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Hi Esmael,<br>
<br>
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.<br>
<br>
Pavel.<br>
<br>
<br>
On 1/13/10 4:28 PM, esmael wrote:
<blockquote cite="mid:FA118A75-B8B0-4103-BB70-B92F941EAC6F@uchicago.edu"
type="cite">
<pre wrap="">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:
</pre>
<blockquote type="cite">
<pre wrap="">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:
</pre>
<blockquote type="cite">
<pre wrap="">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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