On Thu, Aug 5, 2010 at 7:53 AM, Hermella Woldemdihin <span dir="ltr"><<a href="mailto:hermifi@yahoo.com">hermifi@yahoo.com</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div><div style="font-family:arial,helvetica,sans-serif;font-size:10pt"><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>