[Biopython] Remove heteroatoms
Rojan Shrestha
rojan at riken.jp
Fri Sep 5 04:46:01 UTC 2014
Hello,
Can someone tell me about removing heteroatoms from PDB?
Here is the code for removing the heteroatoms I took from the link -
http://pelican.rsvs.ulaval.ca/mediawiki/index.php/Manipulating_PDB_files_usi
ng_BioPython but it did not work. I have tested with 1C4R.pdb. It removes
some water but some still remain in PDB.
for model in structure:
for chain in model:
for residue in chain:
id = residue.id
if id[0] != ' ':
chain.detach_child(id)
if len(chain) == 0:
model.detach_child(chain.id)
Regards,
Rojan
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