PDBFileParser and identifying atoms in ligands
"Andy Thomas-Cramer" <[email protected]>
| Newsgroups | gmane.comp.java.bio.general |
|---|---|
| Message-ID | <[email protected]> |
>From a PDB file, I can identify which atoms are in ligands, and which are in residues in the chain. The chain atoms end with the TER record. >From the BioJava API, I can distinguish as well -- if it's an amino sequence and the automatic alignment between SEQRES and ATOM sequences is successful. Is there a way through the API to identify atoms in ligands, when the chain is not an amino sequence or alignment fails? It looks like the TER record is ignored by PDBFileParser. _______________________________________________ Biojava-l mailing list - [email protected] http://lists.open-bio.org/mailman/listinfo/biojava-l