[Chimera-users] selection of specific bonds
pett at cgl.ucsf.edu
Wed Dec 11 10:25:28 PST 2019
… and if you want to find the carbonyls only in GLU residues, you would intersect the specifier with :GLU, i.e.:
select carbonyl & :glu
UCSF Computer Graphics Lab
> On Dec 11, 2019, at 9:34 AM, Elaine Meng <meng at 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:
> I hope this helps,
> 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 at 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.
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