[BioPython] Automated ligand extraction from PDB
Tomek Jarzynka
tomee at genesilico.pl
Fri Oct 20 00:52:33 UTC 2006
Hi,
I would like to create a script that would take a PDB file as input,
try and identify the ligand structures and delete them from the PDB
file. I figured this would be possible with Biopython by looking at
the atom id (whether it contains 'H_') and subclassing Select to
not allow those items to be written to a file.
Is there any more elegant way of doing this, perhaps another PDB parser
framework, or maybe someone has already done similar work?
Thanks in advance,
--
Tomasz K. Jarzynka / +48 601 706 601 / tomee(a-t)genesilico(d-o-t)pl
Laboratory of Bioinformatics and Protein Engineering | www.genesilico.pl
International Institute of Molecular and Cell Biology | www.iimcb.gov.pl
"You can have either freedom of speech or quality of communication.
-- Orson Scott Card"
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