Re: [phenixbb] large coordinate and map shift after simulated annealing

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 ? Pavel. On 6/11/10 10:21 AM, [email protected] 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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