VMD-L Mailing List
From: Shoresh Shafei (s.shafei_at_gmail.com)
Date: Wed Jan 27 2016 - 10:15:58 CST
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Hi,
I have 200 pruned pdb files in which I would like to add a hydrogen to atom A and one to atom B. I know that for a pdb file, this can be done using molefacture, however I wonder if there is a script to automate this process for 200 pdb files.
Best
Sho
- Next message: Peter Freddolino: "Re: tcl scripting for adding hydrogens to particular atoms in multiple pdb files"
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- Reply: Peter Freddolino: "Re: tcl scripting for adding hydrogens to particular atoms in multiple pdb files"
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