VMD-L Mailing List

From: Jerry Parks (jmp17_at_duke.edu)
Date: Thu Oct 13 2005 - 10:21:32 CDT

How difficult would it be to generate a linear interpolation from one
conformation to another in internal coordinates and then write out the
coordinate snapshots? Such a script would be very useful to me. Sometimes
cartesian interpolations just don't make physical sense.

Thanks,
Jerry Parks

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Hi,
  If I understand correctly, what you're asking for is a script
that will linearly interpolate the atom coordinates between two
configurations of the same molecule? If I've misunderstood and
you actually have more than two sets of coordinates (a trajectory for example)
then you can use the Extensions->Visualization->Movie Maker tool to
make trajectory animations of your simulation. If you indeed are
asking for a script that does linear interpolation of atom coordinates,
I don't have such a script handy but it would be easy to write if
that's what you're actually after.

  John

On Wed, Oct 12, 2005 at 01:58:55PM -0400, Mingliang Tan wrote:
> Dear all,
>
> I would like to know how to show a movie from one static configuration
> (pdb file available) of a protein to another (pdb file available too),
> i.e., is there any way to have a movie showing the intermediate
> structures in VMD?
>
> Thank you very much in advance,
>
> Mingliang 

-- 
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