VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jan 09 2006 - 11:08:54 CST

Hi,
  Essentially you'll need to change the code so that you loop over
several dipole moment vectors, drawing each of them using the same
"vmd_draw_vector" routine that the script already uses.
As-written, the script just draws one at a time. If you've got the
dipole moment data in a file, it should be easy to read in the file
and display the data by looping over the vectors and calling the
vmd_draw_vector routine. The script in Axel's tutorial is fancier
because it even works with trajectory data.

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Jan 03, 2006 at 06:39:32PM -0500, jz7_at_duke.edu wrote:
> I found the script for drawing dipole moment in VMD in the following
> website:
>
> http://www.theochem.ruhr-uni-bochum.de/~axel.kohlmeyer/cpmd-vmd/part3.html
>
> However, the script only works for drawing one dipole moment. If I want to
> draw two dipole moments (different helices in the protein), how should I
> modified the script? I have tried adding one more part for reading another
> set of dipole data and defining selection to calculate the center of mass.
> But it ends up with overwriting the first dipole moment.
>
> Thanks a lot for the help!
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078