Hi Esmael,

no, SA is always applied to the whole structure. It is in to-to list to make it possible to apply SA to a part of a structure.

Pavel.


On 1/13/10 4:28 PM, esmael wrote: 
Hi Pavel,

Thanks, could simulated annealing also be applied only to a portion of the molecule?

Esmael


On Jan 13, 2010, at 6:22 PM, Pavel Afonine wrote:

  
Hi Esmael,

yes. Example:

phenix.refine model.pdb data.mtz modify_start_model.sites.shake=0.5 modify_start_model.selection="sidechain"

Pavel.


On 1/13/10 4:06 PM, esmael wrote:
    
Hi,

In phenix.refine can the shake option be applied to only a portion of the molecule? (for example to side-chains only).

Thanks,

Esmael Haddadian


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