VMD-L Mailing List

From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Thu Feb 15 2007 - 15:27:53 CST

When using
measure minmax [atomselect top "index 0"]
it returns the coordinates of the atom's center, ie {0 0 0} {0 0 0}
Is there a way to calculate minmax including the atom's VdW volume? I
mean in a way that for a 1 A radius atom it would reply something like
{-1 -1 -1} {1 1 1}
I would say that I am not interested in asking one atom's volume, but I
would like to know the volume of a whole molecule.

Regards
Cesar