Safe Haskell | Safe |
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Language | Haskell2010 |
Module Radium.Formats.Smiles Copyright : Copyright (C) 2014 Krzysztof Langner License : BSD3
Maintainer : Krzysztof Langner klangner@gmail.com Stability : alpha Portability : portable
SMILES is popular format for describing the structure of chemical molecules. http:/en.wikipedia.orgwiki/Simplified_molecular-input_line-entry_system
Documentation
This model describes molecules with valence bounds
readSmiles :: String -> Smiles Source
Parses textual representation
writeSmiles :: Smiles -> String Source
Write SMILES to string