[phenixbb] Side chain refinement

Pavel Afonine PAfonine at lbl.gov
Sun Jan 17 20:05:35 PST 2010

Hi Esmael,

yes, you can do it in phenix.refine. In general, you can refine 
coordinates, b-factors or occupancies of any selected atoms with any 
available strategy (SA is an exception).


phenix.refine mode.pdb data.mtz refine.sites.individual="sidechain"

will refine the coordinates of sidechain atoms only, and B-factors of 
all the atoms.

There are more examples here:


including syntax for atom selections.

Let me know if you have any other questions or problems.


On 1/17/10 7:32 PM, Esmael Haddadian wrote:
> Hi all,
> What would be the best strategy to only refine the side-chains in a give structure with minimal movement of the backbone?
> Thanks,
> Esmael
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> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

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