"potSel" Color Surface by Potential 1.0
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REQUIREMENTS: VMD Version 1.6 or greater
DESCRIPTION:
Uses Delphi to show e-static potl on molecular surface
PROCEDURES:
potSurf
EXAMPLE USAGE:
source potsurf.tcl
mol pdbload 1bnf
set sel [atomselect top "not water"]
potSurf $sel 63 2 80
A new molexcule is loaded, an msms surface colored by
potential at atomic positions
red = neagative, white = neutral, blue = positive (Grasp style)
To adjust color range, change msms-> vdw rep
adjust color min, midpoint in Color menu,
then change that rep back, vdw->msms
Note: Super-hacky, charge and radius problems still pending
Also, requires Delphi installation, not ubiquitous.
DOWNLOAD THE FILE:
potsurf.tcl
AUTHOR:
Barry Isralewitz (barry@ks.uiuc.edu)