[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.

Thanks!

Charles

-- 

***************************************************

Charles Chen

Research Associate

University of Pittsburgh School of Medicine

Department of Anesthesiology

******************************************************
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20141110/69e6fc0f/attachment.htm>


More information about the phenixbb mailing list