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). Example: 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: http://www.phenix-online.org/documentation/refinement.htm including syntax for atom selections. Let me know if you have any other questions or problems. Pavel. 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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