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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