[Rdkit-discuss] RuntimeError creating MolBlock
Open-Source Cheminformatics and Machine Learning
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From: Noel O'B. <bao...@gm...> - 2008-04-22 12:25:29
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I've done it again :-/ >>> print Chem.MolToMolBlock(Chem.MolFromSmiles("CCCC")) Traceback (most recent call last): File "<stdin>", line 1, in <module> RuntimeError: Pre-condition Violation Noel |