Hi ChimeraX teams, I want to search ligand center for docking analysis. What command do I need to use to retrieve the ligand center (x,y,z)? Example pdbid is 4yvv and the ligand is GBM. So i want the GBM's x,y,z coordinates. Thank you. Regards, Aida.
Hi Aida, the pdb file reports the coordinates of the atoms. Best Marco Il 24/09/25 11:46, NUR AIDA SAKINAH via ChimeraX-users ha scritto:
Hi ChimeraX teams,
I want to search ligand center for docking analysis. What command do I need to use to retrieve the ligand center (x,y,z)? Example pdbid is 4yvv and the ligand is GBM. So i want the GBM's x,y,z coordinates.
Thank you.
Regards, Aida.
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-- Dr.Marco Sette, Ph.D. Department of Chemical Sciences and Technology University of Rome, "Tor Vergata" via della Ricerca Scientifica, 00133, Rome, Italy e-mail:sette@uniroma2.it e-mail:m77it@yahoo.it Tel.: +39-0672594424 Fax: +39-0672594328 http://stc.uniroma2.it/?page_id=622&cn-entry-slug=marco-sette
Hi Aida, I think you want to use “measure center” https://www.cgl.ucsf.edu/chimerax/docs/user/commands/measure.html#center So something like “measure center :GBM” Cheers, Alexis On Wed, Sep 24, 2025 at 3:09 AM Marco Sette via ChimeraX-users < chimerax-users@cgl.ucsf.edu> wrote:
Hi Aida,
the pdb file reports the coordinates of the atoms.
Best
Marco Il 24/09/25 11:46, NUR AIDA SAKINAH via ChimeraX-users ha scritto:
Hi ChimeraX teams,
I want to search ligand center for docking analysis. What command do I need to use to retrieve the ligand center (x,y,z)? Example pdbid is 4yvv and the ligand is GBM. So i want the GBM's x,y,z coordinates.
Thank you.
Regards, Aida.
_______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://urldefense.com/v3/__https://mail.cgl.ucsf.edu/mailman/archives/list/...
-- Dr.Marco Sette, Ph.D. Department of Chemical Sciences and Technology University of Rome, "Tor Vergata"via della Ricerca Scientifica, 00133, Rome, Italy <https://www.google.com/maps/search/via+della+Ricerca+Scientifica,+00133,+Rom...> e-mail: sette@uniroma2.it e-mail: m77it@yahoo.it Tel.: +39-0672594424 Fax: +39-0672594328http://stc.uniroma2.it/?page_id=622&cn-entry-slug=marco-sette
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participants (3)
-
Alexis Rohou -
Marco Sette -
NUR AIDA SAKINAH