[phenixbb] large coordinate and map shift after simulated annealing

Pavel Afonine PAfonine at lbl.gov
Fri Jun 11 10:29:18 PDT 2010

Hi Fengyun,

interesting... Does the crystal symmetry allows an arbitrary shift along 
an axis? Anyway, it's unusual that the molecule shifts as a rigid body 
by 3A during SA, although why not ?


On 6/11/10 10:21 AM, fn1 at rice.edu wrote:
> Hi everyone,
> I am wondering why large coordinate shift could happen after simulated 
> annealing (no rigid body refinement). Although it helps decreasing R 
> values, it looks like the whole molecule shifts together by about 3 A. 
> Is this normal?
> I read a post in previous phenixbb, but I still not understand it.
> Thank you very much!
> Regards,
> Fengyun
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