VMD-L Mailing List

From: Mikolai Fajer (mfajer_at_gmail.com)
Date: Mon Jun 20 2005 - 12:44:26 CDT

I am trying to overlay two similar structures and compare their
orbitals from Gaussian cube files. The measure fit command calculates
the 4x4 transformation matrix, but the atomselect's move command only
moves the atom's position and leaves the volumetric information for
the isosurfaces unchanged. Does anyone have a suggestion on how to
rotate both the molecule and the volumetric data within VMD? Thanks. 

-- 
     -Mikolai Fajer-