VMD-L Mailing List

From: Michel Espinoza-Fonseca (mef_at_ddt.biochem.umn.edu)
Date: Wed Apr 27 2005 - 18:02:31 CDT

Are you obtaining the PES and then visualize it using VMD? If your
answer is "yes", the you can calculate the PES using the program APBS

http://agave.wustl.edu/apbs/

Nathan Baker wrote a nice tcl script to visualize the PES using vmd. You
can find more information about the script here:

http://agave.wustl.edu/apbs/doc/html/tutorial/index.html

You can also load files from GRASP, to visualize the PES.

Hope it helps

Peace,
Michel

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf
Of Yongcheng Zhou
Sent: Wednesday, April 27, 2005 5:12 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: color the surface with electrostatic potential value

Dear all,

I was keeping read figures from journal papers which says that the
molecular surface was colored with the electrostatic potential values.
I do know that we can plot the isosurface of the potential field however
I really don't have any idea to color the molecular surface with
the potential value, in other words, to project the potential onto
the molecular surface.

Hope the problem is well posed and any hint is really appreciated.

-yc

MSU