Hi Simon,<br>Often times I do modification of ligand geometries in reel specially if you have double and triple bond in your ligand.<br>HTH,<br>shya<br><br><div class="gmail_quote">On Mon, Mar 12, 2012 at 12:43 PM, Simon Kolstoe <span dir="ltr"><<a href="mailto:s.kolstoe@ucl.ac.uk">s.kolstoe@ucl.ac.uk</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi there,<br>
<br>
Who's the best person to talk to when phenix.elbow is not assigning correct geometry to a molecule?<br>
<br>
Thanks,<br>
<br>
Simon<br>
<br>
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Dr Simon Kolstoe<br>
Laboratory for Protein Crystallography<br>
Wolfson Drug Discovery Unit<br>
University College London<br>
Rowland Hill Street, London NW3 2PF<br>
<br>
Tel: 020 7433 2765<br>
<a href="http://www.ucl.ac.uk/%7Ermhasek" target="_blank">http://www.ucl.ac.uk/~rmhasek</a><br>
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</blockquote></div><br>