X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FPDBChain.java;h=3b84ee306b3d72166d6e449d8caa4f16f95aaa42;hb=2303177fbc4c86e4a63c1e8efa8c8bc50516b6a5;hp=9545755c44dbfe312fd9ab9bd0a6076650d95bb0;hpb=6d7ab37f37b09174ec61fee301aed6057ef86605;p=jalview.git diff --git a/src/MCview/PDBChain.java b/src/MCview/PDBChain.java index 9545755..3b84ee3 100755 --- a/src/MCview/PDBChain.java +++ b/src/MCview/PDBChain.java @@ -30,6 +30,7 @@ import jalview.datamodel.SequenceI; import jalview.schemes.ColourSchemeI; import jalview.schemes.ResidueProperties; import jalview.structure.StructureMapping; +import jalview.structure.StructureViewSettings; import java.awt.Color; import java.util.List; @@ -147,6 +148,10 @@ public class PDBChain if (as.astr1.charAt(i) == as.astr2.charAt(i)) { + if (pdbpos >= residues.size()) + { + continue; + } Residue res = residues.elementAt(pdbpos); for (Atom atom : res.atoms) { @@ -188,6 +193,10 @@ public class PDBChain status = PDBChain.IEASTATUS; } SequenceFeature[] features = sequence.getSequenceFeatures(); + if (features == null) + { + return null; + } for (int i = 0; i < features.length; i++) { if (features[i].getFeatureGroup().equals(pdbid)) @@ -348,6 +357,18 @@ public class PDBChain else { + // boolean baseDetected = false; + // for (Atom resAtom : resAtoms) + // { + // if (resAtom.insCode == ' ') + // { + // baseDetected = true; + // } + // } + // if (!baseDetected) + // { + // continue; + // } // Make a new Residue object with the new atoms vector residues.addElement(new Residue(resAtoms, resNumber - 1, count)); @@ -373,9 +394,12 @@ public class PDBChain || ResidueProperties.nucleotideIndex[nucname .charAt((deoxyn ? 1 : 0))] == -1) { - seq.append("X"); - // System.err.println("PDBReader:Null aa3Hash for " + - // 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); } else { @@ -411,11 +435,15 @@ public class PDBChain // System.out.println("PDB Sequence is :\nSequence = " + seq); // System.out.println("No of residues = " + residues.size()); + + if (StructureViewSettings.isShowSeqFeatures()) + { for (i = 0, iSize = resFeatures.size(); i < iSize; i++) { sequence.addSequenceFeature(resFeatures.elementAt(i)); resFeatures.setElementAt(null, i); } + } if (visibleChainAnnotation) { Annotation[] annots = new Annotation[resAnnotation.size()];