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Module containing classes and functions for working with Sybyl line notation (SLN).
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__package__ = None hash(x) |
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MolFromQuerySLN( (str)SLN [, (bool)mergeHs=True [, (bool)debugParser=False]]) -> Mol : Construct a query molecule from an SLN string. ARGUMENTS: - SLN: the SLN string - mergeHs: (optional) toggles the merging of explicit Hs in the query into the attached heavy atoms. Defaults to False. RETURNS: a Mol object suitable for using in substructure queries, None on failure. C++ signature : RDKit::ROMol* MolFromQuerySLN(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=True [,bool=False]]) |
MolFromSLN( (str)SLN [, (bool)sanitize=True [, (bool)debugParser=False]]) -> Mol : Construct a molecule from an SLN string. ARGUMENTS: - SLN: the SLN string - sanitize: (optional) toggles sanitization of the molecule. Defaults to True. RETURNS: a Mol object, None on failure. NOTE: the SLN should not contain query information or properties. To build a query from SLN, use MolFromQuerySLN. C++ signature : RDKit::ROMol* MolFromSLN(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > [,bool=True [,bool=False]]) |
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