[phenixbb] Refining coordinates

Pavel Afonine pafonine at lbl.gov
Fri Jan 10 14:15:22 PST 2014

Hi Subhani,

if phenix.refine recognizes an atom as siting on special position then 
it will automatically apply proper constraints to its motions.


On 1/10/14, 1:37 PM, Subhani Bandara wrote:
> Dear all,
> I have a protein crystallized with metal chelate complexes and some of 
> the atoms of chelators and the metals sit on the two fold axis. Is 
> there a way that I can refine the coordinates of those atoms  only 
> along the two fold axis (let's say X) while restraining the coordinate 
> refinement along other two axes (Y and Z)?
> Thanks
> Subhani

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