[phenixbb] large coordinate and map shift after simulated annealing

fn1 at rice.edu fn1 at rice.edu
Fri Jun 11 10:34:18 PDT 2010

Hi Ralf,

Thank you so much!
What's the meaning of polar axis?
For one structure, the space group is P1. For the other one, the space  
group is C2.
Do they have polar axis?


引用 "Ralf W. Grosse-Kunstleve" <rwgk at cci.lbl.gov>:

> 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.
> Ralf
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