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-------- Original Message --------
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">Subject: </th>
<td>Re: [Chimera-users] Question about selection...</td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">Date: </th>
<td>Tue, 10 Aug 2010 13:49:55 -0500</td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">From: </th>
<td>Elaine Meng <a class="moz-txt-link-rfc2396E" href="mailto:meng@cgl.ucsf.edu"><meng@cgl.ucsf.edu></a></td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">Reply-To: </th>
<td>Chimera BB <a class="moz-txt-link-rfc2396E" href="mailto:chimera-users@cgl.ucsf.edu"><chimera-users@cgl.ucsf.edu></a></td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">To: </th>
<td>Yasser Almeida Hernandez <a class="moz-txt-link-rfc2396E" href="mailto:almeida@cim.sld.cu"><almeida@cim.sld.cu></a></td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">CC: </th>
<td>Chimera BB <a class="moz-txt-link-rfc2396E" href="mailto:chimera-users@cgl.ucsf.edu"><chimera-users@cgl.ucsf.edu></a></td>
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<pre>Hi Yasser,
if you want to generally select all singleton atoms (atoms not bonded to other atoms), you could use this command:
sel @/!bonds
this is an example of specification by attribute, described here:
<a class="moz-txt-link-rfc2396E" href="http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/atom_spec.html#descriptors"><http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/atom_spec.html#descriptors></a>
I hope this helps,
Elaine
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Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Aug 10, 2010, at 7:49 AM, Yasser Almeida Hernández wrote:
> Hi...
> The problem is that I have hundreds of pdb files with this format: four models (or less), where each one is an aminoacid and a single atom. Mostly, the single atom is an heteroatom and i select it with :/isHet, but sometimes this atom is a protein atom with the ATOM field and then, the :/isHet selection doesn't work...
> There is some tricky way to select this single atom types (ATOM), according to the structure of the pdb file...???
> Thanks
.
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