[phenixbb] Shake
esmael
haddadian at uchicago.edu
Wed Jan 13 16:28:10 PST 2010
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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