[phenixbb] bond deviation deected by Coot

Nathaniel Echols nechols at lbl.gov
Mon Dec 5 10:55:33 PST 2011

On Mon, Dec 5, 2011 at 6:44 AM, Dialing Pretty <hdc123hdc123 at yahoo.com> wrote:
> After Pheneix refine, the quality of the structure improved significantly as
> analyzed by Molprobity. However the  bond deviation increased significantly
> after the refinement. Will you please tell me which refine function can be
> used to reduce the bond deviation detected by the Coot geometry analysis?

Optimize the X-ray/stereochemistry weight.  What is the actual bond deviation?


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