From: B.D Allen (B.D.Allen_at_newcastle.ac.uk)
Date: Mon May 24 2004 - 10:09:22 CDT

Hi all,
  I've just started ising VMD and have a couple of questions.
   Firstly, is it possible to create a mapped isosurface?(preferably
animated during a trajectory) For example, I want to display the
electrostatic potential or spin density mapped onto an electron density
isosurface. I have written scripts to load up multiple gaussian cube
files to display, for example orbitals during a trajectory, but can't
figure out a way to do the mapping. Has anyone ever tried this?
  Secondly, when I try and create a 'VolumeSlice' representation of one of
my cube files, nothing appears on the screen. Is there a special colour
to select? In case it's a bug, I running VMD 1.8.2 on Windows 2000.
  Finally, (and this may be a TCL scoping question) when I trace a
variable (in my case vm_frame) from within a script, it doesn't
recognize the trace from outside of the script (i.e. when the script
returns to the command prompt). I have to trace the variable manually at
the command prompt for the effect to be global. Is there any way around
this?

Sorry for the long questions, and thanks in advance

Ben

Ben Allen
Molecular Photonics Laboratory
School of Natural Sciences
Bedson Building
University Of Newcastle Upon Tyne
Newcastle Upon Tyne
NE1 7RU

+44 (0)191 2226485