VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Jun 13 2003 - 09:53:49 CDT

Dear Dallas,
  I assume that by 'contours' you are referring to isosurfaces of
volumetric data such as electron density maps, electron orbitals,
potential maps, etc? If that's what you are referring to, then yes,
VMD can load and display such data sets. The new version of VMD includes
readers for 4 differenet electron density map formats, and a reader for
Gaussian 'cube' files. You can also load volumetric data via Tcl scripting
if you have some other data format that we don't have a reader for yet.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jun 12, 2003 at 08:16:09AM +1000, Dallas Warren wrote:
> John, just wondering if VMD supports contours? There is a feature in
> gOpenMol where you can load a contour data file around a molecule. This
> can be used for spacial density functions, and I suspect electron density.
>
> Catch ya,
>
> Dr. Dallas Warren
> Research Fellow
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren_at_vcp.monash.edu.au
> +61 3 9903 9083
> --------------------------------------------------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a
> nail. 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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