Hi,<br>I&#39;m a newbie, and I&#39;d like to use Chimera to recognize functional groups on a structure or a ligand, and I need it to write a file with the atoms involved. Now, if I do Select&gt;Chemistry&gt;functional group , search for one, and export the results through &quot;write list&quot;, it exports a raw list of atoms without any specification of which atom is involved in which f.g..<br>
It could be useful to add some sort of identifier, like:<br><br>FG1:<br>atom<br>atom<br>atom<br><br>FG2:<br>atom<br>atom<br>atom<br><br>How can I do that? Already tried to modify __init__.py in ChemGroups, but all I obtain is a list of physical addresses of atoms, e.g.:<br>
<br>Group number 1 :<br>[&lt;_chimera.Atom object at 0xa455db8&gt;, &lt;_chimera.Atom object at 0xa455dd0&gt;, &lt;_chimera.Atom object at 0xa455de8&gt;, &lt;_chimera.Atom object at 0xa455e00&gt;, &lt;_chimera.Atom object at 0xa455e18&gt;]<br>
<br>Group number 2 :<br>[&lt;_chimera.Atom object at 0xa455e30&gt;, &lt;_chimera.Atom object at 0xa455e48&gt;, &lt;_chimera.Atom object at 0xa455e60&gt;, &lt;_chimera.Atom object at 0xa455e78&gt;, &lt;_chimera.Atom object at 0xa455e90&gt;]<br>
<br><br>Thank you<br><br>Mauro Truglio (Bioinformatics Lab - University of Rome Tor Vergata)<br><br>