[Biopython] PDBParser

George Devaniranjan devaniranjan at gmail.com
Mon May 7 22:25:46 UTC 2012


Hi,

I have a question about using  PDBParser


from Bio.PDB.PDBParser import PDBParser

parser=PDBParser()

structure=parser.get_structure("test", "1fat.pdb")
model=structure[0]
chain=model["A"]
residue=chain[1]

I want to use it to extract and WRITE to a file the coordinates of residues
10 to 20 only.
(or whatever residue range I specify)

Using the PDB Parser file I can extract residue id  in the range but how to
I back trace and write the file in the exact format that is found in the
PDB so that I can view it in a program like VMD/Pymol?
(that is I want to write the coordinates and all information as found in
the PDB but only for selected residues that I pass into it )
I know I can do it using VMD but I want to do it for thousands of PDB and
would like to write a database of such extracted fragments.

The other alternative is of course to go line by line in each file and
write the lines that match the residue range specified but I was wondering
if there is a way of doing the same thing using the PDBParser?

Thank you,
George



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