X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fmc_view%2FPDBChain.java;h=e854247babf9d96984f7d84ce84b2c1629c7275c;hb=5db8e803feb3d04bf6142d25ded76473ec1cb571;hp=70fda66c543ec66d731ab08a97edbc6cb390d847;hpb=b52f1c317e9171563a69bcf5ef41ad29e9c4da49;p=jalview.git diff --git a/src/mc_view/PDBChain.java b/src/mc_view/PDBChain.java index 70fda66..e854247 100755 --- a/src/mc_view/PDBChain.java +++ b/src/mc_view/PDBChain.java @@ -20,6 +20,11 @@ */ package mc_view; +import java.awt.Color; +import java.util.List; +import java.util.Locale; +import java.util.Vector; + import jalview.analysis.AlignSeq; import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.Annotation; @@ -33,10 +38,6 @@ import jalview.structure.StructureImportSettings; import jalview.structure.StructureMapping; import jalview.util.Comparison; -import java.awt.Color; -import java.util.List; -import java.util.Vector; - public class PDBChain { public static final String RESNUM_FEATURE = "RESNUM"; @@ -80,25 +81,28 @@ public class PDBChain String tfacName = "Temperature Factor"; - - public PDBChain(String thePdbid, String theId, String tempFactorColumnName) + public PDBChain(String thePdbid, String theId, + String tempFactorColumnName) { - this.pdbid = thePdbid == null ? thePdbid : thePdbid.toLowerCase(); + this.pdbid = thePdbid == null ? thePdbid + : thePdbid.toLowerCase(Locale.ROOT); this.id = theId; - if (tempFactorColumnName!=null && tempFactorColumnName.length()>0) + if (tempFactorColumnName != null && tempFactorColumnName.length() > 0) { tfacName = tempFactorColumnName; } } /** - * import chain data assuming Temperature Factor is in the Temperature Factor column + * import chain data assuming Temperature Factor is in the Temperature Factor + * column + * * @param thePdbid * @param theId */ public PDBChain(String thePdbid, String theId) { - this(thePdbid,theId, null); + this(thePdbid, theId, null); } /** @@ -210,8 +214,8 @@ public class PDBChain } char seqchar = ds.getCharAt(seqpos - ds.getStart()); - boolean sameResidue = Comparison.isSameResidue( - seqchar, strchar, false); + boolean sameResidue = Comparison.isSameResidue(seqchar, strchar, + false); if (sameResidue) { for (Atom atom : res.atoms) @@ -229,11 +233,18 @@ public class PDBChain * @param seq * @param status * The Status of the transferred annotation - * @param actualGroupId the group id for the features on the destination sequence (e.g. the official accession ID) + * + * @param altPDBID + * the group id for the features on the destination sequence (e.g. + * the official accession ID) */ - public void transferRESNUMFeatures(SequenceI seq, - String status) + public void transferRESNUMFeatures(SequenceI seq, String status, + String altPDBID) { + if (altPDBID == null) + { + altPDBID = pdbid; + } SequenceI sq = seq; while (sq != null && sq.getDatasetSequence() != null) { @@ -261,12 +272,13 @@ public class PDBChain if (feature.getFeatureGroup() != null && feature.getFeatureGroup().equals(pdbid)) { - int newBegin = 1 + residues.elementAt(feature.getBegin() - offset).atoms - .elementAt(0).alignmentMapping; + int newBegin = 1 + + residues.elementAt(feature.getBegin() - offset).atoms + .elementAt(0).alignmentMapping; int newEnd = 1 + residues.elementAt(feature.getEnd() - offset).atoms .elementAt(0).alignmentMapping; SequenceFeature tx = new SequenceFeature(feature, newBegin, newEnd, - pdbid, feature.getScore()); + altPDBID, feature.getScore()); tx.setStatus(status + ((tx.getStatus() == null || tx.getStatus().length() == 0) ? "" @@ -411,8 +423,8 @@ public class PDBChain { String desc = currAtom.resName + ":" + currAtom.resNumIns + " " + pdbid + id; - SequenceFeature sf = new SequenceFeature("INSERTION", desc, offset - + count - 1, offset + count - 1, "PDB_INS"); + SequenceFeature sf = new SequenceFeature("INSERTION", desc, + offset + count - 1, offset + count - 1, "PDB_INS"); resFeatures.addElement(sf); residues.lastElement().atoms.addAll(resAtoms); } @@ -424,12 +436,12 @@ public class PDBChain Residue tmpres = residues.lastElement(); Atom tmpat = tmpres.atoms.get(0); // Make A new SequenceFeature for the current residue numbering - String desc = tmpat.resName - + ":" + tmpat.resNumIns + " " + pdbid + id; + String desc = tmpat.resName + ":" + tmpat.resNumIns + " " + pdbid + + id; SequenceFeature sf = new SequenceFeature(RESNUM_FEATURE, desc, offset + count, offset + count, pdbid); resFeatures.addElement(sf); - resAnnotation.addElement(new Annotation(tmpat.tfactor)); + resAnnotation.addElement(new Annotation((float) tmpat.tfactor)); // Keep totting up the sequence if ((symbol = ResidueProperties.getAA3Hash() @@ -508,10 +520,10 @@ public class PDBChain min = Math.min(min, annots[i].value); resAnnotation.setElementAt(null, i); } - AlignmentAnnotation tfactorann = new AlignmentAnnotation( - tfacName, tfacName + " for " + pdbid + id, - annots, min, max, AlignmentAnnotation.LINE_GRAPH); - + AlignmentAnnotation tfactorann = new AlignmentAnnotation(tfacName, + tfacName + " for " + pdbid + id, annots, min, max, + AlignmentAnnotation.LINE_GRAPH); + tfactorann.setCalcId(getClass().getName()); tfactorann.setSequenceRef(sequence); @@ -519,7 +531,6 @@ public class PDBChain } } - /** * Colour start/end of bonds by charge *