Hi Laura, Chimera is has not been developed for years and is superceded by ChimeraX. Here is how you would get the center of mass of some atoms in ChimeraX using Python from chimerax.core.commands import run models = run(session, 'open 1a0m') from chimerax.std_commands import measure_center xyz = measure_center.atoms_center_of_mass(models[0].atoms) (14.386647823781304, 8.386870777589746, 7.095994239867545) Tom
On Jul 12, 2024, at 12:20 PM, ldreher--- via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:
Hello,
I am trying to write a python script to prepare proteins for molecular docking, and as part of that I want to be able to identify and save the center coordinates of each protein. using runCommand('measure center #0') works fine, but I am at a loss as to how to capture the output of that command. Ideally I would like to save the output as a string in python. Any advice on how to go about this would be appreciated! Thanks!
Laura _______________________________________________ Chimera-users mailing list -- chimera-users@cgl.ucsf.edu To unsubscribe send an email to chimera-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimera-users@cgl.ucsf.edu/