[MMTK] Swig interface to libmopac and/or reading sd/mol files

Andrew D. Fant fant at pobox.com
Thu Mar 30 23:29:31 CEST 2006


Two more questions,
    Has anyone here ever tried to generate an interface between libmopac ( the
shared library translation of mopac7 on sourceforge) and MMTK?  In principle, it
shouldn't be too hard to do with swig (or a direct interface with f2py to the
source code).

    Also, has anyone ever written anything that can read sd or mol files into
MMTK?  The lastest versions of openbabel have experimental perl and python
interfaces exposed, although not part of the default build yet. If there's
nothing already floating around out there, this might be a relatively easy way
to cope with small molecules.

Thanks,
	Andy

-- 
Andrew Fant    | And when the night is cloudy    | This space to let
Molecular Geek | There is still a light          |----------------------
fant at pobox.com | That shines on me               | Disclaimer:  I don't
Boston, MA     | Shine until tomorrow, Let it be | even speak for myself




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