From chemistry-request _-at-_)ccl.net Tue Jun 14 12:29:32 2005
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Date: Tue, 14 Jun 2005 16:35:29 +0100
From: Nathan Haigh <n.haigh)at(sheffield.ac.uk>
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Organization: University of Sheffield
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Subject: cactvs csed script request
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Hi,

im a bioinformatician working on a metabolomics project. I'm trying to 
get to grips with representing moleules as smiles for use in a database. 
I want to be able to convert smiles to unique smiles and have downloaded 
and installed cactvs.

Does anyone have a script that can do this conversion from the command line?

Thanks
Nathan

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