[phenixbb] large coordinate and map shift after simulated annealing

Ralf W. Grosse-Kunstleve rwgk at cci.lbl.gov
Fri Jun 11 10:28:02 PDT 2010

Hi Fengyun,

Do you have a space group with a "polar axis"? For example P21?
If that's the case the shift is inconsequential: shifting the
entire structure arbitrarily along a polar axis does not change
the calculated structure factor amplitudes. I.e. I think you
don't have to worry about the shift.


More information about the phenixbb mailing list