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Re: [sdpd] Refine aromatic ring with Fullprof

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      <p>Hi,<br>
<br>
You can use the Rigid body option implemented in Fullprof<br>
<br>
Regards<br>
<br>
Karim ADIL<br>
<br>
Filipe Almeida Paz &lt;<a href="mailto:filipe.paz%40ua.pt";>filipe.paz...@ua.pt</a>&gt; a écrit :<br>
<br>
&gt; Dear All,<br>
&gt;<br>
&gt; I am trying to refine the carbon atoms of an aromatic ring using Fullprof.<br>
&gt; The ring belongs to the organic ligand of a MOF structure. I only have<br>
&gt; laboratory powder X-ray data for this structure...<br>
&gt;<br>
&gt; Is there any &quot;trick&quot; how to maintain planarity without using the normal<br>
&gt; C...C distances restraints usually set at the end of the .PCR file? I have<br>
&gt; tried this but I cannot reach the desired planarity.<br>
&gt;<br>
&gt; Many thanks in advance for your help.<br>
&gt;<br>
&gt; Regards<br>
&gt; Filipe<br>
&gt;<br>
&gt;<br>
<br>
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