Centroid: Difference between revisions
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. |
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{{Infobox script-repo | {{Infobox script-repo | ||
|type = module | |type = module | ||
|filename = centroid.py | |filename = scripts/centroid.py | ||
|author = [[User:Inchoate|Jason Vertrees]] | |author = [[User:Inchoate|Jason Vertrees]] | ||
|license = BSD | |license = BSD | ||
| Line 27: | Line 27: | ||
===See Also=== | ===See Also=== | ||
[[Center_Of_Mass]] | * [[centerofmass]] (new command in PyMOL 1.7.2) | ||
* [[Center_Of_Mass]] | |||
[[Category:Script_Library|CenterOfMass]] | [[Category:Script_Library|CenterOfMass]] | ||
[[Category:Structural_Biology_Scripts]] | [[Category:Structural_Biology_Scripts]] | ||
[[Category:Pymol-script-repo]] | [[Category:Pymol-script-repo]] | ||
Latest revision as of 01:37, 23 June 2025
| Type | Python Module |
|---|---|
| Download | scripts/centroid.py |
| Author(s) | Jason Vertrees |
| License | BSD |
| This code has been put under version control in the project Pymol-script-repo | |
Overview
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.
Syntax
centroid (selection=PyMOLSelection), [center=boolean]
Examples
# 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
- centerofmass (new command in PyMOL 1.7.2)
- Center_Of_Mass