VMD-L Mailing List

From: paul d jones (pdjones_at_ucdavis.edu)
Date: Thu Aug 18 2005 - 07:54:31 CDT

Hi!

I am currently using cache workstation pro (by fujitsu) to look at an
enzyme ligand complex. This particular package has a nice feature where
it will show the surface of the active site near the ligand, without
showing the complete enzyme surface. This is nice because it allows me
to see if I need to place a methyl group (for instance) somewhere on the
ligand to increase it hydrophobic interactions (as an example). The
problem is that there is no way to export this surface to an external
renderer for generation of publication quality images (< 300 DPI).

My question is, can VMD be used to construct a similar surface from a
PDB file? If so, could someone give me a link to a tutorial or provide a
basic outline of how I could do this?

If VMD cannot do this, could I make a feature request? :-)

Thanks a bunch.

Paul 

-- 
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Paul D. Jones, Ph.D.
NIH Postdoctoral Fellow
Dept. of Entomology
University of California, Davis
(530) 754.8884
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