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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">I don't know why that doesn't work, but:<br>
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select :WAT@O <br>
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seems to (if you only have the one water in your pdb file), as does:<br>
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select :127.water@O <br>
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(which would presumably limit the selection to the one water molecule)<br>
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<div style="font-family:Tahoma; font-size:13px"> - Mark<br>
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<div style="direction: ltr;" id="divRpF647433"><font color="#000000" face="Tahoma" size="2"><b>From:</b> chimera-users-bounces@cgl.ucsf.edu [chimera-users-bounces@cgl.ucsf.edu] on behalf of George Tzotzos [gtzotzos@me.com]<br>
<b>Sent:</b> Thursday, November 14, 2013 8:08 AM<br>
<b>To:</b> chimera List<br>
<b>Subject:</b> [Chimera-users] Residue selection<br>
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<div class="PlainText">I'm attaching a pdb file of a protein ligand complex with a single conserve water molecule. The pdb file was constructed with Antechamber Leap. The water molecule is numbered as residue 127. When I try to select using: select :127 nothing
happens. Selection works with: select :WAT<br>
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The problem is that I need to monitor the distance between :127@O and a particular atom in the binding site of the protein during an MD trajectory.<br>
<br>
My question is if I'm doing something wrong with the residue selection.<br>
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Many thanks in advance for your help<br>
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Regards<br>
<br>
George<br>
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