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On Monday 23 February 2004 10:40, Miguel Howard wrote:
> This question relates to multi-frame .xyz files (often used for
> animations) and .pdb MODELs (usually used to hold different NMR models)
>
> I wanted to reuse some of the model data structures and model expression
> syntax to apply to the multicell. Jan posted several good reasons why that
> will not work.
>
> So, now I have another proposal to reuse some of that 'MODEL'
> infrastructure.
>
> .xyz files can support multiple multiple models/frames. I know this is
> used for animations. I do not know if it has any other use.

Vibrations. These are animated by creating a multi frame set.

> It seems to me that these multiple frames in a .xyz file are closely
> related to the MODELs in a .pdb file.
>
> Q: Is there any reason why we can't support multiple frames in a .xyz file
> in exactly the same way that we support multiple MODELs in a .pdb file?

I don't directly see a problem... maybe we do need some marker so that Jmol 
knowns when a multimodel is a set of models, or an animation... the latter 
one can interpolate, but the former not...

> Chime has some support for animations ... it has a play command ... and I
> assume that it will play .xyz files.
>
> Q: How does Chime address the issue of multiple 'frames' in a .xyz file?
>
> Q: Does Chime have extensions to the scripting language to allow
> manipulation of particular frames?

Have a browse at:

http://www.cmbi.kun.nl/wetche/organic/subjmenu.html

There Chime is used for animations...

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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