VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Dec 11 2003 - 10:12:35 CST
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Dear Manuel,
At present VMD doesn't gracefully deal with trajectories containing
varying numbers of atoms. You could load each timestep as a separate
molecule and then animate them by toggling the molecules on/off with
a script, but this isn't nearly as nice as doing it the normal way.
If you try the "padding" trick you describe, you'll have to make sure
that the order of the atoms remains consistent from timestep to timestep.
Let us know if you need help getting one of these two techniques working.
Thanks,
John Stone
vmd_at_ks.uiuc.edu
On Thu, Dec 11, 2003 at 12:14:04PM +0100, Manuel Melle-Franco wrote:
> Hi everyone,
>
> I am pretty new to VMD, hope it is not an stupid question:
>
> We are interested in visualizing a trajectory with different number of atoms
> per frame (xyz format). Is there a way to do it other than padding each
> frame in the file to the maximum number of atoms?
>
> Regards,
>
> Manuel
>
>
>
>
> ________________________________________________________
> I would believe only in a god who could dance. - Nietzsche -
> ________________________________________________________
>
> Manuel Melle-Franco
> Dip. di Chimica "G. Ciamician"
> Universita Di Bologna
> via Selmi 2, I-40126
> Bologna, Italy
> ---------------------------------------------------------
> Fax : +39-051-2099456
> Phone : +39-051-2099596
> ---------------------------------------------------------
>
-- 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
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