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Hi Elke,<br>
<br>
phenix.refine uses similarity restraints on anisotropic ADPs as
described here:<br>
<br>
<a class="moz-txt-link-freetext" href="http://journals.iucr.org/d/issues/2012/04/00/ba5180/ba5180.pdf">http://journals.iucr.org/d/issues/2012/04/00/ba5180/ba5180.pdf</a><br>
<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 6/24/14, 5:03 AM, Elke De Zitter
wrote:<br>
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<div style="direction: ltr;font-family: Tahoma;color:
#000000;font-size: 10pt;">Dear All
<div><br>
</div>
<div>I'm refining a protein structure with a resolution of 1.25
A, using Phenix GUI version 1.9. I am refining the B-factors
for the protein atoms anisotropic and those for the water
molecules isotropic. How can I restrain the anisotropic
B-factors so that bonded atoms have similar ellipsoids (like
the SIMU and DELU commands in Shelx making the atoms moving
similarly in direction and amount)?</div>
<div><br>
</div>
<div>Thanks</div>
<div>Elke<br>
<div><br>
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Elke De Zitter</p>
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