From chemistry-request -8 at 8- ccl.net Wed Jul  6 16:14:26 2005
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From: Egon Willighagen <e.willighagen:at:science.ru.nl>
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On Wednesday 6 July 2005 20:28, Andrew D. Fant wrote:
> Good afternoon all, and thanks to everyone who responded to my previous
> questions about openbabel and descriptor code.  I have one other
> question about software that has come up.

The Chemistry Development Kit (http://cdk.sf.net/) can do this and is free to 
download. The involved Java class is ModelBuilder3D [1]. A live demo is 
available from:

http://www.chemistry-development-kit.org/

Just enter a SMILES or upload a molecular file, and a 3D model will be 
displayed using Jmol [2].

Egon

1. 
http://cdk.sf.net/apicvs/org/openscience/cdk/modeling/builder3d/ModelBuilder3D.html
2. http://www.jmol.org/

-- 
e.willighagen:at:science.ru.nl
PhD student on Molecular Representation in Chemometrics
Radboud University Nijmegen
http://www.cac.science.ru.nl/people/egonw/
GPG: 1024D/D6336BA6