other MMTK-like languages/extensions/classes

Konrad Hinsen hinsen@ibs.ibs.fr
Thu, 10 Jul 1997 13:52:22 +0200


> I want to point out some of the other work being done in developing
> a language framework for molecular modeling being done be some
> other places.

Thanks for the overview! If anyone has first-hand experience with
any of the packages mentioned, I'd like to hear about it.

> 1) Someone here pointed out something called the Molecular Operating
> Environment (MOE) from the Chemical Computing Group, Inc. in Montreal,
> Canada (http://www.chemcomp.com/).  They developed their own language
> called SVL for doing work in chemical structures (see http://www.chemcomp.com/feature/svl.htm).

Another package based on a proprietary extension language is
Prometheus from Proteus Molecular Design Ltd. in England (see
http://www.proteus.co.uk/).

> The code that is present is okay, but Python with the Numeric
> extensions looks better, and without Python's versatility (no
> classes, no associative arrays, no ...).

Plus of course Python's existing code base! I see little point in
inventing proprietary languages for such projects. Neither, for that
matter, in proprietary research software. There is no better way to
encourage testing and external development than making code freely
available. If you want to make money from it, offer consulting and
adaption services.

> 3) As one last one, that I don't have a URL for, is the Python-based
> work done at UCSF for Chimera, their next generation structure
> viewer/analysis program.  Perhaps one of them subscribes to this
> list and can pass a pointer along?  I've seen a demo of it and it
> looked powerful.

I have one reference to a collection of draft papers:
    http://www.cgl.ucsf.edu/home/chimera/

Konrad.
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