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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.) |
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| Line 1: | Line 1: | ||
{{Infobox script-repo | {{Infobox script-repo | ||
|type = module | |type = module | ||
| − | |filename = | + | |filename = centroid.py |
|author = [[User:Inchoate|Jason Vertrees]] | |author = [[User:Inchoate|Jason Vertrees]] | ||
|license = BSD | |license = BSD | ||
| Line 7: | Line 7: | ||
== Overview == | == 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 == | == Syntax == | ||
<source lang="python"> | <source lang="python"> | ||
| − | + | centroid (selection=PyMOLSelection), [center=boolean] | |
</source> | </source> | ||
== Examples == | == Examples == | ||
<source lang="python"> | <source lang="python"> | ||
| − | # get the | + | # get the centroid of the polymer |
| − | import | + | import centroid |
fetch 4ins, async=0 | fetch 4ins, async=0 | ||
| − | + | centroid polymer | |
# move some 'ligand' to the origin | # move some 'ligand' to the origin | ||
| − | + | centroid ligand, center=1 | |
</source> | </source> | ||
Revision as of 22:54, 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 | |
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