Difference between revisions of "Centroid"

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(See Also)
(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  = com.py
+
|filename  = centroid.py
 
|author    = [[User:Inchoate|Jason Vertrees]]
 
|author    = [[User:Inchoate|Jason Vertrees]]
 
|license  = BSD
 
|license  = BSD
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== Overview ==  
 
== Overview ==  
[[COM]] is a small script that returns the value of the center of mass of your selection.  It also can translate the object of that selection to the origin.
+
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">
COM (selection=PyMOLSelection), [center=boolean]
+
centroid (selection=PyMOLSelection), [center=boolean]
 
</source>
 
</source>
  
 
== Examples ==
 
== Examples ==
 
<source lang="python">
 
<source lang="python">
# get the COM of the polymer
+
# get the centroid of the polymer
import com
+
import centroid
 
fetch 4ins, async=0
 
fetch 4ins, async=0
COM polymer
+
centroid polymer
  
 
# move some 'ligand' to the origin
 
# move some 'ligand' to the origin
COM ligand, center=1
+
centroid ligand, center=1
 
</source>
 
</source>
  

Revision as of 18:54, 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

See Also

Center_Of_Mass