X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FPDBChain.java;fp=src%2FMCview%2FPDBChain.java;h=f4bd31c13774b3e59b3128100383ea04265fc5fe;hb=be762d8d9c71a7aa3121e845c45911c7192b7827;hp=8285d883acb2b7cb67c997a7bfbb11d1bdb9791b;hpb=d1bb7a31fc091606aedbc255a5766ac79e36fa91;p=jalview.git diff --git a/src/MCview/PDBChain.java b/src/MCview/PDBChain.java index 8285d88..f4bd31c 100755 --- a/src/MCview/PDBChain.java +++ b/src/MCview/PDBChain.java @@ -41,11 +41,6 @@ public class PDBChain { public static final String RESNUM_FEATURE = "RESNUM"; - /** - * SequenceFeature group for PDB File features added to sequences - */ - private static final String PDBFILEFEATURE = "PDBFile"; - private static final String IEASTATUS = "IEA:jalview"; public String id; @@ -83,10 +78,10 @@ public class PDBChain public String pdbid = ""; - public PDBChain(String pdbid, String id) + public PDBChain(String thePdbid, String theId) { - this.pdbid = pdbid == null ? pdbid : pdbid.toLowerCase(); - this.id = id; + this.pdbid = thePdbid == null ? thePdbid : thePdbid.toLowerCase(); + this.id = theId; } /** @@ -211,7 +206,8 @@ public class PDBChain SequenceFeature tx = new SequenceFeature(feature, newBegin, newEnd, feature.getFeatureGroup(), feature.getScore()); tx.setStatus(status - + ((tx.getStatus() == null || tx.getStatus().length() == 0) ? "" + + ((tx.getStatus() == null || tx.getStatus().length() == 0) + ? "" : ":" + tx.getStatus())); if (tx.begin != 0 && tx.end != 0) { @@ -346,9 +342,9 @@ public class PDBChain // Add inserted residues as features to the base residue Atom currAtom = resAtoms.get(0); - if (currAtom.insCode != ' ' - && !residues.isEmpty() - && residues.lastElement().atoms.get(0).resNumber == currAtom.resNumber) + if (currAtom.insCode != ' ' && !residues.isEmpty() + && residues.lastElement().atoms + .get(0).resNumber == currAtom.resNumber) { String desc = currAtom.resName + ":" + currAtom.resNumIns + " " + pdbid + id; @@ -373,20 +369,21 @@ public class PDBChain resAnnotation.addElement(new Annotation(tmpat.tfactor)); // Keep totting up the sequence - if ((symbol = ResidueProperties.getAA3Hash().get(tmpat.resName)) == null) + if ((symbol = ResidueProperties.getAA3Hash() + .get(tmpat.resName)) == null) { String nucname = tmpat.resName.trim(); // use the aaIndex rather than call 'toLower' - which would take a bit // more time. deoxyn = nucname.length() == 2 - && ResidueProperties.aaIndex[nucname.charAt(0)] == ResidueProperties.aaIndex['D']; + && ResidueProperties.aaIndex[nucname + .charAt(0)] == ResidueProperties.aaIndex['D']; if (tmpat.name.equalsIgnoreCase("CA") || ResidueProperties.nucleotideIndex[nucname .charAt((deoxyn ? 1 : 0))] == -1) { - char r = ResidueProperties - .getSingleCharacterCode(ResidueProperties - .getCanonicalAminoAcid(tmpat.resName)); + char r = ResidueProperties.getSingleCharacterCode( + ResidueProperties.getCanonicalAminoAcid(tmpat.resName)); seq.append(r == '0' ? 'X' : r); // System.err.println("PDBReader:Null aa3Hash for " + // tmpat.resName); @@ -402,8 +399,8 @@ public class PDBChain { if (nucleotide) { - System.err - .println("Warning: mixed nucleotide and amino acid chain.. its gonna do bad things to you!"); + System.err.println( + "Warning: mixed nucleotide and amino acid chain.. its gonna do bad things to you!"); } seq.append(ResidueProperties.aa[((Integer) symbol).intValue()]); } @@ -515,8 +512,8 @@ public class PDBChain try { index = ResidueProperties.aa3Hash.get(b.at1.resName).intValue(); - b.startCol = cs.findColour(ResidueProperties.aa[index].charAt(0), - 0, null, null, 0f); + b.startCol = cs.findColour(ResidueProperties.aa[index].charAt(0), 0, + null, null, 0f); index = ResidueProperties.aa3Hash.get(b.at2.resName).intValue(); b.endCol = cs.findColour(ResidueProperties.aa[index].charAt(0), 0, @@ -566,8 +563,8 @@ public class PDBChain for (AlignmentAnnotation ana : shadow.getAnnotation()) { - List transfer = sq.getAlignmentAnnotations( - ana.getCalcId(), ana.label); + List transfer = sq + .getAlignmentAnnotations(ana.getCalcId(), ana.label); if (transfer == null || transfer.size() == 0) { ana = new AlignmentAnnotation(ana); @@ -608,7 +605,8 @@ public class PDBChain // Useful for debugging mappings - adds annotation for mapped position float min = -1, max = 0; Annotation[] an = new Annotation[sq.getEnd() - sq.getStart() + 1]; - for (int i = sq.getStart(), j = sq.getEnd(), k = 0; i <= j; i++, k++) + for (int i = sq.getStart(), j = sq + .getEnd(), k = 0; i <= j; i++, k++) { int prn = mapping.getPDBResNum(k + 1);