<div>Hi Francis,</div><div>You might have to open the cif file and change bond angles and restrains where you think the molecule is distorted. </div><div>Shya<br><br></div><div class="gmail_quote">On Fri, Aug 26, 2011 at 11:03 AM, Francis E Reyes <span dir="ltr"><<a href="mailto:Francis.Reyes@colorado.edu" target="_blank">Francis.Reyes@colorado.edu</a>></span> wrote:<br>
<blockquote style="margin: 0px 0px 0px 0.8ex; padding-left: 1ex; border-left-color: rgb(204, 204, 204); border-left-width: 1px; border-left-style: solid;" class="gmail_quote">
Hi all<br>
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I've got 3.0A data and I'm ending up with distorted ligand geometry in phenix.refine. The model is complete and fitting the ligand is the final step (refined with individual_sites and individual_sites_real_space as suggested by an earlier posting). I've tried with a wxc_scale of 0.001 and it still looks wonky (tetrahedral C's not being so, etc).<br>
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My cif is coming from phenix's internal db.<br>
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Any suggestions?<br>
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F<br>
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Francis E. Reyes M.Sc.<br>
215 UCB<br>
University of Colorado at Boulder<br>
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