[Chimera-users] (no subject)

Ahir Pushpanath ahir29 at gmail.com
Wed Jun 27 10:42:21 PDT 2018

Dear Chimera Team/Users,
            I wanted to write a python script within chimera that aims to
essentially print out a contact map of a selected chunk of residues on an
open structure. However, before doing so, I wondered if there is any
programmatic way to generate the rotamer library at every position (i.e
when you open up the rotamer tool, you get an option of 5-6 conformations
you can pick for a residue), I wanted to generate that for every residue in
the protein programmatically (and save every rotamer possibility) (as an
altlocation?) in the crystal structure. Only after that do I want to
calculate the contact map, in essence, I am trying to be as expansive as
possible for each residue's "possible" contacts with any other, taking into
account the full rotamer ensemble. Any tips on how to manage this

Dr. Ahir Pushpanath* PhD.*
Senior Biologist,
Johnson Matthey.
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