[Chimera-users] info pivotting on a single atom
Elaine Meng
meng at cgl.ucsf.edu
Fri Oct 4 13:53:21 PDT 2013
Dear Christian,
If you use "select" instead of "cofr" does the command select the atom? I.e., command:
select #3:700.A at N10
If it does not, there is something wrong with your specification.
If it does, but the cofr command still doesn't work to put the center of rotation there, I have no idea about what could be happening. Your command seems correct.
<http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/cofr.html>
You could use menu: Help... Report a Bug, include short description with the cofr command that you tried and also attach your PDB file or a Chimera session file (because we can't fix a bug unless we can reproduce it). Also include your email address to get feedback about what happens with your bug report.
Thanks,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Oct 4, 2013, at 1:29 AM, Christian Martinoli wrote:
> Dear Elaine,
> still, also with your suggestions, I could not overcome the problem.
> Since I need to write a script, I need to use just command lines not the graphic interface (where the pivot selection is working). Using cofr i expected that the selected atom would have taken as pivot of the entire molecule, which in my case is not.
> this is the exact line I 'm using.
>
> cofr #3:700.A at N10
>
> the syntax seems correct but still the actual center of rotation is somewhere else
>
> any idea about?
> thankyou,
> Christian
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