[chimerax-users] Sorting the required molecules in cvc file

[Elaine Meng]

HI Dmitry,
I think you would need to write a python script to get this kind of customized output.

Without programming, you can list various kinds of information with "info" (e.g. "info atoms" "info residues") but you would have to do a bunch of reformatting and sorting to get to that specific result.

<https://rbvi.ucsf.edu/chimerax/docs/user/commands/info.html>

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Aug 2, 2022, at 4:51 AM, Dmitry Semchonok via ChimeraX-users <chimerax-users at cgl.ucsf.edu> wrote:
> 
> Dear colleagues,
> 
> I would like to find out about the possibilities.
> 
> I have a model that contains apart from the other data, the pigment molecules – chlorophylls, carotenoids etc.
> 
> Is there a way sort certain types of molecules in a *.cvc file by chimeraX so that the following information will be shown?
> 
> Mol,Label,Element,X,Y,Z
> CHL,n 606,NC,267.342,151.989,253.363
> CHL,n 606,MG,266.202,151.941,255.073
> CHL,n 607,NB,275.512,153.952,252.428
> CLA,n 610,MG,273.005,139.807,270.918
> CLA,n 611,NB,288.916,127.885,266.725
> 
> Thank you!
> 
> Kind regards,
> Dmitry