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@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