CCL: smi23d - web form and web services

 Sent to CCL by: Rajarshi Guha [rguha~!]
We recently announced the availability of smi23d, a 3D coordinate generation tool. It is provided as C source code which needs to be compiled.
We have also provided a web form, which allows you to paste SMILES strings or link to a URL representing a SMILES file and get back the 3D coordinates as an SD file. There is a limit of 200 compounds.
The web form is available at threed/d3
It is based on an underlying web service. The WSDL for the web service is and the Javadocs are at threed/api/
 Example code to access the web service using Python and SOAPpy is
 import SOAPpy
 if __name__ == '__main__':
s = SOAPpy.WSDL.Proxy(' Coord3D?wsdl')
     smiles = 'CCC'
     print s.get3DStructure(smiles,1)
 Rajarshi Guha  <rguha[]>
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