All,
I've run into a problem where I need to change the beta column for PDB
files openbabel outputs. For example I need to change:
COMPND geometry
AUTHOR GENERATED BY OPEN BABEL 3.1.0
ATOM 1 CAY ACE A 1 -2.171 -2.900 -1.513 1.00
0.00 C
To this:
COMPND geometry
AUTHOR GENERATED BY OPEN BABEL 3.1.0
ATOM 1 CAY ACE A 1 -2.171 -2.900 -1.513 1.00
1.00 C
I'd like to change the beta data columns for specific atoms. I have
looked through the Obconversion docs and have not found an obvious way
to do this. Right now I am using Openbabel 3.1.0 with python.
Thanks,
Richard
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