[chimera-dev] non-natural sidechains

[david gfeller]

Dear Chimera developer,

I've been working recently on a database on non-natural sidechains (
http://www.swisssidechain.ch). Among else, we've developed a novel approach
to accurately predict rotamers and our paper will be submitted within a few
days.

I'd be very interested to develop a Chimera extension to visualize them (so
far, we only have a PyMOL plug-in). I have rotamer library files in the
same format as the Dunbrack 2002 rotamer library for each of the >200
sidechains included in my database. However, it appears that rotamer files
(dependentRotamerData.zip) are encrypted in Chimera and I could not figure
out how this encryption is done.

I was wondering if you could advise me something to help me (especially
whether there are some hard-coded part that would need to be modified to
include new sidechains in Chimera) and if you'd be interested in such an
extension.

best

David

-- 
David Gfeller, PhD
Molecular Modeling
Swiss Institute of Bioinformatics
http://ludwig-sun1.unil.ch/~dgfeller/homepage/
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