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Centerofmass - Revision history
2024-03-28T16:48:34Z
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Cchem: 1 revision
2016-10-17T00:06:56Z
<p>1 revision</p>
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Cchem
https://wiki.pymol.org/index.php?title=Centerofmass&diff=13633&oldid=prev
Speleo3: created
2016-10-12T19:42:05Z
<p>created</p>
<p><b>New page</b></p><div>The [[centerofmass]] command calculates the center of mass for an atom selection. It considers atom mass and occupancy.<br />
<br />
''New in PyMOL 1.7.2. See the [[center_of_mass]] script for older PyMOL versions.''<br />
<br />
== Usage ==<br />
<br />
centerofmass [ selection [, state ]]<br />
<br />
== Arguments ==<br />
<br />
* '''selection''' = str: atom selection {default: all}<br />
* '''state''' = int: object state, -1 for current state, 0 for all states {default: -1}<br />
<br />
== Example ==<br />
<br />
PyMOL> fetch 1ubq, async=0<br />
PyMOL> centerofmass<br />
Center of Mass: [ 30.004, 28.522, 14.701]<br />
<br />
== Python API ==<br />
<br />
<syntaxhighlight lang="python" inline>cmd.centerofmass()</syntaxhighlight><br />
returns a list of 3 floats.<br />
<br />
== See Also ==<br />
<br />
* [[get_extent]]<br />
* [[center of mass]] (script)<br />
* [[COM]] (script)<br />
<br />
[[Category:Commands]]</div>
Speleo3