[PyMOL] Center-of-Mass

[Sean L. <mag...@ho...>]

Hi All,

I have re-written the center-of-mass script found on the Wiki (which was actually only calculating center-of-geometry).  This script provides three improvements to the previous script: 1) The real center-of-mass can be calculated based on a table of atomic masses, 2) pseudoatoms are used to represent the center-of-mass which, unlike CGO spheres, can be used to measure distances, angles, dihedral etc, 3) The COM/COG calculator is written as an independent function which can be called as "get_com".

Hope you find this useful.

Sean
 		 	   		  
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