VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Aug 30 2004 - 11:18:25 CDT

Vlad,
  The short answers are that VMD doesn't have a plugin for reading
Gaussian03 output yet, and we aren't planning on adding editing features
to VMD in the short-term future, though you might see more of this coming
in subsequent releases. You can add and delete bonds in VMD interactively,
but there isn't a way to add/delete atoms currently, other than writing
out a new structure file from a given atom selection and reloading that
as a new structure, for example. For structure creation, you can use
psfgen, but if you're looking for a graphical molecule builder, that's
not something that VMD does yet.

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Aug 30, 2004 at 06:03:41PM +0200, Vlad Cojocaru wrote:
> Dear vmd users,
> I have posted the message below some time ago. Since I didnt get any
> replies I thought maybe the message never got to the list (it did not
> reach me). I would appreciate an answer.
>
> "Dear vmd developers,
> I have problems when loading Gaussian 2003 output into VMD. The vmd
> does not load anything basically. Does anyone have any idea how can I
> make vmd to read Gaussian03 output?
> And second, did you consider adding editing features to VMD? I would
> find it very useful to be able to delete and build atoms, bonds whithin
> VMD".
> Thank you very much
> vlad
>
> --
> Vlad Cojocaru
> Max Planck Institute for Biophysical Chemistry
> Department: 060
> Am Fassberg 11, 37077 Goettingen, Germany
> tel: ++49-551-201.1327
> e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
> home tel: ++49-551-9963204
>
> 

-- 
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