[chimera-dev] Automate Energy Minimization of pdb files

Ajay Pal d16124207 at mydit.ie
Fri Jan 20 03:53:39 PST 2017


Dear Developers

I am trying to build a chimera integrated python script to energy minimize
protein pdb files.

I have a list of ~400 pdb files (clean homology models) which I need to
Energy minimize
Can you please help me with this matter: like how to select files from
directory
adding H-atoms selecting the forcefield, etc how can I automate this whole
process ?

Thank you, I would appreciate all your help.
Ajay
-- 
Ajay Pal
PhD Research Student
Dublin Institute of Technology, Dublin

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