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wrong number of reactants and catalysts .ket file from ketcher 2.5 python indigo 1.83
from indigo import Indigo indigo_ins = Indigo() r = indigo_ins.loadReactionFromFile(r"D:\reaction.ket") reactants = r.iterateReactants() for reactant in reactants: print(reactant.smiles()) if __name__ == '__main__': pass
Output:
C1CCCCCCC1 CC(=O)[O-] [Na+]
Expected:
C1CCCCCCC1 CC(=O)[O-].[Na+]
The text was updated successfully, but these errors were encountered:
reaction.zip
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wrong number of reactants and catalysts
.ket file from ketcher 2.5
python indigo 1.83
Output:
Expected:
The text was updated successfully, but these errors were encountered: