… and if you want to find the carbonyls only in GLU residues, you would intersect the specifier with :GLU, i.e.: select carbonyl & :glu —Eric Eric Pettersen UCSF Computer Graphics Lab
On Dec 11, 2019, at 9:34 AM, Elaine Meng <meng@cgl.ucsf.edu> wrote:
Hi Damien, You’ll like this… simply the command: select carbonyl
It selects the atoms as well as the bond between them.
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: <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/atom_spec.html#builtin>
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco
On Dec 11, 2019, at 8:02 AM, Damien Larivière <damien@fourmentinguilbert.org> wrote:
Dear All,
My question is naive but I have difficulties to figure out how to do it with Chimera.
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.
Is there a way, via a command line, to do it?
Thanks for your help on this.
Damien
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