQSQA-TTSEA +E----------------------------------------------------------- +---------------------------------------------SK-A +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +MERSHLPETPFDLAHSGPRFQ-----AQSSG------NGSVLDNVLP------------- +-------------------------------DMAH---LVNPYWSRFAP----------- +--MDPMMSKILGLFTLAIMIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMAS +Q-SPVMIINFYY-ETWV--LGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGING +T-PMTIKTSIMKILFIWMMAVFW-TVMPLIG-WS-----AYVPEGNLTACSIDYMTRM-- +WNPRSYLITYSLFVYYTPLFLICYSYWFIIAAVAAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDCDKSAEGKLAKVALTTISLWFMAWTPYLVICYFGLF--KI-DG-LTPLTTIWGAT +FAKTSAVYNPIVYGISHPKYRIVLKEKCPMC--VFGNTDEPKPD----APASDTETTSEA +D----------------------------------------------------------- +---------------------------------------------SK-A +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +MERSLLPEPPLAMALLGPRFE-----AQTGG------NRSVLDNVLP------------- +-------------------------------DMAP---LVNPHWSRFAP----------- +--MDPTMSKILGLFTLVILIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMAS +Q-SPVMIINFYY-ETWV--LGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGING +T-PMTIKTSIMKIAFIWMMAVFW-TIMPLIG-WS-----SYVPEGNLTACSIDYMTRQ-- +WNPRSYLITYSLFVYYTPLFMICYSYWFIIATVAAHEKAMRDQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDCDKSAENKLAKVALTTISLWFMAWTPYLIICYFGLF--KI-DG-LTPLTTIWGAT +FAKTSAVYNPIVYGISHPNDRLVLKEKCPMC--VCGTTDEPKPD----APPSDTETTSEA +E----------------------------------------------------------- +---------------------------------------------SK-D +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +MI-----------AVSGPSYE-----AFSYGGQARFNNQTVVDKVPP------------- +-------------------------------DMLH---LIDANWYQYPP----------- +--LNPMWHGILGFVIGMLGFVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFC +M-SPPMVINCYY-ETWV--LGPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSG +K-PLSINGALIRIIAIWLFSLGW-TIAPMFG-WN-----RYVPEGNMTACGTDYFNRG-- +LLSASYLVCYGIWVYFVPLFLIIYSYWFIIQAVAAHEKNMREQAKKMNVASLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SENQNTSAECKLAKVALMTISLWFMAWTPYLVINFSGIF--NL-VK-ISPLFTIWGSL +FAKANAVYNPIVYGISHPKYRAALFAKFPSL--AC-AAEPSSDA----VSTTSG-TTTVT +D----------------------------------------------------------- +----------------------------------NEK--------SN-A +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +M-------------ANQLSYS-----SLGWPYQP---NASVVDTMPK------------- +-------------------------------EMLY---MIHEHWYAFPP----------- +--MNPLWYSILGVAMIILGIICVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAF +M-MPTMTSNCFA-ETWI--LGPFMCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAA +A-PLTHKKATLLLLFVWIWSGGW-TILPFFG-WS-----RYVPEGNLTSCTVDYLTKD-- +WSSASYVVIYGLAVYFLPLITMIYCYFFIVHAVAEHEKQLREQAKKMNVASLR------- +------------------------------------------------------------ +------------------------------------------------------------ +ANADQQKQSAECRLAKVAMMTVGLWFMAWTPYLIISWAGVF--SSGTR-LTPLATIWGSV +FAKANSCYNPIVYGISHPRYKAALYQRFPSL--ACGSGESGSDV----KSEASA-TTTME +E----------------------------------------------------------- +----------------------------------KPKI-------PE-A +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +MV-------------ESTTLV-----NQTWWY-----NPTV------------------- +--------------------------------------DIHPHWAKFDP----------- +--IPDAVYYSVGIFIGVVGIIGILGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAI +NGFPLKTISAFM-KKWI--FGKVACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAA +SKKMSHRRAFLMIIFVWMWSIVW-SVGPVFN-WG-----AYVPEGILTSCSFDYLSTD-- +PSTRSFILCMYFCGFMLPIIIIAFCYFNIVMSVSNHEKEMAAMAKRLNAKELR------- +------------------------------------------------------------ +------------------------------------------------------------ +K-AQ-AGASAEMKLAKISMVIITQFMLSWSPYAIIALLAQF--GPAEW-VTPYAAELPVL +FAKASAIHNPIVYSVSHPKFREAIQTTFPWLLTCCQFDEKECED----ANDAEEEVVASE +R--GGESRDAAQMKEMMAMMQKMQAQQAAYQP---PPPPQGYPPQGYPPQGAYPPPQGYP +PQGYPPQGYPPQGYPPQGAPPQVEAPQGAPPQGVDNQA-------YQ-A +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +MG-------------RDLR-D-----NETWWY-----NPSI------------------- +--------------------------------------VVHPHWREFDQ----------- +--VPDAVYYSLGIFIGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLV +NGFPLMTISCFL-KKWI--FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAA +SKKMSHRRAFIMIIFVWLWSVLW-AIGPIFG-WG-----AYTLEGVLCNCSFDYISRD-- +STTRSNILCMFILGFFGPILIIFFCYFNIVMSVSNHEKEMAAMAKRLNAKELR------- +------------------------------------------------------------ +------------------------------------------------------------ +K-AQ-AGANAEMRLAKISIVIVSQFLLSWSPYAVVALLAQF--GPLEW-VTPYAAQLPVM +FAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETED----DKDAETEIPAGE +SSDAAPSADAAQMKEMMAMMQKMQQQQAAYPPQGYAPPPQGYPPQGYPPQGY--PPQGYP +PQGYPP---PPQGAPPQGAPP------AAPPQGVDNQA-------YQ-A +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +------------------------------------------------------------ +-MPHLLSGFL---------------------EVTAS---PAPTW---DAPPDNVSGCGEQ +INYGRVEKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVA +V-MPFVSVTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTY +PVRQNGKCMAKMILSVWLLSASI-TLPPLFG-WA-----QNVNDDKVCLISQDF------ +----GYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKF--------------PGFP +RVQPESVISLNG------------------------------------------------ +----VVKLQKE------------------VEECAN------------------LSRLLKH +ERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLW +LGYANSLINPFIYAFFNRDLRPTSRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFV +L----------------------------------------------------------- +-----------------------------------QNSDHCGKKGHD-T +> 31=p A47425 serotonin receptor 5HT-7 - rat +------------------------------------------------------------ +-MPHLLSGFL---------------------EVTAS---PAPTW---DAPPDNVSGCGEQ +INYGRVEKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVA +V-MPFVSVTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTY +PVRQNGKCMAKMILSVWLLSASI-TLPPLFG-WA-----QNVNDDKVCLISQDF------ +----GYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKF--------------PGFP +RVQPESVISLNG------------------------------------------------ +----VVKLQKE------------------VEECAN------------------LSRLLKH +ERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLW +LGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFV +L----------------------------------------------------------- +-----------------------------------QNSDHCGKKGHD-T +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +MDVLSPG----------------------------------------------------- +--------------------QGNNT------TSPPAPFETGGNTTGISD----------- +--VTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVL +V-LPMAALYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDY +VNKRTPRRAAALISLTWLIGFLI-SIPPMLG-WRTPEDRSDPD---ACTISKDH------ +----GYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQ +PKK-----SVNG--ESGSRNWRLGVESKAGGALCANGAVRQGDDGAAL--EVIEVHRVGN +SKEHLPLPSEAGPTPCAPAS------------------FERKNERNA------------- +EAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF-CESSCH-MPTLLGAIINW +LGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKF---------------------------- +------------------------------------------------------------ +-------------------------------------------CR---Q +> 33=p A35181 serotonin receptor class 1A - rat +MDVFSFG----------------------------------------------------- +--------------------QGNNT------TASQEPFGTGGNVTSISD----------- +--VTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVL +V-LPMAALYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDY +VNKRTPRRAAALISLTWLIGFLI-SIPPMLG-WRTPEDRSDPD---ACTISKDH------ +----GYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPP +PKK-----SLNG--QPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATL--EVIEVHRVGN +SKEHLPLPSESGSNSYAPAC------------------LERKNERNA------------- +EAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF-CESSCH-MPALLGAIINW +LGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKF---------------------------- +------------------------------------------------------------ +-------------------------------------------CR---R +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRD-----------NASANDT------SATNM---TDDRYWSLTV----------- +--YSHEHLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVL +V-MPLSVVSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDY +IRRRSARRILLMIMVVWIVALFI-SIPPLFG-WRDPNN--DPDKTGTCIISQDK------ +----GYTIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASP +KTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSS +SSERLKQIQIETAEAFANGCAEEASIAMLERQCNNGKKISSNDTPYS------------- +RTREKLELKRERKAARTLAIITGAFLICWLPFFIIALIGPF-VDPE-G-IPPFARSFVLW +LGYFNSLLNPIIYTIFSPEFRSAFQKILFGKY---------------------------- +------------------------------------------------------------ +-------------------------------------------RRGH-R +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRD-----------NASANDT------SATNM---TDDRYWSLTV----------- +--YSHEHLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVL +V-MPLSVVSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDY +IRRRSARRILLMIMVVWIVALFI-SIPPLFG-WRDPNN--DPDKTGTCIISQDK------ +----GYTIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASP +KTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSS +SSERLKQIQIETAEAFANGCAEEASIAMLERQCNNGKKISSNDTPYS------------- +RTREKLELKRERKAARTLAIITGAFLICWLPFFIIALIGPF-VDPE-G-IPPFARSFVLW +LGYFNSLLNPIIYTIFSPEFRSAFQKILFGKY---------------------------- +------------------------------------------------------------ +-------------------------------------------RRGH-R +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +M--------------------------------------------------------EGA +EGQEELDWEALYLRLPLQNCSWNSTGWEPNWNVTVV---PNTTWWQASAPFDTP------ +--AALVRAAAKAVVLGLLILATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACL +V-MPLGAVYEVV-QRWT--LGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDY +IHASTAKRVGMMIACVWTVSFFV-CIAQLLG-WKDPDWNQRVSEDLRCVVSQDV------ +----GYQIFATASSFYVPVLIILILYWRIYQTARKRIRR------RRGATARGGVGPPPV +PAG---------------------------------GALVAGGGSGGIAAAVVAV----- +IGRPLPTISETTTTGFTNVSSNNTSPE--KQSCANGLEADPPTTGYGAVAAAYYPSLVRR +KPKEAADSKRERKAAKTLAIITGAFVACWLPFFVLAILVPT-CD--CE-VSPVLTSLSLW +LGYFNSTLNPVIYTVFSPEFRHAFQRLLCGRR---------------------------- +------------------------------------------------------------ +----------------------------------------VRRRRAP-Q diff --git a/binaries/src/mafft/test/sample.ginsi b/binaries/src/mafft/test/sample.ginsi new file mode 100644 index 0000000..d632978 --- /dev/null +++ b/binaries/src/mafft/test/sample.ginsi @@ -0,0 +1,468 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +M-------------------NGTE--GDNFYVPFSNKTGLA--RSPYEYPQY-YL----- +------------------------------------------------------------ +--AEPWKYSALAAYMFFLILVGFPVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLF +G-FTVTMYTSMN-GYFV--FGPTMCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGN +F-RFGNTHAIMGVAFTWIMALAC-AAPPLV-GWS-----RYIPEGMQCSCGPDYYTLNPN +FNNESYVVYMFVVHFLVPFVIIFFCYGRLLCTVKEAAAAQQ------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESASTQKAEKEVTRMVVLMVIGFLVCWVPYASVAFYIFT--HQGSD-FGATFMTLPAF +FAKSSALYNPVIYILMNKQFRNCMITTL-----CCGKNPLGDDE--SGASTSKTEVSSVS +T----------------------------------------------------------- +-----------------------------------SPVSPA +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +M-------------------NGTE--GPNFYVPFSNITGVV--RSPFEQPQY-YL----- +------------------------------------------------------------ +--AEPWQFSMLAAYMFLLIVLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFG +G-FTTTLYTSLH-GYFV--FGPTGCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSN +F-RFGENHAIMGVAFTWVMALAC-AAPPLV-GWS-----RYIPEGMQCSCGIDYYTLKPE +VNNESFVIYMFVVHFTIPMIVIFFCYGQLVFTVKEAAAQQQ------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESATTQKAEKEVTRMVIIMVIFFLICWLPYASVAMYIFT--HQGSN-FGPIFMTLPAF +FAKTASIYNPIIYIMMNKQFRNCMLTSL-----CCGKNPLGDDE--ASATASKTET---- +------------------------------------------------------------ +-----------------------------------SQVAPA +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +M-------------------NGTE--GINFYVPMSNKTGVV--RSPFEYPQY-YL----- +------------------------------------------------------------ +--AEPWKYRLVCCYIFFLISTGLPINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACF +G-FTVTFYTAWN-GYFV--FGPVGCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGN +F-RFSATHAMMGIAFTWVMAFSC-AAPPLF-GWS-----RYMPEGMQCSCGPDYYTHNPD +YHNESYVLYMFVIHFIIPVVVIFFSYGRLICKVREAAAQQQ------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESATTQKAEKEVTRMVILMVLGFMLAWTPYAVVAFWIFT--NKGAD-FTATLMAVPAF +FSKSSSLYNPIIYVLMNKQFRNCMITTI-----CCGKNPFGDEDVSSTVSQSKTEVSSVS +S----------------------------------------------------------- +-----------------------------------SQVSPA +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +M-------------------NGTE--GKNFYVPMSNRTGLV--RSPFEYPQY-YL----- +------------------------------------------------------------ +--AEPWQFKILALYLFFLMSMGLPINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCF +G-FTVTFYTAIN-GYFV--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS +F-KFSSSHAFAGIAFTWVMALAC-AAPPLF-GWS-----RYIPEGMQCSCGPDYYTLNPD +YNNESYVIYMFVCHFILPVAVIFFTYGRLVCTVKAAAAQQQ------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--DSASTQKAEREVTKMVILMVFGFLIAWTPYATVAAWIFF--NKGAD-FSAKFMAIPAF +FSKSSALYNPVIYVLLNKQFRNCMLTTI-----FCGKNPLGDDE-SSTVSTSKTEVSS-- +------------------------------------------------------------ +-------------------------------------VSPA +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +M-------------------NGTE--GNNFYVPLSNRTGLV--RSPFEYPQY-YL----- +------------------------------------------------------------ +--AEPWQFKLLAVYMFFLICLGLPINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCF +G-FTVTFYTAIN-GYFA--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS +F-KFSSTHASAGIAFTWVMAMAC-AAPPLV-GWS-----RYIPEGIQCSCGPDYYTLNPE +YNNESYVLYMFICHFILPVTIIFFTYGRLVCTVKAAAAQQQ------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--DSASTQKAEREVTKMVILMVLGFLVAWTPYATVAAWIFF--NKGAA-FSAQFMAIPAF +FSKTSALYNPVIYVLLNKQFRSCMLTTL-----FCGKNPLGDEE-SSTVSTSKTEVSS-- +------------------------------------------------------------ +-------------------------------------VSPA +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +M-------------------KQVPEFHEDFYIPIPLDINNLSAYSPFLVPQD-HL----- +------------------------------------------------------------ +--GNQGIFMAMSVFMFFIFIGGASINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIF +G-SPLSFYSFFN-RYFI--FGATACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGN +F-TFKTPHAIAGCILPWISALAA-SLPPLF-GWS-----RYIPEGLQCSCGPDWYTTNNK +YNNESYVMFLFCFCFAVPFGTIVFCYGQLLITLKLAAKAQA------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--DSASTQKAEREVTKMVVVMVLGFLVCWAPYASFSLWIVS--HRGEE-FDLRMATIPSC +LSKASTVYNPVIYVLMNKQFRSCMMKMV------CGKNIEEDEA---STSSQVTQVSSVA +P----------------------------------------------------------- +---------------------------------------EK +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +M-------------------RKMS--EEEFYLFKNISS-----VGPWDGPQY-HI----- +------------------------------------------------------------ +--APVWAFYLQAAFMGTVFLIGFPLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIF +S-VFPVFVASCN-GYFV--FGRHVCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGN +F-RFSSKHALTVVLATWTIGIGV-SIPPFF-GWS-----RFIPEGLQCSCGPDWYTVGTK +YRSESYTWFLFIFCFIVPLSLICFSYTQLLRALKAVAAQQQ------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESATTQKAEREVSRMVVVMVGSFCVCYVPYAAFAMYMVN--NRNHG-LDLRLVTIPSF +FSKSACIYNPIIYCFMNKQFQACIMKMV------CGKAMTDESD---TCSSQKTEVSTVS +S----------------------------------------------------------- +-----------------------------------TQVGPN +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +-----------------------------------------------------DLAETVI +A-STISIVNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN +V-RFDAKLAIVGIAFSWIWAAVW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSY +PGVQSYMIVLMVTCCITPLSIIVLCYLQVWLAIRAVAKQQK------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESESTQKAEKEVTRMVVVMVLAFC---------------------------------- +------------------------------------------------------------ +------------------------------------------------------------ +----------------------------------------- +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +MAQQWSLQRLAGRHPQDSYEDSTQ--SSIFTYTNSNST-----RGPFEGPNY-HI----- +------------------------------------------------------------ +--APRWVYHLTSVWMIFVVIASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVI +A-STISVVNQVY-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGN +V-RFDAKLAIVGIAFSWIWAAVW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSY +PGVQSYMIVLMVTCCITPLSIIVLCYLQVWLAIRAVAKQQK------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESESTQKAEKEVTRMVVVMVLAFCFCWGPYAFFACFAAA--NPGYP-FHPLMAALPAF +FAKSATIYNPVIYVFMNRQFRNCILQLF-------GKKVDDGSE-LS--SASKTEVSSV- +------------------------------------------------------------ +-----------------------------------SSVSPA +> 10== Z68193 1 human Red Opsin <>[] +MAQQWSLQRLAGRHPQDSYEDSTQ--SSIFTYTNSNST-----RGPFEGPNY-HI----- +------------------------------------------------------------ +--APRWVYHLTSVWMIFVVTASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVI +A-STISIVNQVS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN +V-RFDAKLAIVGIAFSWIWSAVW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSY +PGVQSYMIVLMVTCCIIPLAIIMLCYLQVWLAIRAVAKQQK------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESESTQKAEKEVTRMVVVMIFAYCVCWGPYTFFACFAAA--NPGYA-FHPLMAALPAY +FAKSATIYNPVIYVFMNRQFRNCILQLF-------GKKVDDGSE-LS--SASKTEVSSV- +------------------------------------------------------------ +-----------------------------------SSVSPA +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +MTEAWNVAVFAARRSRDD-DDTTR--GSVFTYTNTNNT-----RGPFEGPNY-HI----- +------------------------------------------------------------ +--APRWVYNLVSFFMIIVVIASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLV +A-STISVFNQIF-GYFI--LGHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGN +I-KFDSKLAIIGIVFSWVWAWGW-SAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSVE +LGCQSFMLTLMITCCFLPLFIIIVCYLQVWMAIRAVAAQQK------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESESTQKAEREVSRMVVVMIVAFCICWGPYASFVSFAAA--NPGYA-FHPLAAALPAY +FAKSATIYNPVIYVFMNRQFRNCIMQLF-------GKKVDDGSE-AS--TTSRTEVSSVS +N----------------------------------------------------------- +-----------------------------------SSVAPA +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +MA-AWE-AAFAARRRHEE-EDTTR--DSVFTYTNSNNT-----RGPFEGPNY-HI----- +------------------------------------------------------------ +--APRWVYNLTSVWMIFVVAASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVI +A-STISVINQIS-GYFI--LGHPMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGN +I-KFDGKLAVAGILFSWLWSCAW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSD +PGVQSYMVVLMVTCCFFPLAIIILCYLQVWLAIRAVAAQQK------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--ESESTQKAEKEVSRMVVVMIVAYCFCWGPYTFFACFAAA--NPGYA-FHPLAAALPAY +FAKSATIYNPIIYVFMNRQFRNCILQLF-------GKKVDDGSE-VS---TSRTEVSSVS +N----------------------------------------------------------- +-----------------------------------SSVSPA +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +M-------------------------SSNSSQAPPNGT-----PGPFDGPQWPYQ----- +------------------------------------------------------------ +--APQSTYVGVAVLMGTVVACASVVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLC +G-SSVSLSNNIN-GFFV--FGRRMCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGD +F-QFQRRHAVSGCAFTWGWALLW-SAPPLL-GWS-----SYVPEGLRTSCGPNWYTGGS- +-NNNSYILSLFVTCFVLPLSLILFSYTNLLLTLRAAAAQQK------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--EADTTQRAEREVTRMVIVMVMAFLLCWLPYSTFALVVAT--HKGII-IQPVLASLPSY +FSKTATVYNPIIYVFMNKQFQSCLLEML-----CCGYQPQRTGKASPGTPGPHADVTAAG +L----------------------------------------------------------- +-------------------------------RNKVMPAHPV +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +MESGNVSSSLFGNVSTALRPEARLSAE----------TRLLGWNVPPEELR---H----- +---------------------------------------IPEHWLTYPE----------- +--PPESMNYLLGTLYIFFTLMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK +--TPIFIYNSFH-QGYA--LGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG +--KMTHGKAIAMIIFIYMYATPW-VVACYTETWG-----RFVPEGYLTSCTFDYLTDNF- +-DTRLFVACIFFFSFVCPTTMITYYYSQIVGHVFSHEKALRDQAKKMNVESLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKNKETAEIRIAKAAITICFLFFCSWTPYGVMSLIGAF--GDKTL-LTPGATMIPAC +ACKMVACIDPFVYAISHPRYRMELQKRCPWL--ALNEKAPE-------SSAVASTSTTQE +P----------------------------------------------------------- +-----------------------------------QQTTAA +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +MEYHNVSSVL-GNVSSVLRPDARLSAE----------SRLLGWNVPPDELR---H----- +---------------------------------------IPEHWLIYPE----------- +--PPESMNYLLGTLYIFFTVISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK +--TPIFIYNSFH-QGYA--LGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG +--KMTHGKAIAMIIFIYLYATPW-VVACYTESWG-----RFVPEGYLTSCTFDYLTDNF- +-DTRLFVACIFFFSFVCPTTMITYYYSQIVGHVFSHEKALRDQAKKMNVDSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKSKEAAEIRIAKAAITICFLFFASWTPYGVMSLIGAF--GDKTL-LTPGATMIPAC +TCKMVACIDPFVYAISHPRYRMELQKRCPWL--AISEKAPE-------SRAAISTSTTQE +Q----------------------------------------------------------- +-----------------------------------QQTTAA +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +ME------PLCNASEPPLRPEAR-SSGNGD-------LQFLGWNVPPDQIQ---Y----- +---------------------------------------IPEHWLTQLE----------- +--PPASMHYMLGVFYIFLFCASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK +--APIF--NSFH-RGFAIYLGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR +--NMTFTKAVIMNIIIWLYCTPW-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDNF- +-DTRLFVGTIFFFSFVCPTLMILYYYSQIVGHVFSHEKALREQAKKMNVESLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKSKETAEIRIAKAAITICFLFFVSWTPYGVMSLIGAF--GDKSL-LTQGATMIPAC +TCKLVACIDPFVYAISHPRYRLELQKRCPWL--GVNEKSGE-------ISSAQSTTTQEQ +------------------------------------------------------------ +-----------------------------------QQTTAA +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +MD------ALCNASEPPLRPEARMSSGSDE-------LQFLGWNVPPDQIQ---Y----- +---------------------------------------IPEHWLTQLE----------- +--PPASMHYMLGVFYIFLFFASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK +--APIFIYNSFH-RGFA--LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR +--NMTFTKAVIMNIIIWLYCTPW-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDNF- +-DTRLFVGTIFLFSFVVPTLMILYYYSQIVGHVFNHEKALREQAKKMNVESLR------- +------------------------------------------------------------ +------------------------------------------------------------ +SNVDKSKETAEIRIAKAAITICFLFFVSWTPYGVMSLIGAF--GDKSL-LTPGATMIPAC +TCKLVACIEPFVYAISHPRYRMELQKRCPWL--GVNEKSGE-------ASSAQSTTTQEQ +T----------------------------------------------------------- +-----------------------------------QQTSAA +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +MT-----------NATGPQMAYYGAASMDFGYPE---GVSIVDFVRPEIKP---Y----- +---------------------------------------VHQHWYNYPP----------- +--VNPMWHYLLGVIYLFLGTVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTT +N-VPFFTYNCFSGGVWM--FSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNG +P-KLTTGKAVVFALISWVIAIGC-ALPPFF-GWG-----NYILEGILDSCSYDYLTQDF- +-NTFSYNIFIFVFDYFLPAAIIVFSYVFIVKAIFAHEAAMRAQAKKMNVSTLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-NEADAQRAEIRIAKTALVNVSLWFICWTPYALISLKGVM--GDTSG-ITPLVSTLPAL +LAKSCSCYNPFVYAISHPKYRLAITQHLPWF--CVHETETK-------SNDDSQSNSTVA +Q----------------------------------------------------------- +--------------------------------------DKA +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +MA-----------NVTGPQMAFYGSGAATFGYPE---GMTVADFVPDRVKH---M----- +---------------------------------------VLDHWYNYPP----------- +--VNPMWHYLLGVVYLFLGVISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTT +N-FPPFCYNCFSGGRWM--FSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNG +P-KLTQGKATFMCGLAWVISVGW-SLPPFF-GWG-----SYTLEGILDSCSYDYFTRDM- +-NTITYNICIFIFDFFLPASVIVFSYVFIVKAIFAHEAAMRAQAKKMNVTNLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-NEAETQRAEIRIAKTALVNVSLWFICWTPYAAITIQGLL--GNAEG-ITPLLTTLPAL +LAKSCSCYNPFVYAISHPKFRLAITQHLPWF--CVHEKDPN-------DVEENQSSNTQT +Q----------------------------------------------------------- +--------------------------------------EKS +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +ME-----SFAVAAAQLGPHFA-----PLS--------NGSVVDKVTPDMAH---L----- +---------------------------------------ISPYWNQFPA----------- +--MDPIWAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMIT +N-TPMMGINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG +R-PMTIPLALGKM---------------------------YVPEGNLTSCGIDYLERDW- +-NPRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDAEKSAEGKLAKVALVTITLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGAC +FAKSAACYNPIVYGISHPKYRLALKEKCPCC--VFGKVDDGKSS----DAQSQA-TASEA +E----------------------------------------------------------- +--------------------------------------SKA +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +ME-----SFAVAAAQLGPHFA-----PLS--------NGSVVDKVTPDMAH---L----- +---------------------------------------ISPYWNQFPA----------- +--MDPIWAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMIT +N-TPMMGINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG +R-PMTIPLALGKIAYIWFMSSIW-CLAPAF-GWS-----RYVPEGNLTSCGIDYLERDW- +-NPRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDAEKSAEGKLAKVALVTITLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGAC +FAKSAACYNPIVYGISHPKYRLALKEKCPCC--VFGKVDDGKSS----DAQSQA-TASEA +E----------------------------------------------------------- +--------------------------------------SKA +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +MD-----SFAAVATQLGPQFA-----APS--------NGSVVDKVTPDMAH---L----- +---------------------------------------ISPYWDQFPA----------- +--MDPIWAKILTAYMIIIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMIT +N-TPMMGINLYF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG +R-PMTIPLALGKIAYIWFMSTIWCCLAPVF-GWS-----RYVPEGNLTSCGIDYLERDW- +-NPRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDADKSAEGKLAKVALVTISLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGAC +FAKSAACYNPIVYGISHPKYRLALKEKCPCC--VFGKVDDGKSS----EAQSQA-TTSEA +E----------------------------------------------------------- +--------------------------------------SKA +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +MERSHLPETPFDLAHSGPRFQ-----AQSSG------NGSVLDNVLPDMAH---L----- +---------------------------------------VNPYWSRFAP----------- +--MDPMMSKILGLFTLAIMIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMAS +Q-SPVMIINFYY-ETWV--LGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGING +T-PMTIKTSIMKILFIWMMAVFW-TVMPLI-GWS-----AYVPEGNLTACSIDYMTRMW- +-NPRSYLITYSLFVYYTPLFLICYSYWFIIAAVAAHEKAMREQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDCDKSAEGKLAKVALTTISLWFMAWTPYLVICYFGLF--KI-DG-LTPLTTIWGAT +FAKTSAVYNPIVYGISHPKYRIVLKEKCPMC--VFGNTDEPKPD----APASDTETTSEA +D----------------------------------------------------------- +--------------------------------------SKA +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +MERSLLPEPPLAMALLGPRFE-----AQTGG------NRSVLDNVLPDMAP---L----- +---------------------------------------VNPHWSRFAP----------- +--MDPTMSKILGLFTLVILIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMAS +Q-SPVMIINFYY-ETWV--LGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGING +T-PMTIKTSIMKIAFIWMMAVFW-TIMPLI-GWS-----SYVPEGNLTACSIDYMTRQW- +-NPRSYLITYSLFVYYTPLFMICYSYWFIIATVAAHEKAMRDQAKKMNVKSLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SEDCDKSAENKLAKVALTTISLWFMAWTPYLIICYFGLF--KI-DG-LTPLTTIWGAT +FAKTSAVYNPIVYGISHPNDRLVLKEKCPMC--VCGTTDEPKPD----APPSDTETTSEA +E----------------------------------------------------------- +--------------------------------------SKD +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +MI-----------AVSGPSYE-----AFSYGGQARFNNQTVVDKVPPDMLH---L----- +---------------------------------------IDANWYQYPP----------- +--LNPMWHGILGFVIGMLGFVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFC +M-SPPMVINCYY-ETWV--LGPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSG +K-PLSINGALIRIIAIWLFSLGW-TIAPMF-GWN-----RYVPEGNMTACGTDYFNRGL- +-LSASYLVCYGIWVYFVPLFLIIYSYWFIIQAVAAHEKNMREQAKKMNVASLR------- +------------------------------------------------------------ +------------------------------------------------------------ +S-SENQNTSAECKLAKVALMTISLWFMAWTPYLVINFSGIF--NL-VK-ISPLFTIWGSL +FAKANAVYNPIVYGISHPKYRAALFAKFPSL--ACAA--EPSSD----AVSTTSGTTTVT +D----------------------------------------------------------- +-----------------------------------NEKSNA +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +MA------------------NQLSYSSLGWPYQP---NASVVDTMPKEMLY---M----- +---------------------------------------IHEHWYAFPP----------- +--MNPLWYSILGVAMIILGIICVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAF +M-MPTMTSNCFA-ETWI--LGPFMCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAA +A-PLTHKKATLLLLFVWIWSGGW-TILPFF-GWS-----RYVPEGNLTSCTVDYLTKDW- +-SSASYVVIYGLAVYFLPLITMIYCYFFIVHAVAEHEKQLREQAKKMNVASLR------- +------------------------------------------------------------ +------------------------------------------------------------ +ANADQQKQSAECRLAKVAMMTVGLWFMAWTPYLIISWAGVF--SSGTR-LTPLATIWGSV +FAKANSCYNPIVYGISHPRYKAALYQRFPSL--ACGSGESGSDV----KSEASATTTMEE +K----------------------------------------------------------- +-----------------------------------PKIPEA +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +MV------------------ESTTLVNQTWWYNPTVD----------------------- +---------------------------------------IHPHWAKFDP----------- +--IPDAVYYSVGIFIGVVGIIGILGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAI +NGFPLKTISAFM-KKWI--FGKVACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAA +SKKMSHRRAFLMIIFVWMWSIVW-SVGPVF-NWG-----AYVPEGILTSCSFDYLSTDP- +-STRSFILCMYFCGFMLPIIIIAFCYFNIVMSVSNHEKEMAAMAKRLNAKELR------- +------------------------------------------------------------ +------------------------------------------------------------ +--KAQAGASAEMKLAKISMVIITQFMLSWSPYAIIALLAQF--GPAEW-VTPYAAELPVL +FAKASAIHNPIVYSVSHPKFREAIQTTFPWLLTCCQFDEKECED----ANDAEEEVVASE +R--GGESRDAAQMKEMMAMMQKMQAQQAAYQP---PPPPQGYPPQGYPPQGAYPPPQGYP +PQGYPPQGYPPQGYPPQGAPPQVEAPQGAPPQGVDNQAYQA +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +MG------------------RDLR-DNETWWYNPSIV----------------------- +---------------------------------------VHPHWREFDQ----------- +--VPDAVYYSLGIFIGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLV +NGFPLMTISCFL-KKWI--FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAA +SKKMSHRRAFIMIIFVWLWSVLW-AIGPIF-GWG-----AYTLEGVLCNCSFDYISRDS- +-TTRSNILCMFILGFFGPILIIFFCYFNIVMSVSNHEKEMAAMAKRLNAKELR------- +------------------------------------------------------------ +------------------------------------------------------------ +--KAQAGANAEMRLAKISIVIVSQFLLSWSPYAVVALLAQF--GPLEW-VTPYAAQLPVM +FAKASAIHNPMIYSVSHPKFREAISQTFPWVLTCCQFDDKETED----DKDAETEIPAGE +SSDAAPSADAAQMKEMMAMMQKMQQQQAAYPPQGYAPPPQGYPPQGYPPQGY--PPQGYP +PQGYPP---PPQGAPPQGAPP------AAPPQGVDNQAYQA +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +M----------------------------------------------------------- +--PHLLS---------------------GFLEVTAS---PAPTW---DAPPDNVSGCGEQ +INYGRVEKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVA +V-MPFVSVTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTY +PVRQNGKCMAKMILSVWLLSASI-TLPPLF-GWA-----QNVNDDKVCLISQDF------ +----GYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKF--------------PGFP +RVQPESVISLNG------------------------------------------------ +----VVKLQKE------------------VEECAN------------------LSRLLKH +ERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLW +LGYANSLINPFIYAFFNRDLRPTSRSLL-----QCQYRNINRKLSAAGMHEALKLAERPE +RSEFV------------------------------------------------------- +---------------------------LQNSDHCGKKGHDT +> 31=p A47425 serotonin receptor 5HT-7 - rat +M----------------------------------------------------------- +--PHLLS---------------------GFLEVTAS---PAPTW---DAPPDNVSGCGEQ +INYGRVEKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVA +V-MPFVSVTDLIGGKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTY +PVRQNGKCMAKMILSVWLLSASI-TLPPLF-GWA-----QNVNDDKVCLISQDF------ +----GYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKF--------------PGFP +RVQPESVISLNG------------------------------------------------ +----VVKLQKE------------------VEECAN------------------LSRLLKH +ERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLW +LGYANSLINPFIYAFFNRDLRTTYRSLL-----QCQYRNINRKLSAAGMHEALKLAERPE +RSEFV------------------------------------------------------- +---------------------------LQNSDHCGKKGHDT +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +M----------------------------------------------------------- +--------------------DVLSPGQGNNTTSPPAPFETGGNTTGISD----------- +--VTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVL +V-LPMAALYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDY +VNKRTPRRAAALISLTWLIGFLI-SIPPML-GWRTP---EDRSDPDACTISKDH------ +----GYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQ +PKK---------SVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGN +SKEHLPLPSEAGPTPCAPASFERKNERNA------------------------------- +EAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF-CESSCH-MPTLLGAIINW +LGYSNSLLNPVIYAYFNKDFQNAFKKII-----KCKF----------------------- +------------------------------------------------------------ +--------------------------------------CRQ +> 33=p A35181 serotonin receptor class 1A - rat +M----------------------------------------------------------- +--------------------DVFSFGQGNNTTASQEPFGTGGNVTSISD----------- +--VTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVL +V-LPMAALYQVL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDY +VNKRTPRRAAALISLTWLIGFLI-SIPPML-GWRTP---EDRSDPDACTISKDH------ +----GYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPP +PKK---------SLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGN +SKEHLPLPSESGSNSYAPACLERKNERNA------------------------------- +EAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPF-CESSCH-MPALLGAIINW +LGYSNSLLNPVIYAYFNKDFQNAFKKII-----KCKF----------------------- +------------------------------------------------------------ +--------------------------------------CRR +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRD-----------------NASANDTSATNM---TDDRYWSLTV----------- +--YSHEHLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVL +V-MPLSVVSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDY +IRRRSARRILLMIMVVWIVALFI-SIPPLF-GWRDP--NNDPDKTGTCIISQDK------ +----GYTIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASP +KTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSS +SSERLKQIQIETAEAFANGCAEEASIAMLERQCNNGKKISSNDTPYS------------- +RTREKLELKRERKAARTLAIITGAFLICWLPFFIIALIGPF--VDPEG-IPPFARSFVLW +LGYFNSLLNPIIYTIFSPEFRSAFQKIL-----FGKY----------------------- +------------------------------------------------------------ +------------------------------------RRGHR +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRD-----------------NASANDTSATNM---TDDRYWSLTV----------- +--YSHEHLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVL +V-MPLSVVSEIS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDY +IRRRSARRILLMIMVVWIVALFI-SIPPLF-GWRDP--NNDPDKTGTCIISQDK------ +----GYTIFSTVGAFYLPMLVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASP +KTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSS +SSERLKQIQIETAEAFANGCAEEASIAMLERQCNNGKKISSNDTPYS------------- +RTREKLELKRERKAARTLAIITGAFLICWLPFFIIALIGPF--VDPEG-IPPFARSFVLW +LGYFNSLLNPIIYTIFSPEFRSAFQKIL-----FGKY----------------------- +------------------------------------------------------------ +------------------------------------RRGHR +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +M--------------------------------------------------------EGA +EGQEELDWEALYLRLPLQNCSWNSTGWEPNWNVTVV---PNTTWWQASAPFDTP------ +--AALVRAAAKAVVLGLLILATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACL +V-MPLGAVYEVV-QRWT--LGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDY +IHASTAKRVGMMIACVWTVSFFV-CIAQLL-GWKDPDWNQRVSEDLRCVVSQDV------ +----GYQIFATASSFYVPVLIILILYWRIYQTARKRIRRRRGATARGGV--------GPP +PVPAGGALVAGGGSGG------------------------------------IAAAVVAV +IGRPLPTISETTTTGFTNVSSNNTSPE--KQSCANGLEADPPTTGYGAVAAAYYPSLVRR +KPKEAADSKRERKAAKTLAIITGAFVACWLPFFVLAILVPT---CDCE-VSPVLTSLSLW +LGYFNSTLNPVIYTVFSPEFRHAFQRLL-----CGRR----------------------- +------------------------------------------------------------ +---------------------------------VRRRRAPQ diff --git a/binaries/src/mafft/test/sample.lins1 b/binaries/src/mafft/test/sample.lins1 new file mode 100644 index 0000000..8860bcf --- /dev/null +++ b/binaries/src/mafft/test/sample.lins1 @@ -0,0 +1,468 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +MN--------------------GTE--GDNFYVPFSNKTG--LARSP------------- +--------------------YEYPQY-YLAEPW---------KYSA-----LAAYMFFLI +LVGFPVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLFG-FTVTMYTSMN-GYFV-- +FGPTMCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGNF-RFGNTHAIMGVAFTWIM +ALAC-AAPPLV-GWS-----RYIPEGMQCSCGPDYYTLNPNFNNESYVVYMFVVHFLVPF +VIIFFCYGRLLCTVKEAAAAQQESA----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEKEVTRMVV +LMVIGFLVCWVPYASVAFYIFT--HQGSD-FGATFMTLPAFFAKSSALYNPVIYILMNKQ +FRNCMITTL-----CCGKNPLGDDE-SG-ASTSKTEVS---------------------- +------------------------------------------------------------ +----------------SVS-TSPVSPA--- +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +MN--------------------GTE--GPNFYVPFSNITG--VVRSP------------- +--------------------FEQPQY-YLAEPW---------QFSM-----LAAYMFLLI +VLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGG-FTTTLYTSLH-GYFV-- +FGPTGCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSNF-RFGENHAIMGVAFTWVM +ALAC-AAPPLV-GWS-----RYIPEGMQCSCGIDYYTLKPEVNNESFVIYMFVVHFTIPM +IVIFFCYGQLVFTVKEAAAQQQESA----------------------------------- +------------------------------------------------------------ +----------------------------------------------TTQKAEKEVTRMVI +IMVIFFLICWLPYASVAMYIFT--HQGSN-FGPIFMTLPAFFAKTASIYNPIIYIMMNKQ +FRNCMLTSL-----CCGKNPLGDDE-AS-ATASKTETS---------------------- +------------------------------------------------------------ +----------------QVA-PA-------- +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +MN--------------------GTE--GINFYVPMSNKTG--VVRSP------------- +--------------------FEYPQY-YLAEPW---------KYRL-----VCCYIFFLI +STGLPINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACFG-FTVTFYTAWN-GYFV-- +FGPVGCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGNF-RFSATHAMMGIAFTWVM +AFSC-AAPPLF-GWS-----RYMPEGMQCSCGPDYYTHNPDYHNESYVLYMFVIHFIIPV +VVIFFSYGRLICKVREAAAQQQESA----------------------------------- +------------------------------------------------------------ +----------------------------------------------TTQKAEKEVTRMVI +LMVLGFMLAWTPYAVVAFWIFT--NKGAD-FTATLMAVPAFFSKSSSLYNPIIYVLMNKQ +FRNCMITTI-----CCGKNPFGDEDVSSTVSQSKTEVS---------------------- +------------------------------------------------------------ +----------------SVS-SSQVSPA--- +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +MN--------------------GTE--GKNFYVPMSNRTG--LVRSP------------- +--------------------FEYPQY-YLAEPW---------QFKI-----LALYLFFLM +SMGLPINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCFG-FTVTFYTAIN-GYFV-- +LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGSF-KFSSSHAFAGIAFTWVM +ALAC-AAPPLF-GWS-----RYIPEGMQCSCGPDYYTLNPDYNNESYVIYMFVCHFILPV +AVIFFTYGRLVCTVKAAAAQQQDSA----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEREVTKMVI +LMVFGFLIAWTPYATVAAWIFF--NKGAD-FSAKFMAIPAFFSKSSALYNPVIYVLLNKQ +FRNCMLTTI-----FCGKNPLGDDE-SSTVSTSKTEVS---------------------- +------------------------------------------------------------ +----------------SVS-PA-------- +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +MN--------------------GTE--GNNFYVPLSNRTG--LVRSP------------- +--------------------FEYPQY-YLAEPW---------QFKL-----LAVYMFFLI +CLGLPINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCFG-FTVTFYTAIN-GYFA-- +LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGSF-KFSSTHASAGIAFTWVM +AMAC-AAPPLV-GWS-----RYIPEGIQCSCGPDYYTLNPEYNNESYVLYMFICHFILPV +TIIFFTYGRLVCTVKAAAAQQQDSA----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEREVTKMVI +LMVLGFLVAWTPYATVAAWIFF--NKGAA-FSAQFMAIPAFFSKTSALYNPVIYVLLNKQ +FRSCMLTTL-----FCGKNPLGDEE-SSTVSTSKTEVS---------------------- +------------------------------------------------------------ +----------------SVS-PA-------- +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +MK--------------------QVPEFHEDFYIPIPLDINNLSAYSP------------- +--------------------FLVPQD-HLGNQG---------IFMA-----MSVFMFFIF +IGGASINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIFG-SPLSFYSFFN-RYFI-- +FGATACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGNF-TFKTPHAIAGCILPWIS +ALAA-SLPPLF-GWS-----RYIPEGLQCSCGPDWYTTNNKYNNESYVMFLFCFCFAVPF +GTIVFCYGQLLITLKLAAKAQADSA----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEREVTKMVV +VMVLGFLVCWAPYASFSLWIVS--HRGEE-FDLRMATIPSCLSKASTVYNPVIYVLMNKQ +FRSCMM-KM-----VCGKN-IEEDE-AS-TSSQVTQVS---------------------- +------------------------------------------------------------ +----------------SVA-PEK------- +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +MR--------------------KMS--EEEFYL-----FKNISSVGP------------- +--------------------WDGPQY-HIAPVW---------AFYL-----QAAFMGTVF +LIGFPLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIFS-VFPVFVASCN-GYFV-- +FGRHVCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGNF-RFSSKHALTVVLATWTI +GIGV-SIPPFF-GWS-----RFIPEGLQCSCGPDWYTVGTKYRSESYTWFLFIFCFIVPL +SLICFSYTQLLRALKAVAAQQQESA----------------------------------- +------------------------------------------------------------ +----------------------------------------------TTQKAEREVSRMVV +VMVGSFCVCYVPYAAFAMYMVN--NRNHG-LDLRLVTIPSFFSKSACIYNPIIYCFMNKQ +FQACIM-KM-----VCGKA-MTDES-DT-CSSQKTEVS---------------------- +------------------------------------------------------------ +----------------TVS-STQVGPN--- +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +----------------------------------DLAETVIA-STISIVNQVS-GYFV-- +LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGNV-RFDAKLAIVGIAFSWIW +AAVW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCITPL +SIIVLCYLQVWLAIRAVAKQQKESE----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEKEVTRMVV +VMVLAFC----------------------------------------------------- +------------------------------------------------------------ +------------------------------------------------------------ +------------------------------ +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +MAQQWS-LQRLAGRHPQDSYEDSTQ--SSIFTY-----TNSNSTRGP------------- +--------------------FEGPNY-HIAPRW---------VYHL-----TSVWMIFVV +IASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISVVNQVY-GYFV-- +LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGNV-RFDAKLAIVGIAFSWIW +AAVW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCITPL +SIIVLCYLQVWLAIRAVAKQQKESE----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEKEVTRMVV +VMVLAFCFCWGPYAFFACFAAA--NPGYP-FHPLMAALPAFFAKSATIYNPVIYVFMNRQ +FRNCILQLF----------GKKVDDGSELSSASKTEVS---------------------- +------------------------------------------------------------ +----------------SV---SSVSPA--- +> 10== Z68193 1 human Red Opsin <>[] +MAQQWS-LQRLAGRHPQDSYEDSTQ--SSIFTY-----TNSNSTRGP------------- +--------------------FEGPNY-HIAPRW---------VYHL-----TSVWMIFVV +TASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISIVNQVS-GYFV-- +LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGNV-RFDAKLAIVGIAFSWIW +SAVW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCIIPL +AIIMLCYLQVWLAIRAVAKQQKESE----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEKEVTRMVV +VMIFAYCVCWGPYTFFACFAAA--NPGYA-FHPLMAALPAYFAKSATIYNPVIYVFMNRQ +FRNCILQLF----------GKKVDDGSELSSASKTEVS---------------------- +------------------------------------------------------------ +----------------SV---SSVSPA--- +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +MTEAWNVAVFAARRSRDD--DDTTR--GSVFTY-----TNTNNTRGP------------- +--------------------FEGPNY-HIAPRW---------VYNL-----VSFFMIIVV +IASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLVA-STISVFNQIF-GYFI-- +LGHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGNI-KFDSKLAIIGIVFSWVW +AWGW-SAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSVELGCQSFMLTLMITCCFLPL +FIIIVCYLQVWMAIRAVAAQQKESE----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEREVSRMVV +VMIVAFCICWGPYASFVSFAAA--NPGYA-FHPLAAALPAYFAKSATIYNPVIYVFMNRQ +FRNCIMQLF----------GKKVDDGSEASTTSRTEVS---------------------- +------------------------------------------------------------ +----------------SVS-NSSVAPA--- +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +MA-AWE-AAFAARRRHEE--EDTTR--DSVFTY-----TNSNNTRGP------------- +--------------------FEGPNY-HIAPRW---------VYNL-----TSVWMIFVV +AASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVIA-STISVINQIS-GYFI-- +LGHPMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGNI-KFDGKLAVAGILFSWLW +SCAW-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSDPGVQSYMVVLMVTCCFFPL +AIIILCYLQVWLAIRAVAAQQKESE----------------------------------- +------------------------------------------------------------ +----------------------------------------------STQKAEKEVSRMVV +VMIVAYCFCWGPYTFFACFAAA--NPGYA-FHPLAAALPAYFAKSATIYNPIIYVFMNRQ +FRNCILQLF----------GKKVDDGSEVST-SRTEVS---------------------- +------------------------------------------------------------ +----------------SVS-NSSVSPA--- +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +MS--------------------------SNSSQ-----APPNGTPGP------------- +--------------------FDGPQWPYQAPQS---------TYVG-----VAVLMGTVV +ACASVVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLCG-SSVSLSNNIN-GFFV-- +FGRRMCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGDF-QFQRRHAVSGCAFTWGW +ALLW-SAPPLL-GWS-----SYVPEGLRTSCGPNWYTGGSN--NNSYILSLFVTCFVLPL +SLILFSYTNLLLTLRAAAAQQKEAD----------------------------------- +------------------------------------------------------------ +----------------------------------------------TTQRAEREVTRMVI +VMVMAFLLCWLPYSTFALVVAT--HKGII-IQPVLASLPSYFSKTATVYNPIIYVFMNKQ +FQSCLLEML-----CCGYQPQRTGKASPGTPGPHADVT---------------------- +------------------------------------------------------------ +----------------AAGLRNKVMPAHPV +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +MESGNVSSSLFGNVSTALRPE----ARLSA---E---TRLLGWNVPP------------- +--------------------EELR---HIPEHWLTYPEPPESMNYL-----LGTLYIFFT +LMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK--TPIFIYNSFH-QGYA-- +LGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG--KMTHGKAIAMIIFIYMY +ATPW-VVACYTETWG-----RFVPEGYLTSCTFDYLTDN--FDTRLFVACIFFFSFVCPT +TMITYYYSQIVGHVFSHEKALRDQAKKMNVESLR-------------------------- +------------------------------------------------------------ +-----------------------------------------SNVDKNKETAEIRIAKAAI +TICFLFFCSWTPYGVMSLIGAF--GDKTL-LTPGATMIPACACKMVACIDPFVYAISHPR +YRMELQKRCPWL--ALNEKAPESSAVASTST-TQEPQQT--------------------- +------------------------------------------------------------ +----------------TAA----------- +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +MEYHNVSSVL-GNVSSVLRPD----ARLSA---E---SRLLGWNVPP------------- +--------------------DELR---HIPEHWLIYPEPPESMNYL-----LGTLYIFFT +VISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK--TPIFIYNSFH-QGYA-- +LGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG--KMTHGKAIAMIIFIYLY +ATPW-VVACYTESWG-----RFVPEGYLTSCTFDYLTDN--FDTRLFVACIFFFSFVCPT +TMITYYYSQIVGHVFSHEKALRDQAKKMNVDSLR-------------------------- +------------------------------------------------------------ +-----------------------------------------SNVDKSKEAAEIRIAKAAI +TICFLFFASWTPYGVMSLIGAF--GDKTL-LTPGATMIPACTCKMVACIDPFVYAISHPR +YRMELQKRCPWL--AISEKAPESRAAISTST-TQEQQQT--------------------- +------------------------------------------------------------ +----------------TAA----------- +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +ME------PLCNASEPPLRPE----AR-SSGNGD---LQFLGWNVPP------------- +--------------------DQIQ---YIPEHWLTQLEPPASMHYM-----LGVFYIFLF +CASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIF--NSFH-RGFAIY +LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFTKAVIMNIIIWLY +CTPW-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDN--FDTRLFVGTIFFFSFVCPT +LMILYYYSQIVGHVFSHEKALREQAKKMNVESLR-------------------------- +------------------------------------------------------------ +-----------------------------------------SNVDKSKETAEIRIAKAAI +TICFLFFVSWTPYGVMSLIGAF--GDKSL-LTQGATMIPACTCKLVACIDPFVYAISHPR +YRLELQKRCPWL--GVNEKSGEISSAQSTTT-QEQQQTT--------------------- +------------------------------------------------------------ +----------------AA------------ +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +MD------ALCNASEPPLRPE----ARMSSGSDE---LQFLGWNVPP------------- +--------------------DQIQ---YIPEHWLTQLEPPASMHYM-----LGVFYIFLF +FASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIFIYNSFH-RGFA-- +LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFTKAVIMNIIIWLY +CTPW-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDN--FDTRLFVGTIFLFSFVVPT +LMILYYYSQIVGHVFNHEKALREQAKKMNVESLR-------------------------- +------------------------------------------------------------ +-----------------------------------------SNVDKSKETAEIRIAKAAI +TICFLFFVSWTPYGVMSLIGAF--GDKSL-LTPGATMIPACTCKLVACIEPFVYAISHPR +YRMELQKRCPWL--GVNEKSGEASSAQSTTT-QEQTQQT--------------------- +------------------------------------------------------------ +----------------SAA----------- +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +M-----------TNATGPQMAYYGAASMDFGYPE---GVSIVDFVRP------------- +--------------------EIKP---YVHQHWYNYPPVNPMWHYL-----LGVIYLFLG +TVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTTN-VPFFTYNCFSGGVWM-- +FSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNGP-KLTTGKAVVFALISWVI +AIGC-ALPPFF-GWG-----NYILEGILDSCSYDYLTQD--FNTFSYNIFIFVFDYFLPA +AIIVFSYVFIVKAIFAHEAAMRAQAKKMNVSTLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-NEADAQRAEIRIAKTAL +VNVSLWFICWTPYALISLKGVM--GDTSG-ITPLVSTLPALLAKSCSCYNPFVYAISHPK +YRLAITQHLPWF--CVHETETKSNDDSQSNS-TVAQDK---------------------- +------------------------------------------------------------ +------------------A----------- +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +M-----------ANVTGPQMAFYGSGAATFGYPE---GMTVADFVPD------------- +--------------------RVKH---MVLDHWYNYPPVNPMWHYL-----LGVVYLFLG +VISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTTN-FPPFCYNCFSGGRWM-- +FSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNGP-KLTQGKATFMCGLAWVI +SVGW-SLPPFF-GWG-----SYTLEGILDSCSYDYFTRD--MNTITYNICIFIFDFFLPA +SVIVFSYVFIVKAIFAHEAAMRAQAKKMNVTNLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-NEAETQRAEIRIAKTAL +VNVSLWFICWTPYAAITIQGLL--GNAEG-ITPLLTTLPALLAKSCSCYNPFVYAISHPK +FRLAITQHLPWF--CVHEKDPNDVEENQSSN-TQTQEK---------------------- +------------------------------------------------------------ +------------------S----------- +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +ME-----SFAVAAAQLGPHFA-----PLS--------NGSVVDKVTP------------- +--------------------DMAH---LISPYWNQFPAMDPIWAKI-----LTAYMIMIG +MISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINLYF-ETWV-- +LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGR-PMTIPLALGKM------ +---------------------YVPEGNLTSCGIDYLERD--WNPRSYLIFYSIFVYYIPL +FLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-SEDAEKSAEGKLAKVAL +VTITLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGACFAKSAACYNPIVYGISHPK +YRLALKEKCPCC--VFGKVDDGKSSDAQSQA-TASEAE---------------------- +------------------------------------------------------------ +----------------SKA----------- +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +ME-----SFAVAAAQLGPHFA-----PLS--------NGSVVDKVTP------------- +--------------------DMAH---LISPYWNQFPAMDPIWAKI-----LTAYMIMIG +MISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINLYF-ETWV-- +LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGR-PMTIPLALGKIAYIWFM +SSIW-CLAPAF-GWS-----RYVPEGNLTSCGIDYLERD--WNPRSYLIFYSIFVYYIPL +FLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-SEDAEKSAEGKLAKVAL +VTITLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGACFAKSAACYNPIVYGISHPK +YRLALKEKCPCC--VFGKVDDGKSSDAQSQA-TASEAE---------------------- +------------------------------------------------------------ +----------------SKA----------- +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +MD-----SFAAVATQLGPQFA-----APS--------NGSVVDKVTP------------- +--------------------DMAH---LISPYWDQFPAMDPIWAKI-----LTAYMIIIG +MISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINLYF-ETWV-- +LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGR-PMTIPLALGKIAYIWFM +STIWCCLAPVF-GWS-----RYVPEGNLTSCGIDYLERD--WNPRSYLIFYSIFVYYIPL +FLICYSYWFIIAAVSAHEKAMREQAKKMNVKSLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-SEDADKSAEGKLAKVAL +VTISLWFMAWTPYLVINCMGLF--KF-EG-LTPLNTIWGACFAKSAACYNPIVYGISHPK +YRLALKEKCPCC--VFGKVDDGKSSEAQSQA-TTSEAE---------------------- +------------------------------------------------------------ +----------------SKA----------- +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +MERSHLPETPFDLAHSGPRFQ-----AQSSG------NGSVLDNVLP------------- +--------------------DMAH---LVNPYWSRFAPMDPMMSKI-----LGLFTLAIM +IISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMIINFYY-ETWV-- +LGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGINGT-PMTIKTSIMKILFIWMM +AVFW-TVMPLI-GWS-----AYVPEGNLTACSIDYMTRM--WNPRSYLITYSLFVYYTPL +FLICYSYWFIIAAVAAHEKAMREQAKKMNVKSLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-SEDCDKSAEGKLAKVAL +TTISLWFMAWTPYLVICYFGLF--KI-DG-LTPLTTIWGATFAKTSAVYNPIVYGISHPK +YRIVLKEKCPMC--VFGNTDEPKPDAPASDTETTSEAD---------------------- +------------------------------------------------------------ +----------------SKA----------- +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +MERSLLPEPPLAMALLGPRFE-----AQTGG------NRSVLDNVLP------------- +--------------------DMAP---LVNPHWSRFAPMDPTMSKI-----LGLFTLVIL +IISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMIINFYY-ETWV-- +LGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGINGT-PMTIKTSIMKIAFIWMM +AVFW-TIMPLI-GWS-----SYVPEGNLTACSIDYMTRQ--WNPRSYLITYSLFVYYTPL +FMICYSYWFIIATVAAHEKAMRDQAKKMNVKSLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-SEDCDKSAENKLAKVAL +TTISLWFMAWTPYLIICYFGLF--KI-DG-LTPLTTIWGATFAKTSAVYNPIVYGISHPN +DRLVLKEKCPMC--VCGTTDEPKPDAPPSDTETTSEAE---------------------- +------------------------------------------------------------ +----------------SKD----------- +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +M-----------IAVSGPSYE-----AFSYGGQARFNNQTVVDKVPP------------- +--------------------DMLH---LIDANWYQYPPLNPMWHGI-----LGFVIGMLG +FVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFCM-SPPMVINCYY-ETWV-- +LGPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSGK-PLSINGALIRIIAIWLF +SLGW-TIAPMF-GWN-----RYVPEGNMTACGTDYFNRG--LLSASYLVCYGIWVYFVPL +FLIIYSYWFIIQAVAAHEKNMREQAKKMNVASLR-------------------------- +------------------------------------------------------------ +-----------------------------------------S-SENQNTSAECKLAKVAL +MTISLWFMAWTPYLVINFSGIF--NL-VK-ISPLFTIWGSLFAKANAVYNPIVYGISHPK +YRAALFAKFPSL--AC-AAEPSSDAVSTTSG-TTTVTDN--------------------- +------------------------------------------------------------ +-------------EK-SNA----------- +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +M-------------ANQLSYS-----SLGWPYQP---NASVVDTMPK------------- +--------------------EMLY---MIHEHWYAFPPMNPLWYSI-----LGVAMIILG +IICVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAFM-MPTMTSNCFA-ETWI-- +LGPFMCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAAA-PLTHKKATLLLLFVWIW +SGGW-TILPFF-GWS-----RYVPEGNLTSCTVDYLTKD--WSSASYVVIYGLAVYFLPL +ITMIYCYFFIVHAVAEHEKQLREQAKKMNVASLR-------------------------- +------------------------------------------------------------ +-----------------------------------------ANADQQKQSAECRLAKVAM +MTVGLWFMAWTPYLIISWAGVF--SSGTR-LTPLATIWGSVFAKANSCYNPIVYGISHPR +YKAALYQRFPSL--ACGSGESGSDVKSEASA-TTTMEEK--------------------- +------------------------------------------------------------ +-------------PKIPEA----------- +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +M-------------VESTTLV-----NQTWWY-----NPTV------------------- +---------------------------DIHPHWAKFDPIPDAVYYS-----VGIFIGVVG +IIGILGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAINGFPLKTISAFM-KKWI-- +FGKVACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAASKKMSHRRAFLMIIFVWMW +SIVW-SVGPVF-NWG-----AYVPEGILTSCSFDYLSTD--PSTRSFILCMYFCGFMLPI +IIIAFCYFNIVMSVSNHEKEMAAMAKRLNAKELR-------------------------- +------------------------------------------------------------ +-----------------------------------------K-AQ-AGASAEMKLAKISM +VIITQFMLSWSPYAIIALLAQF--GPAEW-VTPYAAELPVLFAKASAIHNPIVYSVSHPK +FREAIQTTFPWLLTCCQFDEKECEDANDAEE-EVVASER--GGESRDAAQMKEMMAMMQK +MQAQQAAYQP---PPPPQGYPPQGYPPQGAYPPPQGYPPQGYPPQGYPPQGYPPQGAPPQ +VEAPQGAPPQGVDNQAYQA----------- +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +M-------------GRDLR-D-----NETWWY-----NPSI------------------- +---------------------------VVHPHWREFDQVPDAVYYS-----LGIFIGICG +IIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNGFPLMTISCFL-KKWI-- +FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMIIFVWLW +SVLW-AIGPIF-GWG-----AYTLEGVLCNCSFDYISRD--STTRSNILCMFILGFFGPI +LIIFFCYFNIVMSVSNHEKEMAAMAKRLNAKELR-------------------------- +------------------------------------------------------------ +-----------------------------------------K-AQ-AGANAEMRLAKISI +VIVSQFLLSWSPYAVVALLAQF--GPLEW-VTPYAAQLPVMFAKASAIHNPMIYSVSHPK +FREAISQTFPWVLTCCQFDDKETEDDKDAET-EIPAGESSDAAPSADAAQMKEMMAMMQK +MQQQQAAYPPQGYAPPPQGYPPQGYPPQGY--PPQGYPPQGYPP---PPQGAPPQGAPP- +-----AAPPQGVDNQAYQA----------- +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +M------------------------------------------------PHLLSGFLEVT +ASPAPTWDAPPDNV------SGCGE----------QINYGRVEKVV-----IGSILTLIT +LLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVSVTDLIGGKWI-- +FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLL +SASI-TLPPLF-GWA-----QNVNDDKVCLISQDF----------GYTIYSTAVAFYIPM +SVMLFMYYQIYKAARKSAAKHKF--------------PGFPRVQPESVISLNG------- +---------------------------------------------VVKLQKE-------- +----------VEECAN------------------LSRLLKHERKNISIFKREQKAATTLG +IIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRD +LRPTSRSLL-----QCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT +------------------------------------------------------------ +------------------------------ +> 31=p A47425 serotonin receptor 5HT-7 - rat +M------------------------------------------------PHLLSGFLEVT +ASPAPTWDAPPDNV------SGCGE----------QINYGRVEKVV-----IGSILTLIT +LLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVSVTDLIGGKWI-- +FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLL +SASI-TLPPLF-GWA-----QNVNDDKVCLISQDF----------GYTIYSTAVAFYIPM +SVMLFMYYQIYKAARKSAAKHKF--------------PGFPRVQPESVISLNG------- +---------------------------------------------VVKLQKE-------- +----------VEECAN------------------LSRLLKHERKNISIFKREQKAATTLG +IIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRD +LRTTYRSLL-----QCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT +------------------------------------------------------------ +------------------------------ +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +MDVLSPG----------------------------------------------------- +---------QGNNT------TSPPAPFETGGNTTGISDVTVSYQVI-----TSLLLGTLI +FCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAALYQVL-NKWT-- +LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLI +GFLI-SIPPML-GWRTPEDRSDPD---ACTISKDH----------GYTIYSTFGAFYIPL +LLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKK-----SVNG--ESGSR +NWRLGVESKAGGALCANGAVRQGDDGAAL--EVIEVHRVGNSKEHLPLPSEAGPTPCAPA +S------------------FERKNERNA-------------EAKRKMALARERKTVKTLG +IIMGTFILCWLPFFIVALVLPF-CESSCH-MPTLLGAIINWLGYSNSLLNPVIYAYFNKD +FQNAFKKII-----KCKFCR--Q------------------------------------- +------------------------------------------------------------ +------------------------------ +> 33=p A35181 serotonin receptor class 1A - rat +MDVFSFG----------------------------------------------------- +---------QGNNT------TASQEPFGTGGNVTSISDVTFSYQVI-----TSLLLGTLI +FCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAALYQVL-NKWT-- +LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLI +GFLI-SIPPML-GWRTPEDRSDPD---ACTISKDH----------GYTIYSTFGAFYIPL +LLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKK-----SLNG--QPGSG +DWRRCAENRAVGTPCTNGAVRQGDDEATL--EVIEVHRVGNSKEHLPLPSESGSNSYAPA +C------------------LERKNERNA-------------EAKRKMALARERKTVKTLG +IIMGTFILCWLPFFIVALVLPF-CESSCH-MPALLGAIINWLGYSNSLLNPVIYAYFNKD +FQNAFKKII-----KCKFCR--R------------------------------------- +------------------------------------------------------------ +------------------------------ +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRDNASANDT------SATNM---TDDRYWSLTVYSHEHLVL-----TSVILGLFV +LCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSVVSEIS-KVWF-- +LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSARRILLMIMVVWIV +ALFI-SIPPLF-GWRDPNN--DPDKTGTCIISQDK----------GYTIFSTVGAFYLPM +LVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVVSDCNGCNSPDST +TEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSSSERLKQIQIETAEAFANG +CAEEASIAMLERQCNNGKKISSNDTPYS-------------RTREKLELKRERKAARTLA +IITGAFLICWLPFFIIALIGPF-VDPE-G-IPPFARSFVLWLGYFNSLLNPIIYTIFSPE +FRSAFQKIL-----FGKYRRGHR------------------------------------- +------------------------------------------------------------ +------------------------------ +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRDNASANDT------SATNM---TDDRYWSLTVYSHEHLVL-----TSVILGLFV +LCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSVVSEIS-KVWF-- +LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSARRILLMIMVVWIV +ALFI-SIPPLF-GWRDPNN--DPDKTGTCIISQDK----------GYTIFSTVGAFYLPM +LVMMIIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVVSDCNGCNSPDST +TEKKKRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSSSERLKQIQIETAEAFANG +CAEEASIAMLERQCNNGKKISSNDTPYS-------------RTREKLELKRERKAARTLA +IITGAFLICWLPFFIIALIGPF-VDPE-G-IPPFARSFVLWLGYFNSLLNPIIYTIFSPE +FRSAFQKIL-----FGKYRRGHR------------------------------------- +------------------------------------------------------------ +------------------------------ +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +MEG-AEGQEELDWEAL-------------------------------------------- +YLRLPLQNCSWNSTGWEPNWNVTVV---PNTTWWQASAPFDTPAALVRAAAKAVVLGLLI +LATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACLV-MPLGAVYEVV-QRWT-- +LGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDYIHASTAKRVGMMIACVWTV +SFFV-CIAQLL-GWKDPDWNQRVSEDLRCVVSQDV----------GYQIFATASSFYVPV +LIILILYWRIYQTARKRIRR------RRGATARGGVGPPPVPAG---------------- +-----------------GALVAGGGSGGIAAAVVAV-----IGRPLPTISETTTTGFTNV +SSNNTSPE--KQSCANGLEADPPTTGYGAVAAAYYPSLVRRKPKEAADSKRERKAAKTLA +IITGAFVACWLPFFVLAILVPT-CD--CE-VSPVLTSLSLWLGYFNSTLNPVIYTVFSPE +FRHAFQRLL-----CGRRVRRRRA----------------------------------PQ +------------------------------------------------------------ +------------------------------ diff --git a/binaries/src/mafft/test/sample.linsi b/binaries/src/mafft/test/sample.linsi new file mode 100644 index 0000000..252c31f --- /dev/null +++ b/binaries/src/mafft/test/sample.linsi @@ -0,0 +1,468 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +MN----------------------GTEGDNFYVPFSNKTGLA--RSPYEYPQY------- +------------------YLAEPW-------------------KYSALAAYMFFLILVGF +PVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLFG-FTVTMYTSMN-GYFV--FGPT +MCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGNF-RFGNTHAIMGVAFTWIMALAC +-AAPPLV-GWS-----RYIPEGMQCSCGPDYYTLNPNFNNESYVVYMFVVHFLVPFVIIF +FCYGRLLCTVKEAAAAQQESA--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEKEVTRMVVLMVI +GFLVCWVPYASVAFYIFT--HQGSD-FGATFMTLPAFFAKSSALYNPVIYILMNKQFRNC +MITTL-----CCGKNPLGDDESG--AS-TSKTEVS------------------------- +------------------------------------------------------------ +-SVS-TSPVSPA--- +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +MN----------------------GTEGPNFYVPFSNITGVV--RSPFEQPQY------- +------------------YLAEPW-------------------QFSMLAAYMFLLIVLGF +PINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGG-FTTTLYTSLH-GYFV--FGPT +GCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSNF-RFGENHAIMGVAFTWVMALAC +-AAPPLV-GWS-----RYIPEGMQCSCGIDYYTLKPEVNNESFVIYMFVVHFTIPMIVIF +FCYGQLVFTVKEAAAQQQESA--------------------------------------- +------------------------------------------------------------ +------------------------------------------TTQKAEKEVTRMVIIMVI +FFLICWLPYASVAMYIFT--HQGSN-FGPIFMTLPAFFAKTASIYNPIIYIMMNKQFRNC +MLTSL-----CCGKNPLGDDEAS--AT-ASKTETS------------------------- +------------------------------------------------------------ +-QVA-PA-------- +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +MN----------------------GTEGINFYVPMSNKTGVV--RSPFEYPQY------- +------------------YLAEPW-------------------KYRLVCCYIFFLISTGL +PINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACFG-FTVTFYTAWN-GYFV--FGPV +GCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGNF-RFSATHAMMGIAFTWVMAFSC +-AAPPLF-GWS-----RYMPEGMQCSCGPDYYTHNPDYHNESYVLYMFVIHFIIPVVVIF +FSYGRLICKVREAAAQQQESA--------------------------------------- +------------------------------------------------------------ +------------------------------------------TTQKAEKEVTRMVILMVL +GFMLAWTPYAVVAFWIFT--NKGAD-FTATLMAVPAFFSKSSSLYNPIIYVLMNKQFRNC +MITTI-----CCGKNPFGDEDVSSTVS-QSKTEVS------------------------- +------------------------------------------------------------ +-SVS-SSQVSPA--- +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +MN----------------------GTEGKNFYVPMSNRTGLV--RSPFEYPQY------- +------------------YLAEPW-------------------QFKILALYLFFLMSMGL +PINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCFG-FTVTFYTAIN-GYFV--LGPT +GCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGSF-KFSSSHAFAGIAFTWVMALAC +-AAPPLF-GWS-----RYIPEGMQCSCGPDYYTLNPDYNNESYVIYMFVCHFILPVAVIF +FTYGRLVCTVKAAAAQQQDSA--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEREVTKMVILMVF +GFLIAWTPYATVAAWIFF--NKGAD-FSAKFMAIPAFFSKSSALYNPVIYVLLNKQFRNC +MLTTI-----FCGKNPLGDDESS-TVS-TSKTEVS------------------------- +------------------------------------------------------------ +-SVS-PA-------- +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +MN----------------------GTEGNNFYVPLSNRTGLV--RSPFEYPQY------- +------------------YLAEPW-------------------QFKLLAVYMFFLICLGL +PINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCFG-FTVTFYTAIN-GYFA--LGPT +GCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGSF-KFSSTHASAGIAFTWVMAMAC +-AAPPLV-GWS-----RYIPEGIQCSCGPDYYTLNPEYNNESYVLYMFICHFILPVTIIF +FTYGRLVCTVKAAAAQQQDSA--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEREVTKMVILMVL +GFLVAWTPYATVAAWIFF--NKGAA-FSAQFMAIPAFFSKTSALYNPVIYVLLNKQFRSC +MLTTL-----FCGKNPLGDEESS-TVS-TSKTEVS------------------------- +------------------------------------------------------------ +-SVS-PA-------- +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +MK--------------------QVPEFHEDFYIPIPLDINNLSAYSPFLVPQD------- +------------------HLGNQG-------------------IFMAMSVFMFFIFIGGA +SINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIFG-SPLSFYSFFN-RYFI--FGAT +ACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGNF-TFKTPHAIAGCILPWISALAA +-SLPPLF-GWS-----RYIPEGLQCSCGPDWYTTNNKYNNESYVMFLFCFCFAVPFGTIV +FCYGQLLITLKLAAKAQADSA--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEREVTKMVVVMVL +GFLVCWAPYASFSLWIVS--HRGEE-FDLRMATIPSCLSKASTVYNPVIYVLMNKQFRSC +MMKMV------CGKN-IEEDEAS--TS-SQVTQVS------------------------- +------------------------------------------------------------ +-SVA-PEK------- +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +MR----------------------KMSEEEFYL-----FKNISSVGPWDGPQY------- +------------------HIAPVW-------------------AFYLQAAFMGTVFLIGF +PLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIFS-VFPVFVASCN-GYFV--FGRH +VCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGNF-RFSSKHALTVVLATWTIGIGV +-SIPPFF-GWS-----RFIPEGLQCSCGPDWYTVGTKYRSESYTWFLFIFCFIVPLSLIC +FSYTQLLRALKAVAAQQQESA--------------------------------------- +------------------------------------------------------------ +------------------------------------------TTQKAEREVSRMVVVMVG +SFCVCYVPYAAFAMYMVN--NRNHG-LDLRLVTIPSFFSKSACIYNPIIYCFMNKQFQAC +IMKMV------CGKA---MTDESDTCS-SQKTEVS------------------------- +------------------------------------------------------------ +-TVS-STQVGPN--- +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +------------------------------DLAETVIA-STISIVNQVS-GYFV--LGHP +MCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGNV-RFDAKLAIVGIAFSWIWAAVW +-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCITPLSIIV +LCYLQVWLAIRAVAKQQKESE--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEKEVTRMVVVMVL +AFC--------------------------------------------------------- +------------------------------------------------------------ +------------------------------------------------------------ +--------------- +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +MAQQWSLQRLAGRHPQDS-YEDSTQ--SSIFTY-----TNSNSTRGPFEGPNY------- +------------------HIAPRW-------------------VYHLTSVWMIFVVIASV +FTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISVVNQVY-GYFV--LGHP +MCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGNV-RFDAKLAIVGIAFSWIWAAVW +-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCITPLSIIV +LCYLQVWLAIRAVAKQQKESE--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEKEVTRMVVVMVL +AFCFCWGPYAFFACFAAA--NPGYP-FHPLMAALPAFFAKSATIYNPVIYVFMNRQFRNC +ILQLF----------GKKVDDGSELSS-ASKTEVS------------------------- +------------------------------------------------------------ +-SVS---SVSPA--- +> 10== Z68193 1 human Red Opsin <>[] +MAQQWSLQRLAGRHPQDS-YEDSTQ--SSIFTY-----TNSNSTRGPFEGPNY------- +------------------HIAPRW-------------------VYHLTSVWMIFVVTASV +FTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-STISIVNQVS-GYFV--LGHP +MCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGNV-RFDAKLAIVGIAFSWIWSAVW +-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSYPGVQSYMIVLMVTCCIIPLAIIM +LCYLQVWLAIRAVAKQQKESE--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEKEVTRMVVVMIF +AYCVCWGPYTFFACFAAA--NPGYA-FHPLMAALPAYFAKSATIYNPVIYVFMNRQFRNC +ILQLF----------GKKVDDGSELSS-ASKTEVS------------------------- +------------------------------------------------------------ +-SVS---SVSPA--- +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +MTEAWNVAVFAARRSRDD--DDTTR--GSVFTY-----TNTNNTRGPFEGPNY------- +------------------HIAPRW-------------------VYNLVSFFMIIVVIASC +FTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLVA-STISVFNQIF-GYFI--LGHP +LCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGNI-KFDSKLAIIGIVFSWVWAWGW +-SAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSVELGCQSFMLTLMITCCFLPLFIII +VCYLQVWMAIRAVAAQQKESE--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEREVSRMVVVMIV +AFCICWGPYASFVSFAAA--NPGYA-FHPLAAALPAYFAKSATIYNPVIYVFMNRQFRNC +IMQLF----------GKKVDDGSEAST-TSRTEVS------------------------- +------------------------------------------------------------ +-SVS-NSSVAPA--- +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +MA-AWE-AAFAARRRHEE--EDTTR--DSVFTY-----TNSNNTRGPFEGPNY------- +------------------HIAPRW-------------------VYNLTSVWMIFVVAASV +FTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVIA-STISVINQIS-GYFI--LGHP +MCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGNI-KFDGKLAVAGILFSWLWSCAW +-TAPPIF-GWS-----RYWPHGLKTSCGPDVFSGSSDPGVQSYMVVLMVTCCFFPLAIII +LCYLQVWLAIRAVAAQQKESE--------------------------------------- +------------------------------------------------------------ +------------------------------------------STQKAEKEVSRMVVVMIV +AYCFCWGPYTFFACFAAA--NPGYA-FHPLAAALPAYFAKSATIYNPIIYVFMNRQFRNC +ILQLF----------GKKVDDGSEVST--SRTEVS------------------------- +------------------------------------------------------------ +-SVS-NSSVSPA--- +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +MS-------------------------------SNSSQAPPNGTPGPFDGPQWP------ +------------------YQAPQS-------------------TYVGVAVLMGTVVACAS +VVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLCG-SSVSLSNNIN-GFFV--FGRR +MCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGDF-QFQRRHAVSGCAFTWGWALLW +-SAPPLL-GWS-----SYVPEGLRTSCGPNWYTGGS--NNNSYILSLFVTCFVLPLSLIL +FSYTNLLLTLRAAAAQQKEAD--------------------------------------- +------------------------------------------------------------ +------------------------------------------TTQRAEREVTRMVIVMVM +AFLLCWLPYSTFALVVAT--HKGII-IQPVLASLPSYFSKTATVYNPIIYVFMNKQFQSC +LLEML-----CCGYQPQRTGKASPGTP-GPHADVT------------------------- +------------------------------------------------------------ +-AAGLRNKVMPAHPV +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +MESGNVSSSLFGNVSTALRPEARLSAE----------TRLLGWNVPPEELR--------- +------------------HIPEHWLTYP----------EPPESMNYLLGTLYIFFTLMSM +LGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK--TPIFIYNSFH-QGYA--LGHL +GCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG--KMTHGKAIAMIIFIYMYATPW +-VVACYTETWG-----RFVPEGYLTSCTFDYLTDN--FDTRLFVACIFFFSFVCPTTMIT +YYYSQIVGHVFSHEKALRDQAKKMNVESLR------------------------------ +------------------------------------------------------------ +-------------------------------------SNVDKNKETAEIRIAKAAITICF +LFFCSWTPYGVMSLIGAF--GDKTL-LTPGATMIPACACKMVACIDPFVYAISHPRYRME +LQKRCPWL--ALNEKAPESSAVASTST-TQEPQQT------------------------- +------------------------------------------------------------ +-TAA----------- +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +MEYHNVSSVL-GNVSSVLRPDARLSAE----------SRLLGWNVPPDELR--------- +------------------HIPEHWLIYP----------EPPESMNYLLGTLYIFFTVISM +IGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK--TPIFIYNSFH-QGYA--LGHL +GCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG--KMTHGKAIAMIIFIYLYATPW +-VVACYTESWG-----RFVPEGYLTSCTFDYLTDN--FDTRLFVACIFFFSFVCPTTMIT +YYYSQIVGHVFSHEKALRDQAKKMNVDSLR------------------------------ +------------------------------------------------------------ +-------------------------------------SNVDKSKEAAEIRIAKAAITICF +LFFASWTPYGVMSLIGAF--GDKTL-LTPGATMIPACTCKMVACIDPFVYAISHPRYRME +LQKRCPWL--AISEKAPESRAAISTST-TQEQQQT------------------------- +------------------------------------------------------------ +-TAA----------- +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +ME------PLCNASEPPLRPEAR-SSGNGD-------LQFLGWNVPPDQIQ--------- +------------------YIPEHWLTQL----------EPPASMHYMLGVFYIFLFCAST +VGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIF--NSFH-RGFAIYLGNT +WCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFTKAVIMNIIIWLYCTPW +-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDN--FDTRLFVGTIFFFSFVCPTLMIL +YYYSQIVGHVFSHEKALREQAKKMNVESLR------------------------------ +------------------------------------------------------------ +-------------------------------------SNVDKSKETAEIRIAKAAITICF +LFFVSWTPYGVMSLIGAF--GDKSL-LTQGATMIPACTCKLVACIDPFVYAISHPRYRLE +LQKRCPWL--GVNEKSGEISSAQSTTT-QEQQQTT------------------------- +------------------------------------------------------------ +-AA------------ +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +MD------ALCNASEPPLRPEARMSSGSDE-------LQFLGWNVPPDQIQ--------- +------------------YIPEHWLTQL----------EPPASMHYMLGVFYIFLFFAST +LGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--APIFIYNSFH-RGFA--LGNT +WCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR--NMTFTKAVIMNIIIWLYCTPW +-VVLPLTQFWD-----RFVPEGYLTSCSFDYLSDN--FDTRLFVGTIFLFSFVVPTLMIL +YYYSQIVGHVFNHEKALREQAKKMNVESLR------------------------------ +------------------------------------------------------------ +-------------------------------------SNVDKSKETAEIRIAKAAITICF +LFFVSWTPYGVMSLIGAF--GDKSL-LTPGATMIPACTCKLVACIEPFVYAISHPRYRME +LQKRCPWL--GVNEKSGEASSAQSTTT-QEQTQQT------------------------- +------------------------------------------------------------ +-SAA----------- +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +M-----------TNATGPQMAYYGAASMDFGYPE---GVSIVDFVRPEIKP--------- +------------------YVHQHWYNYP----------PVNPMWHYLLGVIYLFLGTVSI +FGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTTN-VPFFTYNCFSGGVWM--FSPQ +YCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNGP-KLTTGKAVVFALISWVIAIGC +-ALPPFF-GWG-----NYILEGILDSCSYDYLTQD--FNTFSYNIFIFVFDYFLPAAIIV +FSYVFIVKAIFAHEAAMRAQAKKMNVSTLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-NEADAQRAEIRIAKTALVNVS +LWFICWTPYALISLKGVM--GDTSG-ITPLVSTLPALLAKSCSCYNPFVYAISHPKYRLA +ITQHLPWF--CVHETETKSNDDSQSNS-TVAQDKA------------------------- +------------------------------------------------------------ +--------------- +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +M-----------ANVTGPQMAFYGSGAATFGYPE---GMTVADFVPDRVKH--------- +------------------MVLDHWYNYP----------PVNPMWHYLLGVVYLFLGVISI +AGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTTN-FPPFCYNCFSGGRWM--FSGT +YCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNGP-KLTQGKATFMCGLAWVISVGW +-SLPPFF-GWG-----SYTLEGILDSCSYDYFTRD--MNTITYNICIFIFDFFLPASVIV +FSYVFIVKAIFAHEAAMRAQAKKMNVTNLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-NEAETQRAEIRIAKTALVNVS +LWFICWTPYAAITIQGLL--GNAEG-ITPLLTTLPALLAKSCSCYNPFVYAISHPKFRLA +ITQHLPWF--CVHEKDPNDVEENQSSN-TQTQEKS------------------------- +------------------------------------------------------------ +--------------- +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +ME-----SFAVAAAQLGPHFAPLS-------------NGSVVDKVTPDMAH--------- +------------------LISPYWNQFP----------AMDPIWAKILTAYMIMIGMISW +CGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINLYF-ETWV--LGPM +MCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGR-PMTIPLALGKM---------- +-----------------YVPEGNLTSCGIDYLERD--WNPRSYLIFYSIFVYYIPLFLIC +YSYWFIIAAVSAHEKAMREQAKKMNVKSLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-SEDAEKSAEGKLAKVALVTIT +LWFMAWTPYLVINCMGLF---KFEG-LTPLNTIWGACFAKSAACYNPIVYGISHPKYRLA +LKEKCPCC--VFGKVDDGKSSDAQSQA-TASEAESKA----------------------- +------------------------------------------------------------ +--------------- +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +ME-----SFAVAAAQLGPHFAPLS-------------NGSVVDKVTPDMAH--------- +------------------LISPYWNQFP----------AMDPIWAKILTAYMIMIGMISW +CGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINLYF-ETWV--LGPM +MCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGR-PMTIPLALGKIAYIWFMSSIW +-CLAPAF-GWS-----RYVPEGNLTSCGIDYLERD--WNPRSYLIFYSIFVYYIPLFLIC +YSYWFIIAAVSAHEKAMREQAKKMNVKSLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-SEDAEKSAEGKLAKVALVTIT +LWFMAWTPYLVINCMGLF---KFEG-LTPLNTIWGACFAKSAACYNPIVYGISHPKYRLA +LKEKCPCC--VFGKVDDGKSSDAQSQA-TASEAESKA----------------------- +------------------------------------------------------------ +--------------- +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +MD-----SFAAVATQLGPQFAAPS-------------NGSVVDKVTPDMAH--------- +------------------LISPYWDQFP----------AMDPIWAKILTAYMIIIGMISW +CGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-TPMMGINLYF-ETWV--LGPM +MCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAGR-PMTIPLALGKIAYIWFMSTIW +CCLAPVF-GWS-----RYVPEGNLTSCGIDYLERD--WNPRSYLIFYSIFVYYIPLFLIC +YSYWFIIAAVSAHEKAMREQAKKMNVKSLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-SEDADKSAEGKLAKVALVTIS +LWFMAWTPYLVINCMGLF---KFEG-LTPLNTIWGACFAKSAACYNPIVYGISHPKYRLA +LKEKCPCC--VFGKVDDGKSSEAQSQA-TTSEAESKA----------------------- +------------------------------------------------------------ +--------------- +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +MERSHLPETPFDLAHSGPRFQAQSSG-----------NGSVLDNVLPDMAH--------- +------------------LVNPYWSRFA----------PMDPMMSKILGLFTLAIMIISC +CGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMIINFYY-ETWV--LGPL +WCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGINGT-PMTIKTSIMKILFIWMMAVFW +-TVMPLI-GWS-----AYVPEGNLTACSIDYMTRM--WNPRSYLITYSLFVYYTPLFLIC +YSYWFIIAAVAAHEKAMREQAKKMNVKSLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-SEDCDKSAEGKLAKVALTTIS +LWFMAWTPYLVICYFGLF---KIDG-LTPLTTIWGATFAKTSAVYNPIVYGISHPKYRIV +LKEKCPMC--VFGNTDEPKPDAPASDTETTSEADSKA----------------------- +------------------------------------------------------------ +--------------- +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +MERSLLPEPPLAMALLGPRFEAQTGG-----------NRSVLDNVLPDMAP--------- +------------------LVNPHWSRFA----------PMDPTMSKILGLFTLVILIISC +CGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-SPVMIINFYY-ETWV--LGPL +WCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGINGT-PMTIKTSIMKIAFIWMMAVFW +-TIMPLI-GWS-----SYVPEGNLTACSIDYMTRQ--WNPRSYLITYSLFVYYTPLFMIC +YSYWFIIATVAAHEKAMRDQAKKMNVKSLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-SEDCDKSAENKLAKVALTTIS +LWFMAWTPYLIICYFGLF---KIDG-LTPLTTIWGATFAKTSAVYNPIVYGISHPNDRLV +LKEKCPMC--VCGTTDEPKPDAPPSDTETTSEAESKD----------------------- +------------------------------------------------------------ +--------------- +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +M-----------IAVSGPSYEAFSYGGQARFN-----NQTVVDKVPPDMLH--------- +------------------LIDANWYQYP----------PLNPMWHGILGFVIGMLGFVSA +MGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFCM-SPPMVINCYY-ETWV--LGPL +FCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSGK-PLSINGALIRIIAIWLFSLGW +-TIAPMF-GWN-----RYVPEGNMTACGTDYFNRG--LLSASYLVCYGIWVYFVPLFLII +YSYWFIIQAVAAHEKNMREQAKKMNVASLR------------------------------ +------------------------------------------------------------ +-------------------------------------S-SENQNTSAECKLAKVALMTIS +LWFMAWTPYLVINFSGIF---NLVK-ISPLFTIWGSLFAKANAVYNPIVYGISHPKYRAA +LFAKFPSL--ACAA-EPSSDAVSTTSG-TTTVTDNEKSNA-------------------- +------------------------------------------------------------ +--------------- +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +M------ANQLSYSSLGWPYQP---------------NASVVDTMPKEMLY--------- +------------------MIHEHWYAFP----------PMNPLWYSILGVAMIILGIICV +LGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAFM-MPTMTSNCFA-ETWI--LGPF +MCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAAA-PLTHKKATLLLLFVWIWSGGW +-TILPFF-GWS-----RYVPEGNLTSCTVDYLTKD--WSSASYVVIYGLAVYFLPLITMI +YCYFFIVHAVAEHEKQLREQAKKMNVASLR------------------------------ +------------------------------------------------------------ +-------------------------------------ANADQQKQSAECRLAKVAMMTVG +LWFMAWTPYLIISWAGVF--SSGTR-LTPLATIWGSVFAKANSCYNPIVYGISHPRYKAA +LYQRFPSL--ACGSGESGSDVKSEASA-TTTMEEKPKIPEA------------------- +------------------------------------------------------------ +--------------- +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +M-------------------------------VESTTLVNQTWWYNPTV----------- +------------------DIHPHWAKFD----------PIPDAVYYSVGIFIGVVGIIGI +LGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAINGFPLKTISAFM-KKWI--FGKV +ACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAASKKMSHRRAFLMIIFVWMWSIVW +-SVGPVF-NWG-----AYVPEGILTSCSFDYLSTD--PSTRSFILCMYFCGFMLPIIIIA +FCYFNIVMSVSNHEKEMAAMAKRLNAKELR------------------------------ +------------------------------------------------------------ +---------------------------------------KAQAGASAEMKLAKISMVIIT +QFMLSWSPYAIIALLAQF--GPAEW-VTPYAAELPVLFAKASAIHNPIVYSVSHPKFREA +IQTTFPWLLTCCQFDEKECEDANDAEE-EVVASER--GGESRDAAQMKEMMAMMQKMQAQ +QAAYQP---PPPPQGYPPQGYPPQGAYPPPQGYPPQGYPPQGYPPQGYPPQGAPPQVEAP +QGAPPQGVDNQAYQA +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +M--------------------------------GRDLRDNETWWYNPSI----------- +------------------VVHPHWREFD----------QVPDAVYYSLGIFIGICGIIGC +GGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNGFPLMTISCFL-KKWI--FGFA +ACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASKKMSHRRAFIMIIFVWLWSVLW +-AIGPIF-GWG-----AYTLEGVLCNCSFDYISRD--STTRSNILCMFILGFFGPILIIF +FCYFNIVMSVSNHEKEMAAMAKRLNAKELR------------------------------ +------------------------------------------------------------ +---------------------------------------KAQAGANAEMRLAKISIVIVS +QFLLSWSPYAVVALLAQF--GPLEW-VTPYAAQLPVMFAKASAIHNPMIYSVSHPKFREA +ISQTFPWVLTCCQFDDKETEDDKDAET-EIPAGESSDAAPSADAAQMKEMMAMMQKMQQQ +QAAYPPQGYAPPPQGYPPQGYPPQGY--PPQGYPPQGYPP---PPQGAPPQGAPP----- +-AAPPQGVDNQAYQA +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +M--------------------------------------------PHLLSGFLEVTA--- +------------------SPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTI +AGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVSVTDLIGGKWI--FGHF +FCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASI +-TLPPLF-GWA-----QNVNDDKVCLISQDF----------GYTIYSTAVAFYIPMSVML +FMYYQIYKAARKSAAKHKFP--------------GFPRVQPESVISLNGVVKLQKEVEE- +------------------------------------------------------------ +---------------------------CANLSRLLKHERKNISIFKREQKAATTLGIIVG +AFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRPT +SRSLL-----QCQYRNINRKLSAAGMH-EALKLAERPERSEFVLQNSDHCGKKGHDT--- +------------------------------------------------------------ +--------------- +> 31=p A47425 serotonin receptor 5HT-7 - rat +M--------------------------------------------PHLLSGFLEVTA--- +------------------SPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTI +AGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-MPFVSVTDLIGGKWI--FGHF +FCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASI +-TLPPLF-GWA-----QNVNDDKVCLISQDF----------GYTIYSTAVAFYIPMSVML +FMYYQIYKAARKSAAKHKFP--------------GFPRVQPESVISLNGVVKLQKEVEE- +------------------------------------------------------------ +---------------------------CANLSRLLKHERKNISIFKREQKAATTLGIIVG +AFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTT +YRSLL-----QCQYRNINRKLSAAGMH-EALKLAERPERSEFVLQNSDHCGKKGHDT--- +------------------------------------------------------------ +--------------- +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +MDVLSPGQGNNTTSPPAPF----------------------------------------- +------------------ETGGNTTGIS----------DVTVSYQVITSLLLGTLIFCAV +LGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAALYQVL-NKWT--LGQV +TCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLI +-SIPPML-GWRTP---EDRSDPDACTISKDH----------GYTIYSTFGAFYIPLLLML +VLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKS---------VNGESGSRNW +RLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFER +KNERNA-------------------------------EAKRKMALARERKTVKTLGIIMG +TFILCWLPFFIVALVLPF-CESSCH-MPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNA +FKKII-----KCKFCRQ------------------------------------------- +------------------------------------------------------------ +--------------- +> 33=p A35181 serotonin receptor class 1A - rat +MDVFSFGQGNNTTASQEPF----------------------------------------- +------------------GTGGNVTSIS----------DVTFSYQVITSLLLGTLIFCAV +LGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-LPMAALYQVL-NKWT--LGQV +TCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLI +-SIPPML-GWRTP---EDRSDPDACTISKDH----------GYTIYSTFGAFYIPLLLML +VLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKS---------LNGQPGSGDW +RRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLER +KNERNA-------------------------------EAKRKMALARERKTVKTLGIIMG +TFILCWLPFFIVALVLPF-CESSCH-MPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNA +FKKII-----KCKFCRR------------------------------------------- +------------------------------------------------------------ +--------------- +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRDNASANDTSATNMTDDRYWSLT----------VYSHEHLVLTSVILGLFVLCCI +IGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSVVSEIS-KVWF--LHSE +VCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSARRILLMIMVVWIVALFI +-SIPPLF-GWRDP--NNDPDKTGTCIISQDK----------GYTIFSTVGAFYLPMLVMM +IIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVVSDCNGCNSPDSTTEKK +KRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSSSERLKQIQIETAEAFANGCAEE +ASIAMLERQCNNGKKISSNDTPYS-------------RTREKLELKRERKAARTLAIITG +AFLICWLPFFIIALIGPF--VDPEG-IPPFARSFVLWLGYFNSLLNPIIYTIFSPEFRSA +FQKIL-----FGKYRRGHR----------------------------------------- +------------------------------------------------------------ +--------------- +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +MANFTFGDLALDVARMGGLASTPSGLRSTGLTTPGLSPTGLVTSDFNDSYGLTGQFINGS +HSSRSRDNASANDTSATNMTDDRYWSLT----------VYSHEHLVLTSVILGLFVLCCI +IGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-MPLSVVSEIS-KVWF--LHSE +VCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIRRRSARRILLMIMVVWIVALFI +-SIPPLF-GWRDP--NNDPDKTGTCIISQDK----------GYTIFSTVGAFYLPMLVMM +IIYIRIWLVARSRIRKDKFQMTKARLKTEETTLVASPKTEYSVVSDCNGCNSPDSTTEKK +KRRAPFKSYGCSPRPERKKNRAKKLPENANGVNSNSSSSERLKQIQIETAEAFANGCAEE +ASIAMLERQCNNGKKISSNDTPYS-------------RTREKLELKRERKAARTLAIITG +AFLICWLPFFIIALIGPF--VDPEG-IPPFARSFVLWLGYFNSLLNPIIYTIFSPEFRSA +FQKIL-----FGKYRRGHR----------------------------------------- +------------------------------------------------------------ +--------------- +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +MEGAEGQEELDWEALYLRLPLQNCSWNSTGWEPNWNVTV--------------------- +------------------VPNTTWWQASAPF-----DTPAALVRAAAKAVVLGLLILATV +VGNVFVIAAILLERHLRSAANNLILSLAVADLLVACLV-MPLGAVYEVV-QRWT--LGPE +LCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDYIHASTAKRVGMMIACVWTVSFFV +-CIAQLL-GWKDPDWNQRVSEDLRCVVSQDV----------GYQIFATASSFYVPVLIIL +ILYWRIYQTARKRIRRRRGATARGGV--------GPPPVPAGGALVAGGGSGG------- +-----------------------------IAAAVVAVIGRPLPTISETTTTGFTNVSSNN +TSPE--KQSCANGLEADPPTTGYGAVAAAYYPSLVRRKPKEAADSKRERKAAKTLAIITG +AFVACWLPFFVLAILVPT---CDCE-VSPVLTSLSLWLGYFNSTLNPVIYTVFSPEFRHA +FQRLL-----CGRRVRRRRAPQ-------------------------------------- +------------------------------------------------------------ +--------------- diff --git a/binaries/src/mafft/test/sample.parttree b/binaries/src/mafft/test/sample.parttree new file mode 100644 index 0000000..e82ff0e --- /dev/null +++ b/binaries/src/mafft/test/sample.parttree @@ -0,0 +1,540 @@ +> 1== M63632 1 Lampetra japonica rhodopsin <>[BBRC174,1125-1132'91] +M----------------------------------------------------------- +------------------------------NGTE--GDNFYV----PF------------ +--------------------------SNKTGLARSPYEYPQY-YLA-----EPWK----- +----YSALAAYMFFLILVGFPVNFLTLFVTVQHKKLRTPLNYILLNLAMANLFMVLFG-F +TVTMYTS-MN-GYFV--FGPTMCSIEGFFATLGGEVALWSLVVLAIERYIVICKPMGN-F +RFGNTHAIMGVAFTWIMALAC-AAPPLVG-W-----SRYIPEGMQCSCGPDYYTLNPNFN +NESYVVYMFVVHFLVPFVIIFFCYGRLLCTV----KEAAAAQQE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SASTQKAEKEVTRMV +VLMVIGFLVCWVPYASVAFYIFT-HQG-S--DFGATFMTLPAFFAKSSALYNPVIYILMN +KQFRNCMITTLC-C---GKNP------------------------------LGDDE--SG +ASTSKT-E--VSSVS-TSPV---------------------------------------- +---------------------------------------------SP-A--- +> 2== U22180 1 rat opsin [J.Mol.Neurosci.5(3),207-209'94] +M----------------------------------------------------------- +------------------------------NGTE--GPNFYV----PF------------ +--------------------------SNITGVVRSPFEQPQY-YLA-----EPWQ----- +----FSMLAAYMFLLIVLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGG-F +TTTLYTS-LH-GYFV--FGPTGCNLEGFFATLGGEIGLWSLVVLAIERYVVVCKPMSN-F +RFGENHAIMGVAFTWVMALAC-AAPPLVG-W-----SRYIPEGMQCSCGIDYYTLKPEVN +NESFVIYMFVVHFTIPMIVIFFCYGQLVFTV----KEAAAQQQE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SATTQKAEKEVTRMV +IIMVIFFLICWLPYASVAMYIFT-HQG-S--NFGPIFMTLPAFFAKTASIYNPIIYIMMN +KQFRNCMLTSLC-C---GKNP------------------------------LGDDE--AS +ATASKT-E--------TSQV---------------------------------------- +---------------------------------------------AP-A--- +> 3== M92038 1 chicken green sensitive cone opsin [PNAS89,5932-5936'9 +M----------------------------------------------------------- +------------------------------NGTE--GINFYV----PM------------ +--------------------------SNKTGVVRSPFEYPQY-YLA-----EPWK----- +----YRLVCCYIFFLISTGLPINLLTLLVTFKHKKLRQPLNYILVNLAVADLFMACFG-F +TVTFYTA-WN-GYFV--FGPVGCAVEGFFATLGGQVALWSLVVLAIERYIVVCKPMGN-F +RFSATHAMMGIAFTWVMAFSC-AAPPLFG-W-----SRYMPEGMQCSCGPDYYTHNPDYH +NESYVLYMFVIHFIIPVVVIFFSYGRLICKV----REAAAQQQE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SATTQKAEKEVTRMV +ILMVLGFMLAWTPYAVVAFWIFT-NKG-A--DFTATLMAVPAFFSKSSSLYNPIIYVLMN +KQFRNCMITTIC-C---GKNP------------------------------FGDEDVSST +VSQSKT-E--VSSVS-SSQV---------------------------------------- +---------------------------------------------SP-A--- +> 4=p A45229 opsin, green-sensitive (clone GFgr-1) - goldfish +M----------------------------------------------------------- +------------------------------NGTE--GKNFYV----PM------------ +--------------------------SNRTGLVRSPFEYPQY-YLA-----EPWQ----- +----FKILALYLFFLMSMGLPINGLTLVVTAQHKKLRQPLNFILVNLAVAGTIMVCFG-F +TVTFYTA-IN-GYFV--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-F +KFSSSHAFAGIAFTWVMALAC-AAPPLFG-W-----SRYIPEGMQCSCGPDYYTLNPDYN +NESYVIYMFVCHFILPVAVIFFTYGRLVCTV----KAAAAQQQD---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SASTQKAEREVTKMV +ILMVFGFLIAWTPYATVAAWIFF-NKG-A--DFSAKFMAIPAFFSKSSALYNPVIYVLLN +KQFRNCMLTTIF-C---GKNP------------------------------LGDDE-SST +VSTSKT-E--VSS------V---------------------------------------- +---------------------------------------------SP-A--- +> 5=p B45229 opsin, green-sensitive (clone GFgr-2) - goldfish +M----------------------------------------------------------- +------------------------------NGTE--GNNFYV----PL------------ +--------------------------SNRTGLVRSPFEYPQY-YLA-----EPWQ----- +----FKLLAVYMFFLICLGLPINGLTLICTAQHKKLRQPLNFILVNLAVAGAIMVCFG-F +TVTFYTA-IN-GYFA--LGPTGCAVEGFMATLGGEVALWSLVVLAIERYIVVCKPMGS-F +KFSSTHASAGIAFTWVMAMAC-AAPPLVG-W-----SRYIPEGIQCSCGPDYYTLNPEYN +NESYVLYMFICHFILPVTIIFFTYGRLVCTV----KAAAAQQQD---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SASTQKAEREVTKMV +ILMVLGFLVAWTPYATVAAWIFF-NKG-A--AFSAQFMAIPAFFSKTSALYNPVIYVLLN +KQFRSCMLTTLF-C---GKNP------------------------------LGDEE-SST +VSTSKT-E--VSS------V---------------------------------------- +---------------------------------------------SP-A--- +> 6== L11864 1 Carassius auratus blue cone opsin [Biochemistry32,208- +M----------------------------------------------------------- +------------------------------KQVPEFHEDFYI----PIPL---------- +------------------------DINNLS--AYSPFLVPQD-HLG-----NQGI----- +----FMAMSVFMFFIFIGGASINILTILCTIQFKKLRSHLNYILVNLSIANLFVAIFG-S +PLSFYSF-FN-RYFI--FGATACKIEGFLATLGGMVGLWSLAVVAFERWLVICKPLGN-F +TFKTPHAIAGCILPWISALAA-SLPPLFG-W-----SRYIPEGLQCSCGPDWYTTNNKYN +NESYVMFLFCFCFAVPFGTIVFCYGQLLITL----KLAAKAQAD---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SASTQKAEREVTKMV +VVMVLGFLVCWAPYASFSLWIVS-HRG-E--EFDLRMATIPSCLSKASTVYNPVIYVLMN +KQFRSCMM-KMV-C---GKN-------------------------------IEEDE--AS +TSSQVT-Q--VSS------V---------------------------------------- +---------------------------------------------APEK--- +> 7== M13299 1 human BCP <>[Science232(4747),193-202'86] +M----------------------------------------------------------- +------------------------------RKMS--EEEFYL-------F---------- +--------------------------KNISSV--GPWDGPQY-HIA-----PVWA----- +----FYLQAAFMGTVFLIGFPLNAMVLVATLRYKKLRQPLNYILVNVSFGGFLLCIFS-V +FPVFVAS-CN-GYFV--FGRHVCALEGFLGTVAGLVTGWSLAFLAFERYIVICKPFGN-F +RFSSKHALTVVLATWTIGIGV-SIPPFFG-W-----SRFIPEGLQCSCGPDWYTVGTKYR +SESYTWFLFIFCFIVPLSLICFSYTQLLRAL----KAVAAQQQE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SATTQKAEREVSRMV +VVMVGSFCVCYVPYAAFAMYMVN-NRN-H--GLDLRLVTIPSFFSKSACIYNPIIYCFMN +KQFQACIM-KMV-C---GKA-------------------------------MTDES--DT +CSSQKT-E--VSTVS-STQV---------------------------------------- +---------------------------------------------GP-N--- +> 8=opsin, greensensitive human (fragment) S07060 +------------------------------------------------------------ +------------------------------------------------------------ +------------------------------------------------------------ +--------------------------------------------------DLAETVIA-S +TISIVNQ-VS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-V +RFDAKLAIVGIAFSWIWAAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPG +VQSYMIVLMVTCCITPLSIIVLCYLQVWLAI----RAVAKQQKE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SESTQKAEKEVTRMV +VVMVLAFC---------------------------------------------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------------- +> 9== K03494 1 human GCP <>[Science232(4747),193-202'86] +M-------------AQQWSLQRLA--GRHPQDSYE------------------------- +------------------------------DSTQ--SSIFTY----TN------------ +--------------------------SNST---RGPFEGPNY-HIA-----PRWV----- +----YHLTSVWMIFVVIASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-S +TISVVNQ-VY-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWMVVCKPFGN-V +RFDAKLAIVGIAFSWIWAAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPG +VQSYMIVLMVTCCITPLSIIVLCYLQVWLAI----RAVAKQQKE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SESTQKAEKEVTRMV +VVMVLAFCFCWGPYAFFACFAAA-NPG-Y--PFHPLMAALPAFFAKSATIYNPVIYVFMN +RQFRNCIL-QLF-----GKK-------------------------------VDDGS--EL +SSASKT-E--VSSV---SSV---------------------------------------- +---------------------------------------------SP-A--- +> 10== Z68193 1 human Red Opsin <>[] +M-------------AQQWSLQRLA--GRHPQDSYE------------------------- +------------------------------DSTQ--SSIFTY----TN------------ +--------------------------SNST---RGPFEGPNY-HIA-----PRWV----- +----YHLTSVWMIFVVTASVFTNGLVLAATMKFKKLRHPLNWILVNLAVADLAETVIA-S +TISIVNQ-VS-GYFV--LGHPMCVLEGYTVSLCGITGLWSLAIISWERWLVVCKPFGN-V +RFDAKLAIVGIAFSWIWSAVW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSYPG +VQSYMIVLMVTCCIIPLAIIMLCYLQVWLAI----RAVAKQQKE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SESTQKAEKEVTRMV +VVMIFAYCVCWGPYTFFACFAAA-NPG-Y--AFHPLMAALPAYFAKSATIYNPVIYVFMN +RQFRNCIL-QLF-----GKK-------------------------------VDDGS--EL +SSASKT-E--VSSV---SSV---------------------------------------- +---------------------------------------------SP-A--- +> 11== M92036 1 Gecko gecko P521 [PNAS89,6841-6845'92] +M-------------TEAWNVAVFA--ARRSRDD-D------------------------- +------------------------------DTTR--GSVFTY----TN------------ +--------------------------TNNT---RGPFEGPNY-HIA-----PRWV----- +----YNLVSFFMIIVVIASCFTNGLVLVATAKFKKLRHPLNWILVNLAFVDLVETLVA-S +TISVFNQ-IF-GYFI--LGHPLCVIEGYVVSSCGITGLWSLAIISWERWFVVCKPFGN-I +KFDSKLAIIGIVFSWVWAWGW-SAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSVELG +CQSFMLTLMITCCFLPLFIIIVCYLQVWMAI----RAVAAQQKE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SESTQKAEREVSRMV +VVMIVAFCICWGPYASFVSFAAA-NPG-Y--AFHPLAAALPAYFAKSATIYNPVIYVFMN +RQFRNCIM-QLF-----GKK-------------------------------VDDGS--EA +STTSRT-E--VSSVS-NSSV---------------------------------------- +---------------------------------------------AP-A--- +> 12== M62903 1 chicken visual pigment <>[BBRC173,1212-1217'90] +M-------------AA-WEAAFAA--RRRHEE--E------------------------- +------------------------------DTTR--DSVFTY----TN------------ +--------------------------SNNT---RGPFEGPNY-HIA-----PRWV----- +----YNLTSVWMIFVVAASVFTNGLVLVATWKFKKLRHPLNWILVNLAVADLGETVIA-S +TISVINQ-IS-GYFI--LGHPMCVVEGYTVSACGITALWSLAIISWERWFVVCKPFGN-I +KFDGKLAVAGILFSWLWSCAW-TAPPIFG-W-----SRYWPHGLKTSCGPDVFSGSSDPG +VQSYMVVLMVTCCFFPLAIIILCYLQVWLAI----RAVAAQQKE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------SESTQKAEKEVSRMV +VVMIVAYCFCWGPYTFFACFAAA-NPG-Y--AFHPLAAALPAYFAKSATIYNPIIYVFMN +RQFRNCIL-QLF-----GKK-------------------------------VDDGS--EV +ST-SRT-E--VSSVS-NSSV---------------------------------------- +---------------------------------------------SP-A--- +> 13== S75720 1 chicken P-opsin <>[Science267(5203),1502-1506'95] +M-------------S-------------------S------------------------- +------------------------------NSSQ--AP---------------------- +--------------------------PNGT---PGPFDGPQWPYQA-----PQST----- +----YVGVAVLMGTVVACASVVNGLVIVVSICYKKLRSPLNYILVNLAVADLLVTLCG-S +SVSLSNN-IN-GFFV--FGRRMCELEGFMVSLTGIVGLWSLAILALERYVVVCKPLGD-F +QFQRRHAVSGCAFTWGWALLW-SAPPLLG-W-----SSYVPEGLRTSCGPNWYTGGSNN- +-NSYILSLFVTCFVLPLSLILFSYTNLLLTL----RAAAAQQKE---------------- +------------------------------------------------------------ +------------------------------------------------------------ +---------------------------------------------ADTTQRAEREVTRMV +IVMVMAFLLCWLPYSTFALVVAT-HKG-I--IIQPVLASLPSYFSKTATVYNPIIYVFMN +KQFQSCLL-EMLCCGYQPQR-------------------------------TGKAS--PG +TPGPHA-D--VTAAGLRNKV---------------------------------------- +---------------------------------------------MP-AHPV +> 14== M17718 1 D.melanogaster Rh3 <>[J.Neurosci.7,1550-1557'87] +M---------------------------------ES-G---------------------- +------------------------------NVSS---------------SLFGNVSTALR +PEARLSA---ETRLLGWNVPPEELR------------------HIP-----EHWLTYPEP +PESMNYLLGTLYIFFTLMSMLGNGLVIWVFSAAKSLRTPSNILVINLAFCDFMMMVK--T +PIFIYNS-FH-QGYA--LGHLGCQIFGIIGSYTGIAAGATNAFIAYDRFNVITRPMEG-- +KMTHGKAIAMIIFIYMYATPW-VVACYTETW-----GRFVPEGYLTSCTFDYLT--DNFD +TRLFVACIFFFSFVCPTTMITYYYSQIVGHVFSHEKALRDQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVESL---------------------RS-NVDKNKETAEIRIAKAA +ITICFLFFCSWTPYGVMSLIGAF-GDK-T--LLTPGATMIPACACKMVACIDPFVYAISH +PRYRMELQ---------KRCP------------------WLALNEKAPE--SSAVA--ST +STTQEP-Q-------------------------QT------------------------- +---------------------------------------------TA-A--- +> 15== X65879 1 Drosophila pseudoobscura Dpse\Rh3 <>[Genetics132(1),193-204'92 +M---------------------------------EY-H---------------------- +------------------------------NVSS---------------VL-GNVSSVLR +PDARLSA---ESRLLGWNVPPDELR------------------HIP-----EHWLIYPEP +PESMNYLLGTLYIFFTVISMIGNGLVMWVFSAAKSLRTPSNILVINLAFCDFMMMIK--T +PIFIYNS-FH-QGYA--LGHLGCQIFGVIGSYTGIAAGATNAFIAYDRYNVITRPMEG-- +KMTHGKAIAMIIFIYLYATPW-VVACYTESW-----GRFVPEGYLTSCTFDYLT--DNFD +TRLFVACIFFFSFVCPTTMITYYYSQIVGHVFSHEKALRDQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVDSL---------------------RS-NVDKSKEAAEIRIAKAA +ITICFLFFASWTPYGVMSLIGAF-GDK-T--LLTPGATMIPACTCKMVACIDPFVYAISH +PRYRMELQ---------KRCP------------------WLAISEKAPE--SRAAI--ST +STTQEQ-Q-------------------------QT------------------------- +---------------------------------------------TA-A--- +> 16== M17730 1 D.melanogaster Rh4 opsin <>[J.Neurosci.7,1558-1566'87] +M---------------------------------EPLC---------------------- +------------------------------NASE---------------PP-------LR +PEAR-SSGNGDLQFLGWNVPPDQIQ------------------YIP-----EHWLTQLEP +PASMHYMLGVFYIFLFCASTVGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--A +PIF--NS-FH-RGFAIYLGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR-- +NMTFTKAVIMNIIIWLYCTPW-VVLPLTQFW-----DRFVPEGYLTSCSFDYLS--DNFD +TRLFVGTIFFFSFVCPTLMILYYYSQIVGHVFSHEKALREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVESL---------------------RS-NVDKSKETAEIRIAKAA +ITICFLFFVSWTPYGVMSLIGAF-GDK-S--LLTQGATMIPACTCKLVACIDPFVYAISH +PRYRLELQ---------KRCP------------------WLGVNEKSGE--ISSAQ--ST +-TTQEQ-Q-------------------------QT------------------------- +---------------------------------------------TA-A--- +> 17== X65880 1 Drosophila pseudoobscura Dpse\Rh4 <>[Genetics132(1),193-204'92 +M---------------------------------DALC---------------------- +------------------------------NASE---------------PP-------LR +PEARMSSGSDELQFLGWNVPPDQIQ------------------YIP-----EHWLTQLEP +PASMHYMLGVFYIFLFFASTLGNGMVIWIFSTSKSLRTPSNMFVLNLAVFDLIMCLK--A +PIFIYNS-FH-RGFA--LGNTWCQIFASIGSYSGIGAGMTNAAIGYDRYNVITKPMNR-- +NMTFTKAVIMNIIIWLYCTPW-VVLPLTQFW-----DRFVPEGYLTSCSFDYLS--DNFD +TRLFVGTIFLFSFVVPTLMILYYYSQIVGHVFNHEKALREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVESL---------------------RS-NVDKSKETAEIRIAKAA +ITICFLFFVSWTPYGVMSLIGAF-GDK-S--LLTPGATMIPACTCKLVACIEPFVYAISH +PRYRMELQ---------KRCP------------------WLGVNEKSGE--ASSAQ--ST +-TTQEQTQ-------------------------QT------------------------- +---------------------------------------------SA-A--- +> 18== D50584 1 Hemigrapsus sanguineus opsin BcRh2 [J.Exp.Biol.1 +M---------------------------------------------TNATGPQMAYYG-- +---AASMDFGYPE-----------------GVSI---------------VD--------- +-----------------FVRPEIKP------------------YVH-----QHWYNYPPV +NPMWHYLLGVIYLFLGTVSIFGNGLVIYLFNKSAALRTPANILVVNLALSDLIMLTTN-V +PFFTYNC-FSGGVWM--FSPQYCEIYACLGAITGVCSIWLLCMISFDRYNIICNGFNG-P +KLTTGKAVVFALISWVIAIGC-ALPPFFG-W-----GNYILEGILDSCSYDYLT--QDFN +TFSYNIFIFVFDYFLPAAIIVFSYVFIVKAIFAHEAAMRAQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVSTL---------------------RS-N-EADAQRAEIRIAKTA +LVNVSLWFICWTPYALISLKGVM-GDT-S--GITPLVSTLPALLAKSCSCYNPFVYAISH +PKYRLAIT---------QHLP------------------WFCVHETETKS-NDDSQ--SN +STVAQ------------------------------------------------------- +---------------------------------------------DK-A--- +> 19== D50583 1 Hemigrapsus sanguineus opsin BcRh1 [J.Exp.Biol.1 +M---------------------------------------------ANVTGPQMAFYG-- +---SGAATFGYPE-----------------GMTV---------------AD--------- +-----------------FVPDRVKH------------------MVL-----DHWYNYPPV +NPMWHYLLGVVYLFLGVISIAGNGLVIYLYMKSQALKTPANMLIVNLALSDLIMLTTN-F +PPFCYNC-FSGGRWM--FSGTYCEIYAALGAITGVCSIWTLCMISFDRYNIICNGFNG-P +KLTQGKATFMCGLAWVISVGW-SLPPFFG-W-----GSYTLEGILDSCSYDYFT--RDMN +TITYNICIFIFDFFLPASVIVFSYVFIVKAIFAHEAAMRAQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVTNL---------------------RS-N-EAETQRAEIRIAKTA +LVNVSLWFICWTPYAAITIQGLL-GNA-E--GITPLLTTLPALLAKSCSCYNPFVYAISH +PKFRLAIT---------QHLP------------------WFCVHEKDPND-VEENQ--SS +NTQTQ------------------------------------------------------- +---------------------------------------------EK-S--- +> 20== K02320 1 D.melanogaster opsin <>[Cell40,851-858'85] +M---------------------------------E------SFAVAAAQLGPHFAPLS-- +------------------------------NGSV---------------VD--------- +-----------------KVTPDMAH------------------LIS-----PYWNQFPAM +DPIWAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-T +PMMGINL-YF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-R +PMTIPLALGKM---------------------------YVPEGNLTSCGIDYLE--RDWN +PRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVKSL---------------------RS-S-EDAEKSAEGKLAKVA +LVTITLWFMAWTPYLVINCMGLF--KF-E--GLTPLNTIWGACFAKSAACYNPIVYGISH +PKYRLALK---------EKCP------------------CCVFGKVDDGK-SSDAQ--SQ +ATASEA-E---------------------------------------------------- +---------------------------------------------SK-A--- +> 21== K02315 1 D.melanogaster ninaE <>[Cell40,839-850'85] +M---------------------------------E------SFAVAAAQLGPHFAPLS-- +------------------------------NGSV---------------VD--------- +-----------------KVTPDMAH------------------LIS-----PYWNQFPAM +DPIWAKILTAYMIMIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-T +PMMGINL-YF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-R +PMTIPLALGKIAYIWFMSSIW-CLAPAFG-W-----SRYVPEGNLTSCGIDYLE--RDWN +PRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVKSL---------------------RS-S-EDAEKSAEGKLAKVA +LVTITLWFMAWTPYLVINCMGLF--KF-E--GLTPLNTIWGACFAKSAACYNPIVYGISH +PKYRLALK---------EKCP------------------CCVFGKVDDGK-SSDAQ--SQ +ATASEA-E---------------------------------------------------- +---------------------------------------------SK-A--- +> 22== X65877 1 Drosophila pseudoobscura Dpse\ninaE <>[Genetics132(1),193-204' +M---------------------------------D------SFAAVATQLGPQFAAPS-- +------------------------------NGSV---------------VD--------- +-----------------KVTPDMAH------------------LIS-----PYWDQFPAM +DPIWAKILTAYMIIIGMISWCGNGVVIYIFATTKSLRTPANLLVINLAISDFGIMITN-T +PMMGINL-YF-ETWV--LGPMMCDIYAGLGSAFGCSSIWSMCMISLDRYQVIVKGMAG-R +PMTIPLALGKIAYIWFMSTIWCCLAPVFG-W-----SRYVPEGNLTSCGIDYLE--RDWN +PRSYLIFYSIFVYYIPLFLICYSYWFIIAAVSAHEKAMREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVKSL---------------------RS-S-EDADKSAEGKLAKVA +LVTISLWFMAWTPYLVINCMGLF--KF-E--GLTPLNTIWGACFAKSAACYNPIVYGISH +PKYRLALK---------EKCP------------------CCVFGKVDDGK-SSEAQ--SQ +ATTSEA-E---------------------------------------------------- +---------------------------------------------SK-A--- +> 23== M12896 1 D.melanogaster Rh2 <>[Cell44,705-710'86] +M---------------------------------ER-SHLPETPFDLAHSGPRFQAQS-- +---SG-------------------------NGSV---------------LD--------- +-----------------NVLPDMAH------------------LVN-----PYWSRFAPM +DPMMSKILGLFTLAIMIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-S +PVMIINF-YY-ETWV--LGPLWCDIYAGCGSLFGCVSIWSMCMIAFDRYNVIVKGING-T +PMTIKTSIMKILFIWMMAVFW-TVMPLIG-W-----SAYVPEGNLTACSIDYMT--RMWN +PRSYLITYSLFVYYTPLFLICYSYWFIIAAVAAHEKAMREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVKSL---------------------RS-S-EDCDKSAEGKLAKVA +LTTISLWFMAWTPYLVICYFGLF--KI-D--GLTPLTTIWGATFAKTSAVYNPIVYGISH +PKYRIVLK---------EKCP------------------MCVFGNTDEPKPDAPAS--DT +ETTSEA-D---------------------------------------------------- +---------------------------------------------SK-A--- +> 24== X65878 1 Drosophila pseudoobscura Dpse\Rh2 <>[Genetics132(1),193-204'92 +M---------------------------------ER-SLLPEPPLAMALLGPRFEAQT-- +---GG-------------------------NRSV---------------LD--------- +-----------------NVLPDMAP------------------LVN-----PHWSRFAPM +DPTMSKILGLFTLVILIISCCGNGVVVYIFGGTKSLRTPANLLVLNLAFSDFCMMASQ-S +PVMIINF-YY-ETWV--LGPLWCDIYAACGSLFGCVSIWSMCMIAFDRYNVIVKGING-T +PMTIKTSIMKIAFIWMMAVFW-TIMPLIG-W-----SSYVPEGNLTACSIDYMT--RQWN +PRSYLITYSLFVYYTPLFMICYSYWFIIATVAAHEKAMRDQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVKSL---------------------RS-S-EDCDKSAENKLAKVA +LTTISLWFMAWTPYLIICYFGLF--KI-D--GLTPLTTIWGATFAKTSAVYNPIVYGISH +PNDRLVLK---------EKCP------------------MCVCGTTDEPKPDAPPS--DT +ETTSEA-E---------------------------------------------------- +---------------------------------------------SK-D--- +> 25== U26026 1 Apis mellifera long-wavelength rhodopsin <>[] +M---------------------------------------------IAVSGPSYEAFS-- +---YG----GQAR---------------FNNQTV---------------VD--------- +-----------------KVPPDMLH------------------LID-----ANWYQYPPL +NPMWHGILGFVIGMLGFVSAMGNGMVVYIFLSTKSLRTPSNLFVINLAISNFLMMFCM-S +PPMVINC-YY-ETWV--LGPLFCQIYAMLGSLFGCGSIWTMTMIAFDRYNVIVKGLSG-K +PLSINGALIRIIAIWLFSLGW-TIAPMFG-W-----NRYVPEGNMTACGTDYFN--RGLL +SASYLVCYGIWVYFVPLFLIIYSYWFIIQAVAAHEKNMREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVASL---------------------RS-S-ENQNTSAECKLAKVA +LMTISLWFMAWTPYLVINFSGIF--NL-V--KISPLFTIWGSLFAKANAVYNPIVYGISH +PKYRAALF---------AKFP------------------SLAC-AAEPSS-DAVST--TS +GTTTVT-D---------------------------------------------------- +-----------------------------------------NEK-SN-A--- +> 26== L03781 1 Limulus polyphemus opsin <>[PNAS90,6150-6154'93] +M-----------------------------------------------ANQLSYSSLG-- +---WP----YQP------------------NASV---------------VD--------- +-----------------TMPKEMLY------------------MIH-----EHWYAFPPM +NPLWYSILGVAMIILGIICVLGNGMVIYLMMTTKSLRTPTNLLVVNLAFSDFCMMAFM-M +PTMTSNC-FA-ETWI--LGPFMCEVYGMAGSLFGCASIWSMVMITLDRYNVIVRGMAA-A +PLTHKKATLLLLFVWIWSGGW-TILPFFG-W-----SRYVPEGNLTSCTVDYLT--KDWS +SASYVVIYGLAVYFLPLITMIYCYFFIVHAVAEHEKQLREQAKK---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------MNVASL---------------------RANA-DQQKQSAECRLAKVA +MMTVGLWFMAWTPYLIISWAGVF--SSGT--RLTPLATIWGSVFAKANSCYNPIVYGISH +PRYKAALY---------QRFP------------------SLACGSGESGS-DVKSE--AS +ATTTME-E---------------------------------------------------- +-----------------------------------------KPKIPE-A--- +> 27== X07797 1 Octopus dofleini rhodopsin <>[FEBS232(1),69-72'88] +M----------------------------------------------------------- +---------VESTTLVNQTW-------WY-NPTV---------------D---------- +--------------------------------------------IH-----PHWAKFDPI +PDAVYYSVGIFIGVVGIIGILGNGVVIYLFSKTKSLQTPANMFIINLAMSDLSFSAINGF +PLKTISA-FM-KKWI--FGKVACQLYGLLGGIFGFMSINTMAMISIDRYNVIGRPMAASK +KMSHRRAFLMIIFVWMWSIVW-SVGPVFN-W-----GAYVPEGILTSCSFDYLS--TDPS +TRSFILCMYFCGFMLPIIIIAFCYFNIVMSVSNHEKEMAAMAKR---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------LNAKEL---------------------RK---AQAGASAEMKLAKIS +MVIITQFMLSWSPYAIIALLAQF-GPA-E--WVTPYAAELPVLFAKASAIHNPIVYSVSH +PKFREAIQ---------TTFPWL--------------LTCCQFDEKECED-ANDAE--EE +VVASER---GGESRD-AAQMKEMMAMMQKMQAQQAAYQPPPPPQGY--PPQGYPPQGAYP +PPQGYPPQGYPPQGYPPQGYPPQGAPPQVEAPQGAPPQGVDNQA-YQ-A--- +> 28== X70498 1 Todarodes pacificus rhodopsin [FEBS317(1-2),5-11'93] +M----------------------------------------------------------- +---------GRDLR-DNETW-------WY-NPSI---------------V---------- +--------------------------------------------VH-----PHWREFDQV +PDAVYYSLGIFIGICGIIGCGGNGIVIYLFTKTKSLQTPANMFIINLAFSDFTFSLVNGF +PLMTISC-FL-KKWI--FGFAACKVYGFIGGIFGFMSIMTMAMISIDRYNVIGRPMAASK +KMSHRRAFIMIIFVWLWSVLW-AIGPIFG-W-----GAYTLEGVLCNCSFDYIS--RDST +TRSNILCMFILGFFGPILIIFFCYFNIVMSVSNHEKEMAAMAKR---------------- +------------------------------------------------------------ +------------------------------------------------------------ +-------------LNAKEL---------------------RK---AQAGANAEMRLAKIS +IVIVSQFLLSWSPYAVVALLAQF-GPL-E--WVTPYAAQLPVMFAKASAIHNPMIYSVSH +PKFREAIS---------QTFPWV--------------LTCCQFDDKETED-DKDAE--TE +IPAGES-SDAAPSAD-AAQMKEMMAMMQKMQQQQAAY----PPQGYAPPPQGYPPQGY-- +PPQGYPPQGYPPQGYPP---PPQGAPPQ-GAPPAAPPQGVDNQA-YQ-A--- +> 29== L21195 1 human serotonin 5-HT7 receptor protein 30== L15228 1 rat 5HT-7 serotonin receptor <>[JBC268,18200-18204'93] +M----------------------------------------------------------- +---------------------PHLLSGFL-EVTA--SPAPTW------------------ +-----------------DAPPDNVS-GCGE-------------QIN-------------Y +GRVEKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-M +PFVSVTDLIG-GKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPV +RQNGKCMAKMILSVWLLSASI-TLPPLFG-W-----AQNVNDDKVCLISQDF-------- +--GYTIYSTAVAFYIPMSVMLFMYYQIY-------KAARKSAAKHKF------------- +----PGF---------------------------------PRVQPES------------- +--------VISLNGVVKLQKEV-------------------------------------- +--------EE--CANLSRLLKH------------------ER-K-NISIFKREQKAATTL +GIIVGAFTVCWLPFFLLSTARPFICGT-SCSCIPLWVERTCLWLGYANSLINPFIYAFFN +RDLRPTSR-SLL----------QC---QYRNINRKLSA-------------AGMHE--AL +KLAERP-E--------RSEF-----VL------QN------------------------- +------SDHCGKKGHD--------------------------------T--- +> 31=p A47425 serotonin receptor 5HT-7 - rat +M----------------------------------------------------------- +---------------------PHLLSGFL-EVTA--SPAPTW------------------ +-----------------DAPPDNVS-GCGE-------------QIN-------------Y +GRVEKVVIGSILTLITLLTIAGNCLVVISVSFVKKLRQPSNYLIVSLALADLSVAVAV-M +PFVSVTDLIG-GKWI--FGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPV +RQNGKCMAKMILSVWLLSASI-TLPPLFG-W-----AQNVNDDKVCLISQDF-------- +--GYTIYSTAVAFYIPMSVMLFMYYQIY-------KAARKSAAKHKF------------- +----PGF---------------------------------PRVQPES------------- +--------VISLNGVVKLQKEV-------------------------------------- +--------EE--CANLSRLLKH------------------ER-K-NISIFKREQKAATTL +GIIVGAFTVCWLPFFLLSTARPFICGT-SCSCIPLWVERTCLWLGYANSLINPFIYAFFN +RDLRTTYR-SLL----------QC---QYRNINRKLSA-------------AGMHE--AL +KLAERP-E--------RSEF-----VL------QN------------------------- +------SDHCGKKGHD--------------------------------T--- +> 32== M83181 1 human serotonin receptor <>[JBC267(11),7553-7562'92] +M-DVLSPGQ-----------------GNN-----------------TTSPPAPFETGG-- +------------------------------NTTG--ISDVTV------------------ +------------------------------------------------------------ +--SYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-L +PMAALYQ-VL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVN +KRTPRRAAALISLTWLIGFLI-SIPPMLG-WRTP---EDRSDPDACTISKDH-------- +--GYTIYSTFGAFYIPLLLMLVLYGRIF-------RAARFRIRK---------------- +-----------------------TVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRL +GVESKAGGALCANGAVRQGDDG----AALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASF +ERKN----ERN--------------------A--------EA-K-RKMALARERKTVKTL +GIIMGTFILCWLPFFIVALVLPF-CES-SC-HMPTLLGAIINWLGYSNSLLNPVIYAYFN +KDFQNAFK-KII---------------KCKFCRQ-------------------------- +------------------------------------------------------------ +---------------------------------------------------- +> 33=p A35181 serotonin receptor class 1A - rat +M-DVFSFGQ-----------------GNN-----------------TTASQEPFGTGG-- +------------------------------NVTS--ISDVTF------------------ +------------------------------------------------------------ +--SYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLV-L +PMAALYQ-VL-NKWT--LGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVN +KRTPRRAAALISLTWLIGFLI-SIPPMLG-WRTP---EDRSDPDACTISKDH-------- +--GYTIYSTFGAFYIPLLLMLVLYGRIF-------RAARFRIRK---------------- +-----------------------TVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRR +CAENRAVGTPCTNGAVRQGDDE----ATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACL +ERKN----ERN--------------------A--------EA-K-RKMALARERKTVKTL +GIIMGTFILCWLPFFIVALVLPF-CES-SC-HMPALLGAIINWLGYSNSLLNPVIYAYFN +KDFQNAFK-KII---------------KCKFCRR-------------------------- +------------------------------------------------------------ +---------------------------------------------------- +> 34== L06803 1 Lymnaea stagnalis serotonin receptor <>[PNAS90,11-15'93] +M-ANFTFGDLALDVARMGGLASTPSGLRS-----------------TGLTTPGLSPTG-- +------------------------------LVTS--DFNDSYGLTGQF-IN-GSHS---- +-----------------SRSRDNAS-ANDT-------------SATNMTDDRYWS-LTVY +SHEHLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-M +PLSVVSE-IS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIR +RRSARRILLMIMVVWIVALFI-SIPPLFG-WRDP--NNDPDKTGTCIISQDK-------- +--GYTIFSTVGAFYLPMLVMMIIYIRIW-------LVARSRIRKDKFQMTKARLKTEETT +LVASPKTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKK------------- +---NRAKKLPENANGVNSNSSS------------------SERLKQIQIETAEAFANGCA +EEASIAMLERQ-CNNGKKISSNDTPYS-------------RT-R-EKLELKRERKAARTL +AIITGAFLICWLPFFIIALIGPF-VDP-E--GIPPFARSFVLWLGYFNSLLNPIIYTIFS +PEFRSAFQ-KIL----------FG---KYRRGHR-------------------------- +------------------------------------------------------------ +---------------------------------------------------- +> 35=p A47174 serotonin receptor, 5HTlym receptor - great pond snail +M-ANFTFGDLALDVARMGGLASTPSGLRS-----------------TGLTTPGLSPTG-- +------------------------------LVTS--DFNDSYGLTGQF-IN-GSHS---- +-----------------SRSRDNAS-ANDT-------------SATNMTDDRYWS-LTVY +SHEHLVLTSVILGLFVLCCIIGNCFVIAAVMLERSLHNVANYLILSLAVADLMVAVLV-M +PLSVVSE-IS-KVWF--LHSEVCDMWISVDVLCCTASILHLVAIAMDRYWAVTS-IDYIR +RRSARRILLMIMVVWIVALFI-SIPPLFG-WRDP--NNDPDKTGTCIISQDK-------- +--GYTIFSTVGAFYLPMLVMMIIYIRIW-------LVARSRIRKDKFQMTKARLKTEETT +LVASPKTEYSVVSDCNGCNSPDSTTEKKKRRAPFKSYGCSPRPERKK------------- +---NRAKKLPENANGVNSNSSS------------------SERLKQIQIETAEAFANGCA +EEASIAMLERQ-CNNGKKISSNDTPYS-------------RT-R-EKLELKRERKAARTL +AIITGAFLICWLPFFIIALIGPF-VDP-E--GIPPFARSFVLWLGYFNSLLNPIIYTIFS +PEFRSAFQ-KIL----------FG---KYRRGHR-------------------------- +------------------------------------------------------------ +---------------------------------------------------- +> 36== X95604 1 Bombyx mori serotonin receptor [InsectBiochem.Mol.Bi +M-EGAE-GQEELDWEAL--YLRLP--LQN-----------------CSWNSTGWEPNW-- +------------------------------NVTV--VPNTTW-----------WQA---- +-----------------SAPFDTPA-ALVR-------------AAAK------------- +--------AVVLGLLILATVVGNVFVIAAILLERHLRSAANNLILSLAVADLLVACLV-M +PLGAVYE-VV-QRWT--LGPELCDMWTSGDVLCCTASILHLVAIALDRYWAVTN-IDYIH +ASTAKRVGMMIACVWTVSFFV-CIAQLLG-WKDPDWNQRVSEDLRCVVSQDV-------- +--GYQIFATASSFYVPVLIILILYWRIY-------QTARKRIR----------------- +----------------------------RRRGATARGGVGPPP----------------- +--------VPAGGALVAGGGSGGIAAAVVAVI--------GRPLPTISETTTTGFTNVSS +NNTS---PEKQSCANGLEADPPTTGYGAVAAAYYPSLVRRKP-K-EAADSKRERKAAKTL +AIITGAFVACWLPFFVLAILVPT-CDC-E---VSPVLTSLSLWLGYFNSTLNPVIYTVFS +PEFRHAFQ-RLL----------CGRRVRRRRAPQ-------------------------- +------------------------------------------------------------ +---------------------------------------------------- diff --git a/binaries/src/mafft/test/samplerna b/binaries/src/mafft/test/samplerna new file mode 100644 index 0000000..926ff03 --- /dev/null +++ b/binaries/src/mafft/test/samplerna @@ -0,0 +1,36 @@ +>AJ006331.1_1230 +ccauggcguuaguau +gagugucgugcagccuccaggccccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaaucgcuggggugaccggguccuuucuuggaacaacccgc +ucaauacccagaaauuugggcgugcccccgcgagaucacuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagu + +>Z84287.1_1250 +uucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggaucaacccgc +ucgaugccuggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcucgagagu + +>AF064490.1_2296 +ugagu +gucgaacagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccgggaugaccggguccuuucuuggauaaacccgc +ucaaugcccggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagugccccgggaggucucguag +accgugcaacaugagcacgaauccuaaaccucaaagaaaaaccaaaagaaacaccaaccg +>Z84230.1_1250 +uucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggauaagcccgc +ucaaugccuggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcucgagagu + +>AB049100.1_1360 +auagaucacuccccugugaggaacuacugucuucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggaucaacccgc +ucaaugccuggagauuugggcgugcccccgcgagaccgcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagugccccgggaggucucguag +accgugcaccaugagcacgaauccuaaaccucaaagaaaaaccaaacguaacaccaaccg + diff --git a/binaries/src/mafft/test/samplerna.qinsi b/binaries/src/mafft/test/samplerna.qinsi new file mode 100644 index 0000000..0d9d4c2 --- /dev/null +++ b/binaries/src/mafft/test/samplerna.qinsi @@ -0,0 +1,35 @@ +>AJ006331.1_1230 +---------------------------------------------------ccauggcgu +uaguaugagugucgugcagccuccaggccccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaaucgcuggggugaccggguccuuucuuggaacaacccgc +ucaauacccagaaauuugggcgugcccccgcgagaucacuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagu------------------- +------------------------------------------------------------ +>Z84287.1_1250 +-------------------------------uucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggaucaacccgc +ucgaugccuggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcucgagagu------------------- +------------------------------------------------------------ +>AF064490.1_2296 +------------------------------------------------------------ +-----ugagugucgaacagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccgggaugaccggguccuuucuuggauaaacccgc +ucaaugcccggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagugccccgggaggucucguag +accgugcaacaugagcacgaauccuaaaccucaaagaaaaaccaaaagaaacaccaaccg +>Z84230.1_1250 +-------------------------------uucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggauaagcccgc +ucaaugccuggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcucgagagu------------------- +------------------------------------------------------------ +>AB049100.1_1360 +auagaucacuccccugugaggaacuacugucuucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggaucaacccgc +ucaaugccuggagauuugggcgugcccccgcgagaccgcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagugccccgggaggucucguag +accgugcaccaugagcacgaauccuaaaccucaaagaaaaaccaaacguaacaccaaccg diff --git a/binaries/src/mafft/test/samplerna.xinsi b/binaries/src/mafft/test/samplerna.xinsi new file mode 100644 index 0000000..f90b173 --- /dev/null +++ b/binaries/src/mafft/test/samplerna.xinsi @@ -0,0 +1,35 @@ +>AJ006331.1_1230 +c---------------------------------------------------cauggcgu +uaguaugagugucgugcagccuccaggccccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaaucgcuggggugaccggguccuuucuuggaacaacccgc +ucaauacccagaaauuugggcgugcccccgcgagaucacuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcga--------------------- +----------------------------------------------------------gu +>Z84287.1_1250 +u-------------------------------ucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggaucaacccgc +ucgaugccuggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcucgaga--------------------- +----------------------------------------------------------gu +>AF064490.1_2296 +u----------------------------------------------------------- +------gagugucgaacagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccgggaugaccggguccuuucuuggauaaacccgc +ucaaugcccggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagugccccgggaggucucguag +accgugcaacaugagcacgaauccuaaaccucaaagaaaaaccaaaagaaacaccaaccg +>Z84230.1_1250 +u-------------------------------ucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggauaagcccgc +ucaaugccuggagauuugggcgugcccccgcgagacugcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcucgaga--------------------- +----------------------------------------------------------gu +>AB049100.1_1360 +auagaucacuccccugugaggaacuacugucuucacgcagaaagcgucuagccauggcgu +uaguaugagugucgugcagccuccaggacccccccucccgggagagccauaguggucugc +ggaaccggugaguacaccggaauugccaggacgaccggguccuuucuuggaucaacccgc +ucaaugccuggagauuugggcgugcccccgcgagaccgcuagccgaguaguguugggucg +cgaaaggccuugugguacugccugauagggugcuugcgagugccccgggaggucucguag +accgugcaccaugagcacgaauccuaaaccucaaagaaaaaccaaacguaacaccaaccg -- 1.7.10.2