<html><body><div style="color:#000; background-color:#fff; font-family:Courier New, courier, monaco, monospace, sans-serif;font-size:10pt"><div><span>This should work as you expect in more recent phenix versions. My recommendation is to install 1.7.1 and then try again. -- phenix versions can co-exist. Just make sure you source the phenix_env of the version you want to use.</span></div><div><span>Ralf<br></span></div><div><br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><div style="font-family: Courier New, courier, monaco, monospace, sans-serif; font-size: 10pt;"><div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"><font face="Arial" size="2"><hr size="1"><b><span style="font-weight:bold;">From:</span></b> J. Fleming <moloch525@gmail.com><br><b><span style="font-weight: bold;">To:</span></b> phenixbb@phenix-online.org<br><b><span style="font-weight:
bold;">Sent:</span></b> Saturday, April 30, 2011 9:13 PM<br><b><span style="font-weight: bold;">Subject:</span></b> Re: [phenixbb] Sulfate ion on 2-fold axis<br></font><br>
<div id="yiv695713228">Hi all,<br><br> I have a sulfate ion sitting on a 2-fold axis of symmetry. If I set all the atom occupancies to 0.5 and refine using phenix.refine (Phenix v. 1.5-2) the occupancies are changed to 0.00 for the sulfur, 1.00 for three of the oxygen's, and 0.72 for the fourth oxygen. Can anyone explain this?<br>
<br>Thanks in advance,<br>Jon<br>
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