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<p>Dear Elaine and Eric,</p>
<p>That worked quite fine. Many thanks for your help on this.</p>
<p>My best regards,</p>
<p>Damien<br>
</p>
<div class="moz-cite-prefix">Le 11/12/2019 à 19:25, Eric Pettersen a
écrit :<br>
</div>
<blockquote type="cite"
cite="mid:8C870B19-FA80-4A39-B184-5C5FB33AC2DA@cgl.ucsf.edu">
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… and if you want to find the carbonyls only in GLU residues, you
would intersect the specifier with :GLU, <i class="">i.e.</i><span
style="font-style: normal;" class="">:</span>
<div class=""><br class="">
</div>
<div class="">select carbonyl & :glu</div>
<div class=""><br class="">
</div>
<div class="">—Eric<br class="">
<div class="">
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</span>Eric Pettersen</div>
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none;" class=""><span class="Apple-tab-span" style="white-space: pre;"> </span>UCSF
Computer Graphics Lab</div>
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<blockquote type="cite" class="">
<div class="">On Dec 11, 2019, at 9:34 AM, Elaine Meng <<a
href="mailto:meng@cgl.ucsf.edu" class=""
moz-do-not-send="true">meng@cgl.ucsf.edu</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div class="">Hi Damien,<br class="">
You’ll like this… simply the command: select carbonyl<br
class="">
<br class="">
It selects the atoms as well as the bond between them.<br
class="">
<br class="">
You can specify in the command line any of the
functional groups that appear in the menu under Select…
Chemistry… functional group. It’s mentioned here:<br
class="">
<<a
href="http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/atom_spec.html#builtin"
class="" moz-do-not-send="true">http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/atom_spec.html#builtin</a>><br
class="">
<br class="">
I hope this helps,<br class="">
Elaine<br class="">
-----<br class="">
Elaine C. Meng, Ph.D.<br class="">
UCSF Chimera(X) team<br class="">
Department of Pharmaceutical Chemistry<br class="">
University of California, San Francisco<br class="">
<br class="">
<blockquote type="cite" class="">On Dec 11, 2019, at
8:02 AM, Damien Larivière <<a
href="mailto:damien@fourmentinguilbert.org" class=""
moz-do-not-send="true">damien@fourmentinguilbert.org</a>>
wrote:<br class="">
<br class="">
Dear All,<br class="">
<br class="">
My question is naive but I have difficulties to figure
out how to do it with Chimera.<br class="">
<br class="">
I would like to select specifically the group of two
atoms (C and O) formed in a carbonyl bond C=O for all,
say, GLU residues of a protein.<br class="">
<br class="">
Is there a way, via a command line, to do it?<br
class="">
<br class="">
Thanks for your help on this.<br class="">
<br class="">
Damien<br class="">
</blockquote>
<br class="">
<br class="">
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</blockquote>
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