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<p>Hi Nic,</p>
<p><br>
</p>
<p>this fits one of scenarios described here:</p>
<p><br>
</p>
<p><a class="moz-txt-link-freetext" href="https://phenix-online.org/phenixwebsite_static/mainsite/files/newsletter/CCN_2015_07.pdf#page=12">https://phenix-online.org/phenixwebsite_static/mainsite/files/newsletter/CCN_2015_07.pdf#page=12</a></p>
<p><br>
</p>
<p>Let me know if you have questions or need help with setting the
refinement up.</p>
<p><br>
</p>
<p>Pavel<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/14/23 21:09, Calvin N Steussy
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CH2PR22MB19604A62F143ABDAE480EC7EAEF7A@CH2PR22MB1960.namprd22.prod.outlook.com">
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All,</div>
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<br>
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<div
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I need to refine a ligand that consists of two stereoisomers in
my active site. I have decent density and have created models
for the r and s forms of the guest with separate cif files.
They have been fit independently into the active site density.
My questions are;</div>
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How to show these in the pdb file. Separate chains? Separate
amino acids in a given chain?</div>
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How do I keep them from interacting with one another during
refinement?</div>
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Creating an alt-position seems obvious but I'm not certain how
to apply the different stereo restraints in that case.</div>
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<br>
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I'm sure someone has solved this before but I can't seem to find
that information.
<br>
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<br>
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Thanks,</div>
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<br>
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<div
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Nic Steussy</div>
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Purdue University.</div>
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<br>
</div>
<br>
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