Bernard Murray, PhD
spam at 127.0.0.1
Wed Nov 17 20:56:35 EST 1999
In article <80u2g7$l29$1 at nnrp1.deja.com>, mmueller1675 at my-deja.com wrote:
> Hi all,
> I'm looking for a program (MS-DOS/Windows)
> for converting
> 2D-chemical-structures (molfile) into 3D-structures. Free softwaer would
> be nice, however not neccessary.
Learn how to use SMILES strings and then play with CORINA
I have used this for several structures and later optimisation
with MOPAC suggested the results are pretty good.
Kudos to the Gasteiger lab!
Bernard P. Murray, PhD
bpmurray at cgl . ucsf . edu
Department of Cellular & Molecular Pharmacology, UCSF
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