<html>
<!--
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.5)
- * Copyright (C) 2010 J Procter, AM Waterhouse, G Barton, M Clamp, S Searle
+ * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
+ * Copyright (C) $$Year-Rel$$ The Jalview Authors
*
* This file is part of Jalview.
*
* Jalview 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 3 of the License, or (at your option) any later version.
- *
+ * as published by the Free Software Foundation, either version 3
+ * of the License, or (at your option) any later version.
+ *
* Jalview 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 Jalview. If not, see <http://www.gnu.org/licenses/>.
--->
+ * You should have received a copy of the GNU General Public License
+ * along with Jalview. If not, see <http://www.gnu.org/licenses/>.
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
+ -->
+<head>
+<title>Modeller PIR Format IO</title>
+</head>
+<body>
+ <p>
+ <strong>Modeller PIR Format IO</strong>
+ </p>
+ <p>
+ The homology modelling program, <a
+ href="http://salilab.org/modeller/">Modeller</a> uses a
+ special form of the PIR format where information about sequence
+ numbering and chain codes are written into the 'description' line
+ between the PIR protein tag and the protein alignment entry:
+ </p>
+ <pre>>P1;Q93Z60_ARATH
+sequence:Q93Z60_ARATH:1:.:118:.:.
+----MASTALSSAIVSTSFLRRQQTPISLRSLPFANT-QSLFGLKS-STARGGRVTAMATYKVKFITPEGEQ
+EVECEEDVYVLDAAEEAGLDLPYSCRAGSCSSCAGKVVSGSIDQSD------QSFLD-D-------------
+---------------------*
+>P1;PDB|1FER|_
+structureX:1FER:1:.:105:.:.
+----------------------------------------------------AFVVTDNCIKCKY---TDCV
+EV-CPVDCFY----EGPNFLVIHPDECIDCALCEPECPAQAIFSEDEVPEDMQEFIQLNAELAEVWPNITEK
+KDPLPDAEDWDGVKGKLQHLE*
+</pre>
+ <p>Jalview will attempt to parse any PIR entries conforming to the
+ Modeller/PIR format, in order to extract the sequence start and end
+ numbering and (possibly) a PDB file reference. The description line
+ information is always stored in the sequence description string - so
+ no information is lost if this parsing process fails.</p>
+ <p>
+ The 'Modeller Output' flag in the 'Output' tab of the Jalview <a
+ href="../features/preferences.html">Preferences dialog
+ box</a> controls whether Jalview will also output MODELLER style PIR
+ files. In this case, any existing 'non-modeller PIR' header
+ information in the description string of an alignment is appended to
+ an automatically generated modeller description line for that
+ sequence.
+ </p>
+ <p>The general format used for generating the Modeller/PIR
+ sequence description line is shown below :
+ <pre>>P1;<em>Primary_Sequence_ID</em>
+<em>sequence or structureX</em>:<em>pdb-reference if
+ available</em>:<em>start residue</em>:<em>start chain code</em>:<em>end
+ residue</em>:<em>end chain code</em>:. <em>description text</em>
+ </pre>
+ The first field is either sequence or structureX, depending upon the
+ presence of a PDB database ID for the sequence. If the protein has no
+ PDB reference, then the chain code is not specified, unless one
+ already existed when the sequence was imported into Jalview.
+</body>
+</html>
git://source.jalview.org / jalview.git / blobdiff