[Chimera-users] Distance between atoms using Python
goddard at cgl.ucsf.edu
Fri Jul 18 10:39:41 PDT 2008
Attached is some Python code for controlling ligand display based on
distance between two atoms.
Edward Brignole wrote:
> Thanks again for your help with that atom display. Got another
> MDtrajectory issue for you. I've got a ligand in each of 10 domains
> in the structure and I only want to display the ligands in the frames
> that have less than a certain distance between a particular atom in
> the ligand and a particular atom in a neighboring domain.
> The distance command won't work for me because all it does is add a
> distance to the distance dialog when I need it as a variable in the
> script to evaluate with "if distance < 10: display atomspecs"
> Sorry to keep bugging you with these things but I assure you it isn't
> without trying for several hours to no avail before finally resorting
> to asking.
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