[phenixbb] Shake

[esmael]

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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