for (int i = 0; i < pdb.chains.size(); i++)
{
+
+ // TODO: correctly determine sequence type for mixed na/peptide structures
AlignSeq as = new AlignSeq(sequence[s], ((PDBChain) pdb.chains
- .elementAt(i)).sequence, AlignSeq.PEP);
+ .elementAt(i)).sequence, ((PDBChain)pdb.chains.elementAt(i)).isNa ? AlignSeq.DNA : AlignSeq.PEP);
as.calcScoreMatrix();
as.traceAlignment();
PDBChain chain = ((PDBChain) pdb.chains.elementAt(i));