<html>
<head>
<meta content="text/html; charset=windows-1252"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<p><font face="Arial">Hi Henry,</font></p>
<p><font face="Arial">have you created a proper constraint group
including both compounds as described in the manual under
special cases for occupancy refingement? That should work, I
presume. <br>
</font></p>
<p><font face="Arial"><br>
Cheers</font></p>
<p><font face="Arial">Christian</font></p>
<p><font face="Arial"><br>
</font></p>
<div class="moz-cite-prefix">Am 15.10.2016 um 22:15 schrieb van den
Bedem, Henry:<br>
</div>
<blockquote
cite="mid:4DAB33E8-6A82-46BD-8C50-A33CE59E3A7F@slac.stanford.edu"
type="cite">
<meta http-equiv="Content-Type" content="text/html;
charset=windows-1252">
<meta name="Title" content="">
<meta name="Keywords" content="">
<meta name="Generator" content="Microsoft Word 15 (filtered
medium)">
<style><!--
/* Font Definitions */
@font-face
        {font-family:"Cambria Math";
        panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
        {font-family:Calibri;
        panose-1:2 15 5 2 2 2 4 3 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
        {margin:0in;
        margin-bottom:.0001pt;
        font-size:12.0pt;
        font-family:Calibri;}
a:link, span.MsoHyperlink
        {mso-style-priority:99;
        color:#0563C1;
        text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
        {mso-style-priority:99;
        color:#954F72;
        text-decoration:underline;}
span.EmailStyle17
        {mso-style-type:personal-compose;
        font-family:Calibri;
        color:windowtext;}
span.msoIns
        {mso-style-type:export-only;
        mso-style-name:"";
        text-decoration:underline;
        color:teal;}
.MsoChpDefault
        {mso-style-type:export-only;
        font-family:Calibri;}
@page WordSection1
        {size:8.5in 11.0in;
        margin:1.0in 1.0in 1.0in 1.0in;}
div.WordSection1
        {page:WordSection1;}
--></style>
<div class="WordSection1">
<p class="MsoNormal"><span style="font-size:11.0pt">Hi:<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p>�</o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">I�m refining
a site where there�s two compounds, each at partial
occupancy. I modeled that using alt codes and insertion
codes combined, like this<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p>�</o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">ATOM�� 6500�
CA ACYS B 101B<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">ATOM�� 6490�
CA BXXX B 101A<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p>�</o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">How can I
constrain the occupancies so that they sum to unity? I tried
several option, but the distinct insertions seem to refine
independently. Sorry if a similar question has been posted
before, but I could not find a solution searching phenixbb.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p>�</o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Thanks!<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p>�</o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Henry<o:p></o:p></span></p>
</div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
phenixbb mailing list
<a class="moz-txt-link-abbreviated" href="mailto:phenixbb@phenix-online.org">phenixbb@phenix-online.org</a>
<a class="moz-txt-link-freetext" href="http://phenix-online.org/mailman/listinfo/phenixbb">http://phenix-online.org/mailman/listinfo/phenixbb</a>
Unsubscribe: <a class="moz-txt-link-abbreviated" href="mailto:phenixbb-leave@phenix-online.org">phenixbb-leave@phenix-online.org</a></pre>
</blockquote>
<br>
</body>
</html>