[Biopython] Bio.PDB: removing disordred atoms
Ramon Crehuet
rcsqtc at iqac.csic.es
Tue May 19 08:55:14 UTC 2009
Dear all,
I'd like to save a pdb without the positions of alternative atoms, i.e,
for disordered atoms keep only atom.altloc='A'.
I though of something like:
all_atoms=[]
for chain in structure[0]:
for residue in chain.child_list:
all_atoms=all_atoms+residue.get_unpacked_list()
for atom in all_atoms:
if atom.altloc=='B': del atom
io=Bio.PDB.PDBIO()
io.set_structure(structure)
io.save('pdb_out_filename')
But that doesn't works. Disordred atoms are still there :-(
Thanks in advance,
Ramon
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