Difference between revisions of "Centroid"

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(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.)
m (moved Com to Centroid)
(No difference)

Revision as of 17:59, 14 September 2015

Type Python Module
Download centroid.py
Author(s) Jason Vertrees
License BSD
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

See Also