[Chimera-users] selection of specific bonds
damien at fourmentinguilbert.org
Thu Dec 12 07:38:08 PST 2019
Dear Elaine and Eric,
That worked quite fine. Many thanks for your help on this.
My best regards,
Le 11/12/2019 à 19:25, Eric Pettersen a écrit :
> … 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 Pettersen
> UCSF Computer Graphics Lab
>> On Dec 11, 2019, at 9:34 AM, Elaine Meng <meng at cgl.ucsf.edu
>> <mailto: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
>>> <mailto: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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