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On Wednesday 02 June 2004 14:50, timothy driscoll wrote:
> Miguel sent (2004.06.02 at 11.01a [+0200gmt]) :
> >>I am using "animate" to describe the visualisation, in a defined
> >>order, of a number of snapshots of molecular structure. The primary
> >>uses are conformational transitions, molecular dynamics and
> >>chemical reactions. Are there others?
> >
> >It is currently not implemented, but I plan to put in a restriction
> >that an 'animation' needs to contain the same number and the same
> >elements in the same order in every model.
> >
> >Q: Would this type of restriction conflict with any of these
> >applications?
> >
> >(The only thing I can think of is nuclear reactions ... where the
> >atom type would change :-)
>
> unless I misunderstand your suggestion, I would argue against such a
> restriction.  it is often helpful to animate the transition from bound
> to unbound states of an enzyme, for example, where the bound state
> structure contains ligand but the unbound state does not.

I see two options here:

1. make the ligand unvisible in the last half of the animation (or so...)
2. move the ligand away from the enzyme to get to clearly separated species

(or a combination of both)

Much easier than explicitely marking which atoms correspond in each frame...

Egon

- -- 
[EMAIL PROTECTED]
PhD on Molecular Representation in Chemometrics
Nijmegen University
http://www.cac.sci.kun.nl/people/egonw/
GPG: 1024D/D6336BA6

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