X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=src%2FMCview%2FPDBfile.java;h=f7eba09157c592a1ed5c548a67fb7cca3c2e0b26;hb=63bb86fb2312c426063e8cd79de4685c05c4bc35;hp=c1018a325efa6ac49abfdcc061f16aff6814482a;hpb=4d7f98a6dd54d9863ba449ec79dcd95d25ed863d;p=jalview.git diff --git a/src/MCview/PDBfile.java b/src/MCview/PDBfile.java index c1018a3..f7eba09 100755 --- a/src/MCview/PDBfile.java +++ b/src/MCview/PDBfile.java @@ -24,6 +24,8 @@ import jalview.analysis.AlignSeq; import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.AlignmentI; +import jalview.datamodel.DBRefEntry; +import jalview.datamodel.DBRefSource; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceI; import jalview.io.FileParse; @@ -94,11 +96,13 @@ public class PDBfile extends jalview.io.AlignFile doParse(); } + @Override public String print() { return null; } + @Override public void parse() throws IOException { // TODO set the filename sensibly - try using data source name. @@ -285,8 +289,8 @@ public class PDBfile extends jalview.io.AlignFile */ protected SequenceI postProcessChain(PDBChain chain) { - SequenceI dataset = chain.sequence; - dataset.setName(id + "|" + dataset.getName()); + SequenceI pdbSequence = chain.sequence; + pdbSequence.setName(id + "|" + pdbSequence.getName()); PDBEntry entry = new PDBEntry(); entry.setId(id); entry.setType(PDBEntry.Type.PDB); @@ -305,9 +309,19 @@ public class PDBfile extends jalview.io.AlignFile // TODO: decide if we should dump the datasource to disk entry.setFile(getDataName()); } - dataset.addPDBId(entry); + + DBRefEntry sourceDBRef = new DBRefEntry(); + sourceDBRef.setAccessionId(id); + sourceDBRef.setSource(DBRefSource.PDB); + sourceDBRef.setStartRes(pdbSequence.getStart()); + sourceDBRef.setEndRes(pdbSequence.getEnd()); + // PDBChain objects maintain reference to dataset - SequenceI chainseq = dataset.deriveSequence(); + SequenceI chainseq = pdbSequence.deriveSequence(); + chainseq.setSourceDBRef(sourceDBRef); + chainseq.addPDBId(entry); + chainseq.addDBRef(sourceDBRef); + seqs.addElement(chainseq); AlignmentAnnotation[] chainannot = chainseq.getAnnotation(); @@ -372,7 +386,7 @@ public class PDBfile extends jalview.io.AlignFile { try { - Class cl = Class.forName("jalview.ext.jmol.PDBFileWithJmol"); + Class cl = Class.forName("jalview.ext.jmol.JmolParser"); if (cl != null) { final Constructor constructor = cl