On Mar 7, 2007, at 4:19 AM, Angel Herraez wrote:
I'm afraid I missed the original message, but this sound interesting.
Can anyone explain what a DX file is?
This was a request of mine - Here's the original message:
Hi Bob,
I'd like to color a surface in Jmol by MEP data that were generated
using PyMol with a plugin. I just learned that the PyMol plugin
generates a data file for the MEP that is in a .dx format. The part
of .dx that is used for this purpose is described here:
http://apbs.sourceforge.net/doc/user-guide/index.html#opendx-format
Bottom line is that we can now take molecular electrostatic potential
data that were generated in PyMol (requires the APBS plugin for
PyMOL) and use them to color a surface generated in Jmol. Pretty
neat, huh!
Here's how to find the .dx file PyMOL creates, according to Michael
Lerner, the author of the APBS plugin for PyMOL:
> If the work is done
> on a Linux or OS X system, it will be in whatever directory the
author
> started PyMOL from. On a Windows system, I think it will be in
> C:\Program Files\DeLano Scientific\PyMOL, but it could easily be
> somewhere else.
Frieda
///////////////////////////////////////////
Frieda Reichsman, PhD
Molecules in Motion
Interactive Molecular Structures
http://www.moleculesinmotion.com
///////////////////////////////////////////
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