From: Axel Kohlmeyer (
Date: Mon Mar 31 2008 - 21:47:02 CDT

On Tue, 1 Apr 2008, Ben Chern wrote:

BC> I want to show some chemical properties, e.g. bond energy, but I would not
BC> wish to do that using script.


"stupid question(TM)":
how do you plan to get those properties "into" VMD?
and how do you plan to visualize them, i.e. how are
they supposed to look like?

before starting on a long and painful process where
you may at the end find out, that you won't get what
you planned, it may actually be a very good idea to
prototype what you want to do in scripting.

this is how many of the features in VMD started (and
quite a few still are).

BC> I have tried the CVS, but the error still exists.
BC> Would you please send me a tar file of the Windows build area for VMD?

also, have you considered using a linux/unix machine
for development? it is infinitely more convenient, the
way VMD "wants" to be built.

just a few (curious) thoughts,


BC> Thank you very much.

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.