VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Wed Mar 19 2008 - 11:48:49 CDT

On Wed, 19 Mar 2008, Jennifer Williams wrote:

jennifer,

JW> Does anyone know if VMD can calculate the Radial (i.e cylindrical) density
JW> from a DL_POLY HISTORY file (or a pdb file). Are there any plugins available
JW> for this?

due to the plugin infrastructure for reading molecular file
formats, the fact wheter you can compute something does
very rarely depend on the file format (not all formats
provide all information).

however, i am not aware of a ready-to-use plugin that
can do what you want. it should be fairly trivial to
implement this with the available scripting interface.
please have a look at the scripting part of the user's
guide and the available tutorials and example scripts
in the VMD script library. that should get you started.

cheers,
   axel.

JW>
JW> Thanks
JW>
JW>
JW>
JW> 

-- 
=======================================================================
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.