X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2Fjalview%2Fstructure%2FStructureSelectionManager.java;h=c27289c468bdc1a396b6b78e9cd92cf410c38b3d;hb=3f12f4932226512316ec113e600695150431fd0a;hp=be042e6b6476a7491dc7494d89a138d6771662d9;hpb=ccc31f21ed36c2e43b5a1b450846284151c680bb;p=jalview.git diff --git a/src/jalview/structure/StructureSelectionManager.java b/src/jalview/structure/StructureSelectionManager.java index be042e6..c27289c 100644 --- a/src/jalview/structure/StructureSelectionManager.java +++ b/src/jalview/structure/StructureSelectionManager.java @@ -428,6 +428,12 @@ public class StructureSelectionManager { boolean infChain = true; final SequenceI seq = sequenceArray[s]; + SequenceI ds = seq; + while (ds.getDatasetSequence() != null) + { + ds = ds.getDatasetSequence(); + } + if (targetChainIds != null && targetChainIds[s] != null) { infChain = false; @@ -502,7 +508,7 @@ public class StructureSelectionManager } ArrayList seqToStrucMapping = new ArrayList(); - if (isMapUsingSIFTs) + if (isMapUsingSIFTs && seq.isProtein()) { setProgressBar(null); setProgressBar(MessageManager @@ -518,8 +524,11 @@ public class StructureSelectionManager pdb, maxChain, sqmpping, maxAlignseq); seqToStrucMapping.add(siftsMapping); maxChain.makeExactMapping(maxAlignseq, seq); - maxChain.transferRESNUMFeatures(seq, null); + maxChain.transferRESNUMFeatures(seq, null);// FIXME: is this + // "IEA:SIFTS" ? maxChain.transferResidueAnnotation(siftsMapping, sqmpping); + ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0)); + } catch (SiftsException e) { // fall back to NW alignment @@ -527,6 +536,11 @@ public class StructureSelectionManager StructureMapping nwMapping = getNWMappings(seq, pdbFile, targetChainId, maxChain, pdb, maxAlignseq); seqToStrucMapping.add(nwMapping); + maxChain.makeExactMapping(maxAlignseq, seq); + maxChain.transferRESNUMFeatures(seq, null); // FIXME: is this + // "IEA:Jalview" ? + maxChain.transferResidueAnnotation(nwMapping, sqmpping); + ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0)); } } else @@ -549,15 +563,21 @@ public class StructureSelectionManager { seqToStrucMapping.addAll(foundSiftsMappings); maxChain.makeExactMapping(maxAlignseq, seq); - maxChain.transferRESNUMFeatures(seq, null); + maxChain.transferRESNUMFeatures(seq, null);// FIXME: is this + // "IEA:SIFTS" ? maxChain.transferResidueAnnotation(foundSiftsMappings.get(0), sqmpping); + ds.addPDBId(sqmpping.getTo().getAllPDBEntries().get(0)); } else { StructureMapping nwMapping = getNWMappings(seq, pdbFile, maxChainId, maxChain, pdb, maxAlignseq); seqToStrucMapping.add(nwMapping); + maxChain.transferRESNUMFeatures(seq, null); // FIXME: is this + // "IEA:Jalview" ? + maxChain.transferResidueAnnotation(nwMapping, sqmpping); + ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0)); } } } @@ -566,8 +586,11 @@ public class StructureSelectionManager setProgressBar(null); setProgressBar(MessageManager .getString("status.obtaining_mapping_with_nw_alignment")); - seqToStrucMapping.add(getNWMappings(seq, pdbFile, maxChainId, - maxChain, pdb, maxAlignseq)); + StructureMapping nwMapping = getNWMappings(seq, pdbFile, + maxChainId, maxChain, pdb, maxAlignseq); + seqToStrucMapping.add(nwMapping); + ds.addPDBId(maxChain.sequence.getAllPDBEntries().get(0)); + } if (forStructureView) @@ -585,6 +608,20 @@ public class StructureSelectionManager return "cif".equalsIgnoreCase(fileExt); } + /** + * retrieve a mapping for seq from SIFTs using associated DBRefEntry for + * uniprot or PDB + * + * @param seq + * @param pdbFile + * @param targetChainId + * @param pdb + * @param maxChain + * @param sqmpping + * @param maxAlignseq + * @return + * @throws SiftsException + */ private StructureMapping getStructureMapping(SequenceI seq, String pdbFile, String targetChainId, StructureFile pdb, PDBChain maxChain, jalview.datamodel.Mapping sqmpping,