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Package CHEM :: Package CombiCDB :: Module ReactionFormatter
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Module ReactionFormatter



Classes [hide private]
  RDFReader
Reader for RDF reaction files.
  ReactionCanonizer
Given a reaction representation, encoded through one of OpenEye's standard parsers (SMILES for SMIRKS, SDF for RDF), produce and canonize a SMIRKS string output for each.
Functions [hide private]
 
main(argv)
Main method, callable from command line
 
reactionmolistream(inputFilename)
Simple function to mimic oemolistream, but checks for possibility of RDF input, then used specialized RDF reader
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