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Using the command line this would look like:<br>
<br>
phenix.pdbtools model.pdb set_b_iso=20 selection=water<br>
<br>
Pavel.<br>
<br>
<br>
On 8/5/10 10:04 AM, Nathaniel Echols wrote:
<blockquote
cite="mid:AANLkTi=VsbyhcT7w-88y9kKFoWUA4YveF8M70qk+e2_9@mail.gmail.com"
type="cite">On Thu, Aug 5, 2010 at 7:53 AM, Hermella Woldemdihin <span
dir="ltr"><<a moz-do-not-send="true"
href="mailto:hermifi@yahoo.com">hermifi@yahoo.com</a>></span>
wrote:<br>
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<div style="font-family: arial,helvetica,sans-serif;
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<div>Where can I set B-factor for water in phenix.refine
on the GUI version of phenix?</div>
</div>
</div>
</blockquote>
<div><br>
</div>
<div>Do you mean resetting the B-factors for all waters, or the
B-factor for new solvent molecules when the water picking
option is selected? For the latter, it is here:</div>
<div><br>
</div>
<div>Settings menu->Ordered solvent...->Initial B-factor
value</div>
<div><br>
</div>
<div>(You may need to change the "user level" menu to
"intermediate" or "advanced" if you don't see that control at
first.)</div>
<div><br>
</div>
<div>If you want to reset B-factors for existing waters, open
Settings menu->Model modifications->Modify ADPs, enter
the selection for waters in the first control ("resname HOH"
is usually all you need), and enter a suitable value in "Set
isotropic B to:".</div>
<div><br>
</div>
<div>Of course in either case, by default phenix.refine will
re-refine those initial values.</div>
<div><br>
</div>
<div>-Nat</div>
</div>
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