[phenixbb] idealizing structure

Pavel Afonine pafonine at lbl.gov
Tue Jan 20 11:58:23 PST 2015


>   Is there a way to "idealize" a structure in Phenix?
>
> I mean, ideal omega, all residues within allowed regions of Ramachandran maps, no clashes..etc. I know it won't fit the map well but I would like to see what it looks like.

Yes, using phenix.geometry_minimization :

http://phenix-online.org/documentation/reference/geometry_minimization.html

Pavel



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