X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructure%2FStructureSelectionManager.java;fp=src%2Fjalview%2Fstructure%2FStructureSelectionManager.java;h=33c566d2d1e68d5796b12639c5694d19b7ebd00a;hb=cbf0b72e90f4c719dff345e467b5c9b9873247ed;hp=4dff04dff9c90000176f7ce51f7804f27e165c8e;hpb=4316d20b437d529be1d9ddafc0118fadd1b6a4ce;p=jalview.git diff --git a/src/jalview/structure/StructureSelectionManager.java b/src/jalview/structure/StructureSelectionManager.java index 4dff04d..33c566d 100644 --- a/src/jalview/structure/StructureSelectionManager.java +++ b/src/jalview/structure/StructureSelectionManager.java @@ -506,41 +506,53 @@ public class StructureSelectionManager .getMappingFromS1(false); if (targetChainId != null && !targetChainId.trim().isEmpty()) { - StructureMapping mapping; + StructureMapping siftsMapping; try { - mapping = getStructureMapping(seq, pdbFile, targetChainId, pdb, - maxChain, sqmpping, maxAlignseq); - seqToStrucMapping.add(mapping); + siftsMapping = getStructureMapping(seq, pdbFile, targetChainId, + pdb, maxChain, sqmpping, maxAlignseq); + seqToStrucMapping.add(siftsMapping); + maxChain.makeExactMapping(maxAlignseq, seq); + maxChain.transferRESNUMFeatures(seq, null); + maxChain.transferResidueAnnotation(siftsMapping, sqmpping); } catch (SiftsException e) { - // e.printStackTrace(); // fall back to NW alignment System.err.println(e.getMessage()); - seqToStrucMapping.add(getNWMappings(seq, pdbFile, - targetChainId, - maxChain, pdb, maxAlignseq)); + StructureMapping nwMapping = getNWMappings(seq, pdbFile, + targetChainId, maxChain, pdb, maxAlignseq); + seqToStrucMapping.add(nwMapping); } } else { - try + ArrayList foundSiftsMappings = new ArrayList(); + for (PDBChain chain : pdb.getChains()) { - ArrayList tempMapping = new ArrayList(); - for (PDBChain chain : pdb.getChains()) + try { - StructureMapping mapping = getStructureMapping(seq, pdbFile, + StructureMapping siftsMapping = getStructureMapping(seq, + pdbFile, chain.id, pdb, chain, sqmpping, maxAlignseq); - tempMapping.add(mapping); + foundSiftsMappings.add(siftsMapping); + } catch (SiftsException e) + { + System.err.println(e.getMessage()); } - seqToStrucMapping.addAll(tempMapping); - } catch (SiftsException e) + } + if (!foundSiftsMappings.isEmpty()) { - // e.printStackTrace(); - // fall back to NW alignment - System.err.println(e.getMessage()); - seqToStrucMapping.add(getNWMappings(seq, pdbFile, maxChainId, - maxChain, pdb, maxAlignseq)); + seqToStrucMapping.addAll(foundSiftsMappings); + maxChain.makeExactMapping(maxAlignseq, seq); + maxChain.transferRESNUMFeatures(seq, null); + maxChain.transferResidueAnnotation(foundSiftsMappings.get(0), + sqmpping); + } + else + { + StructureMapping nwMapping = getNWMappings(seq, pdbFile, + maxChainId, maxChain, pdb, maxAlignseq); + seqToStrucMapping.add(nwMapping); } } }