X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FPDBChain.java;h=c1c586a3e4c0dff15e4d31f8f2bd02dead1b924b;hb=506d60f0e188723ddc91c26824b41ac7034df3fe;hp=a9d2d3a6e6251b431ddafcab79b004b0377de1cc;hpb=0c198a7cc68d8c9989e82dc785112b6efaa74e87;p=jalview.git diff --git a/src/MCview/PDBChain.java b/src/MCview/PDBChain.java index a9d2d3a..c1c586a 100755 --- a/src/MCview/PDBChain.java +++ b/src/MCview/PDBChain.java @@ -1,302 +1,453 @@ /* -* Jalview - A Sequence Alignment Editor and Viewer -* Copyright (C) 2006 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle -* -* This program is free software; you can redistribute it and/or -* modify it under the terms of the GNU General Public License -* as published by the Free Software Foundation; either version 2 -* of the License, or (at your option) any later version. -* -* This program 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 General Public License for more details. -* -* You should have received a copy of the GNU General Public License -* along with this program; if not, write to the Free Software -* Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA -*/ + * Jalview - A Sequence Alignment Editor and Viewer (Version 2.4) + * Copyright (C) 2008 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle + * + * This program is free software; you can redistribute it and/or + * modify it under the terms of the GNU General Public License + * as published by the Free Software Foundation; either version 2 + * of the License, or (at your option) any later version. + * + * This program 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 General Public License for more details. + * + * You should have received a copy of the GNU General Public License + * along with this program; if not, write to the Free Software + * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA + */ package MCview; +import java.util.*; + +import java.awt.*; + +import jalview.analysis.*; import jalview.datamodel.*; +import jalview.schemes.*; +import jalview.structure.StructureMapping; -import jalview.schemes.ResidueProperties; +public class PDBChain +{ + /** + * SequenceFeature group for PDB File features added to sequences + */ + private static final String PDBFILEFEATURE = "PDBFile"; -import java.awt.*; + private static final String IEASTATUS = "IEA:jalview"; -import java.util.*; -import jalview.analysis.AlignSeq; + public String id; + public Vector bonds = new Vector(); -public class PDBChain { - /** - * SequenceFeature group for PDB File features added to sequences - */ - private static final String PDBFILEFEATURE = "PDBFile"; - public String id; - public Vector bonds = new Vector(); - public Vector atoms = new Vector(); - public Vector residues = new Vector(); - public int offset; - public Sequence sequence; - public boolean isVisible = true; - public int pdbstart = 0; - public int pdbend = 0; - public int seqstart = 0; - public int seqend = 0; - - public PDBChain(String id) { - this.id = id; - } + public Vector atoms = new Vector(); - public String print() { - String tmp = ""; + public Vector residues = new Vector(); - for (int i = 0; i < bonds.size(); i++) { - tmp = tmp + ((Bond) bonds.elementAt(i)).at1.resName + " " + - ((Bond) bonds.elementAt(i)).at1.resNumber + " " + offset + - "\n"; - } + public int offset; - return tmp; - } + public Sequence sequence; + + public boolean isVisible = true; + + public int pdbstart = 0; + + public int pdbend = 0; + + public int seqstart = 0; + + public int seqend = 0; - void makeExactMapping(AlignSeq as, Sequence s1) + public String pdbid = ""; + + public PDBChain(String pdbid, String id) + { + this.pdbid = pdbid.toLowerCase(); + this.id = id; + } + + public String print() + { + String tmp = ""; + + for (int i = 0; i < bonds.size(); i++) { - int pdbpos = as.getSeq2Start()-2; - int alignpos = s1.getStart() + as.getSeq1Start()-3; + tmp = tmp + ((Bond) bonds.elementAt(i)).at1.resName + " " + + ((Bond) bonds.elementAt(i)).at1.resNumber + " " + offset + + "\n"; + } - for(int i=0; i k) + { + min = k; + } + else if (max < k) + { + max = k; + } } + } + sq + .addAlignmentAnnotation(new AlignmentAnnotation("PDB.RESNUM", + "PDB Residue Numbering for " + this.pdbid + ":" + + this.id, an, (float) min, (float) max, + AlignmentAnnotation.LINE_GRAPH)); } + } }