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You can generate and use metal coordination restraints. Run<br>
<br>
phenix.metal_coordination model.pdb<br>
<br>
then check and edit (if necessary) resulting file and give to
phenix.refine next time you run it.<br>
<br>
I'm pretty sure you can do it in the GUI.<br>
<br>
Pavel<br>
<br>
<br>
<div class="moz-cite-prefix">On 11/10/14 8:57 AM, CPMAS Chen wrote:<br>
</div>
<blockquote
cite="mid:CAAU4GKZuB1BoDFaREAk0LxH01tMFios_YHfsQgRWzt=K9-tcnQ@mail.gmail.com"
type="cite">
<div dir="ltr">Dear All Phenix Users,
<div><br>
</div>
<div>Is there a way to fix certain atoms position during
refinement?</div>
<div><br>
</div>
<div>I have some heavy atoms identified with MR-SAD, but when I
build the whole molecule and have phenix to refine its
position, the heavy atom's position is shifted from the
anomalous signal. Therefore I would like to have these heavy
atoms positions fixed during refinement. </div>
<div><br>
</div>
<div>Thanks!</div>
<div><br>
</div>
<div>Charles </div>
<div>
<div><br>
</div>
-- <br>
<div class="gmail_signature">
<p>***************************************************</p>
<p>Charles Chen</p>
<p>Research Associate</p>
<p>University of Pittsburgh School of Medicine</p>
<p>Department of Anesthesiology</p>
<p>******************************************************</p>
</div>
</div>
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