Centroid - Revision history

Cchem: 17 revisions

2016-10-17T00:06:59Z

17 revisions

Speleo3: see also centerofmass

2016-10-12T19:53:37Z

OsvaldoMartin: moved Com to Centroid

2015-09-14T22:59:30Z

moved Com to Centroid

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.

2015-09-14T22:54:55Z

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.

Tlinnet: /* See Also */

2012-01-15T15:02:43Z

Tlinnet at 21:33, 11 December 2011

2011-12-11T21:33:24Z

New page

{{Infobox script-repo
|type = module
|filename = com.py
|author = [[User:Inchoate|Jason Vertrees]]
|license = BSD
}}

== 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.

== Syntax ==
<source lang="python">
COM (selection=PyMOLSelection), [center=boolean]
</source>

== Examples ==
<source lang="python">
# get the COM of the polymer
import com
fetch 4ins, async=0
COM polymer

# move some 'ligand' to the origin
COM ligand, center=1
</source>

===See Also===

[[Center_Of_Mass]]

[[Category:Script_Library|CenterOfMass]]
[[Category:Structural_Biology_Scripts]]

Tlinnet: moved COM to Com: small letters

2011-12-09T11:50:14Z

moved COM to Com: small letters

Tlinnet at 11:49, 9 December 2011

2011-12-09T11:49:21Z

Tlinnet: /* Examples */

2011-12-09T11:40:56Z

Examples

Tlinnet: /* Examples */

2011-12-09T11:39:41Z

Examples

← Older revision		Revision as of 15:02, 15 January 2012
Line 31:		Line 31:
	[[Category:Script_Library\|CenterOfMass]]		[[Category:Script_Library\|CenterOfMass]]
	[[Category:Structural_Biology_Scripts]]		[[Category:Structural_Biology_Scripts]]
		+	[[Category:Pymol-script-repo]]

← Older revision	Revision as of 00:06, 17 October 2016
(No difference)

@@ Line 27: / Line 27: @@
 ===See Also===
-[[Center_Of_Mass]]
+* [[centerofmass]] (new command in PyMOL 1.7.2)
 [[Category:Script_Library|CenterOfMass]]
 [[Category:Structural_Biology_Scripts]]
 [[Category:Pymol-script-repo]]

← Older revision	Revision as of 22:59, 14 September 2015
(No difference)

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

← Older revision	Revision as of 11:50, 9 December 2011
(No difference)