[phenixbb] exploring the conformational space of sidechains

Ed Pozharski epozh001 at umaryland.edu
Wed Oct 26 21:11:43 PDT 2011

You can do simulated annealing in CNS with backbone fixed or
harmonically restrained.

On Thu, 2011-10-27 at 10:06 +0900, Francois Berenger wrote:
> Hello,
> Is there a way to do this with Phenix?
> I.e., from a given model, obtain models with
> different but also reasonable sidechains conformations.
> N.b.: I don't have X-ray data so I am looking
> for a geometric thing, and I'm OK
> if the model's backbone undergoes some small
> movement because of the sidechains having moved.
> Thanks a lot,
> F.
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