GitHub - TylerBackman/Convox: Cheminformatics library for Clojure/Incanter

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Cheminformatics library for Clojure/Incanter

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Name		Name	Last commit message	Last commit date
Latest commit History 12 Commits
maven_repository/cdk/cdk		maven_repository/cdk/cdk
src/Convox		src/Convox
test/Convox/test		test/Convox/test
.gitignore		.gitignore
README		README
lgpl-3.0.txt		lgpl-3.0.txt
project.clj		project.clj

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# Convox

A Functional cheminformatics library for Clojure/Incanter

## Usage Example

# Tip: don't use this, it's very new and very broken.. but if you insist you can try this:

(use '(Convox core))
(smiles-to-sdf '"O=C2N(c1ncn(c1C(=O)N2C)C)C")
(sdf-to-smiles (smiles-to-sdf '"O=C2N(c1ncn(c1C(=O)N2C)C)C"))
(smiles-to-cml '"O=C2N(c1ncn(c1C(=O)N2C)C)C")
(cml-to-smiles (smiles-to-cml '"CCCC"))

## License

Copyright (C) 2013 Tyler William H Backman

Distributed under the GNU Lesser General Public License v3.0 (see lgpl-3.0.txt).