Re: [phenixbb] exploring the conformational space of sidechains

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. _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb