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<p>Dear Henry, you can find the answer here</p>
<p><a class="moz-txt-link-freetext" href="https://www.phenix-online.org/newsletter/CCN_2015_07.pdf#page=12">https://www.phenix-online.org/newsletter/CCN_2015_07.pdf#page=12</a></p>
<p>example 5. Unfortunately 1EJG does not open in coot, because of a
coordinate read error <br>
</p>
<p>ERROR 42 READ: Duplicate sequence number and insertion code.<br>
�������� LINE #875<br>
���� ATOM��� 414� CA BSER A� 22������ 6.034� 13.399� -2.687� 0.21�
1.55 <br>
</p>
<p>However pymol works.<br>
</p>
<p>The example is crambin<br>
</p>
<p><img src="cid:part1.2E929F35.3BE23F55@univie.ac.at" alt=""></p>
<p><br>
Here is pasted and changed a bit one sentence from the newsletter:<br>
</p>
<p>If residuenumber and chain ids are identical,while altloc are
different, as well as residue names are allowed to be different.</p>
<p>So you have to remove <br>
</p>
<pre><font size="2">27 AChar iCode Code for insertion of residues.
</font></pre>
<p>this should work</p>
<p class="MsoNormal"><span style="font-size:11.0pt">ATOM�� 6500� CA
ACYS B 101<o:p></o:p></span></p>
<span style="font-size:11.0pt">ATOM�� 6490� CA BXXX B 101<br>
<br>
Phenix will handle this then automatically.<br>
<br>
Best regards, Georg.<br>
<br>
<br>
<br>
<br>
</span>
<div class="moz-cite-prefix">On 10/15/2016 11:15 PM, van den Bedem,
Henry wrote:<br>
</div>
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<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>
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<br>
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