[extropy-chat] Why no assembler design?

[Eugen Leitl]

On Mon, Nov 17, 2003 at 12:58:50PM +0100, Alfio Puglisi wrote:

> Speaking as someone who knows more or less nothing about the subject, and
> has some vague imagery about lots of painted little balls stuck together,
> but knows lots of C++ and other languages, I'm asking: what is your
> estimate about the manpower and knowledge required to get an useful tool?

The requirements are not extreme. A single long-term motivated individual
would make a difference.

What would be nice to have is putting support for Brenner's potential

http://www.openchem.org/brenner/

into MMTK http://starship.python.net/crew/hinsen/MMTK/ and/or PyMol
http://pymol.sourceforge.net/

A (more complicated) alternative to this would be VMD/NAMD: http://www.ks.uiuc.edu/

The design target is something like open-source Yasara for dry nanosystems: 
http://www.yasara.com/

> Does one need to be a chemistry expert, or at least interface with one?
> Are there standard algorithms and/or formulas that can do the job?

Yes, I believe so. At least enough to get us started.

-- Eugen* Leitl <a href="http://leitl.org">leitl</a>
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ICBM: 48.07078, 11.61144 http://www.leitl.org
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