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<p class="MsoNormal">Hi all,</p>
<p class="MsoNormal">I hope you are doing well.</p>
<p class="MsoNormal">I am looking for a time-efficient way of obtaining the coordinates of specified residues.</p>
<p class="MsoNormal">I cannot use the command getcrd as I need these coordinates in a python script for defining geometric objects (getcrd prints the output to the log).</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">My attempt at this consisted of selecting all of the specified residues via run(session, ‘sel ...’), accessing that selection using selected_residues(session), and then, extracting the coordinates using .atoms.coords.</p>
<p class="MsoNormal">The issue here is that run(session, ‘sel ...’) slows down if there are lots of specified residues.</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I tried bypassing the command ‘sel’ by first importing AtomSpecArg from chimerax.core.commands.atomspec and then using AtomSpecArg.parse('my residue_ID', session)[0].evaluate(session).atoms[0]. However, this is even slower.</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Regards,</p>
<p class="MsoNormal">Shubham</p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">
Mail</a> for Windows</p>
<p class="MsoNormal"><o:p> </o:p></p>
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