[Chimera-users] (no subject)

[Ahir Pushpanath]

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
programmatically?

-- 
Dr. Ahir Pushpanath* PhD.*
Senior Biologist,
Johnson Matthey.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20180627/cbb3237d/attachment.html>