[Biopython-dev] changing PDB file chains

John Berrisford jmb at ebi.ac.uk
Thu Jun 13 19:01:39 UTC 2013


Hi

 

I'm trying to use biopython to update a PDB file.

 

I'm trying to update the chain ID of a series of waters in a PDB file. I
have the original chain ID, new chain ID and water residue number in an
mmcif file which I parse using a separate parser. Then for each water I have
in the mmcif file I want to update the chain ID from the cif file. 

I then want to write out the updated water line (to test it works) or write
out the updated PDB file.

 

Is this possible with biopython?

 

Regards

 

John




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