On Fri, Mar 28, 2008 at 9:30 PM, Bob Hanson <[EMAIL PROTECTED]> wrote:
> It's a separate thread, so you can do odd things, like rotate the model
>  while it is minimizing.  --- or even set it spinning, I think! I'm
>  thinking what we need is some sort of a minimization callback so that
>  the user can get messages as the model updates. Then we also need to be
>  setting variables like

Oh yes, that's *very* interesting indeed. Remember those WeTChE (not
sure about the casing) from Hens Borkent [1]?
Where there is a rotating of a bond, and an energy plot? Right now,
that is using precalculated structures... actually, in Hens' editor
mode, you can have those 'movies' created on the fly [2].

But it would be really nice, if reproducing these
energy-vs-torsionAngle plots on the fly with Jmol/JavaScript...

Egon

1.http://wetche.cmbi.ru.nl/organic/nalkanesconf/ethane/jmindex.html
2.http://wetche.cmbi.ru.nl/cgi-bin/jmoledit.pl?fname=/usr/local/home2/wetche/organic/datfiles/ethane36.dat

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