VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Nov 21 2008 - 05:01:21 CST

On Fri, 21 Nov 2008, Vlad Cojocaru wrote:

VC> Dear VMD users,

dear vlad,

VC> I was wondering if there is a way to view only parts of the volumetric data
VC> loaded into a molecule. For instance, I would like to see the electrostatic

not sure whether there some way to do this with the current volume
data manipulation tools from within VMD. they have become quite
powerful recently.

i've been using a small tool written in fortran to manipulate gaussian
cube files in a similar way (only that i wanted to keep data close to
atoms, instead of removing it). i can send it to you, if you feel like
hacking it for your purposes...

cheers,
    axel.

VC> potential by Isosurfaces excluding the grid points that are closer than 3 A
VC> from the protein.
VC>
VC> Vlad
VC>
VC> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.