Revision as of 17:54, 14 September 2015 by OsvaldoMartin (What this script is actually computing is the centroid not the center of mass. The center of mass is the mass-weighted average of the coordinates.)
|This code has been put under version control in the project Pymol-script-repo|
Centroid is a small script that returns the value of the geometric center (or centroid) of your selection. It also can translate the object of that selection to the origin.
centroid (selection=PyMOLSelection), [center=boolean]
# get the centroid of the polymer import centroid fetch 4ins, async=0 centroid polymer # move some 'ligand' to the origin centroid ligand, center=1