}
else
{
- tmpchain = new PDBChain(tmpatom.chain);
+ tmpchain = new PDBChain(id,tmpatom.chain);
chains.addElement(tmpchain);
tmpchain.atoms.addElement(tmpatom);
}
}
for (int i = 0; i < chains.size(); i++)
{
- SequenceI seq = ( (PDBChain) chains.elementAt(i)).
+ SequenceI dataset = ( (PDBChain) chains.elementAt(i)).
sequence;
- seq.setName(id + "|" + seq.getName());
- Sequence dataset = new Sequence(seq.
- getName(),
- seq.getSequence().toString(),
- seq.getStart(), seq.getEnd());
- dataset.setSequenceFeatures(seq.getSequenceFeatures());
+ dataset.setName(id + "|" + dataset.getName());
PDBEntry entry = new PDBEntry();
entry.setId(id);
if (inFile != null)
entry.setFile(inFile.getAbsolutePath());
-
- seq.setDatasetSequence(dataset);
dataset.addPDBId(entry);
-
- getSeqs().addElement(seq);
+ getSeqs().addElement(dataset.deriveSequence()); // PDBChain objects maintain reference to dataset
}
}catch(OutOfMemoryError er)
{