VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Jun 17 2008 - 18:34:28 CDT

On Tue, 17 Jun 2008, Nicolas Sapay wrote:

NS> Actually, I've got a similar problem. Ideally, I want to average volume
NS> slices over the x axis, then plot it with GNUplot, Mathematica, ... I can
NS> probably make it with a single slice extracted from the center of the
NS> system, though. Is there a tool to average/extract a slice in VMD? Or at
NS> least is there a doc explaining the DX format?

the DX format as recognized and produced by VMD is a subset
of the native format of OpenDX (formerly IBM Data Explorer).
please check out:

http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/dxplugin.html

BTW: OpenDX ( http://www.opendx.org/ ) is a great tool to
process and visualize (gridded) data. it has a bit of a steep
learning curve, but i've been able to do some rather nice
graphics with it.

cheers,
   axel.

NS>
NS> Nicolas
NS>
NS> 

-- 
=======================================================================
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
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If you make something idiot-proof, the universe creates a better idiot.