[phenixbb] fix atoms during refinement

CPMAS Chen cpmasmit at gmail.com
Mon Nov 10 08:57:24 PST 2014

Dear All Phenix Users,

Is there a way to fix certain atoms position during refinement?

I have some heavy atoms identified with MR-SAD, but when I build the whole
molecule and have phenix to refine its position, the heavy atom's position
is shifted from the anomalous signal. Therefore I would like to have these
heavy atoms positions fixed during refinement.





Charles Chen

Research Associate

University of Pittsburgh School of Medicine

Department of Anesthesiology

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