[BioPython] HETATM records retrieval
Orlando Döhring
orlando.doehring at googlemail.com
Sat Jul 14 17:59:44 UTC 2007
Dear community,
how should HETATM records be retrieved via Biopython? I assume it should be
somewhere on the chain or residue level:
-
http://www.biopython.org/DIST/docs/api/public/Bio.PDB.Residue.Residue-class.html
- http://biopython.org/DIST/docs/api/private/Bio.PDB.Chain.Chain-class.html
Using the following basic sample code :
for model in self.structure.get_iterator():
for chain in model.get_iterator():
print chain.__repr__()
for residue in chain.get_iterator():
print residue.__repr__()
applied to protein 1DHR (http://www.pdb.org/pdb/files/1dhr.pdb) we get:
<Chain id= >
<Residue GLU het= resseq=5 icode= >
<Residue ALA het= resseq=6 icode= >
<Residue ARG het= resseq=7 icode= >
<Residue ARG het= resseq=8 icode= >
<Residue VAL het= resseq=9 icode= >
<Residue LEU het= resseq=10 icode= >
...
<Residue ALA het= resseq=238 icode= >
<Residue TYR het= resseq=239 icode= >
<Residue PHE het= resseq=240 icode= >
As one can see that are all ATOM records. Thanks.
Yours,
Orlando
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