rdkit.Chem.rdSLNParse module

Module containing classes and functions for working with Sybyl line notation (SLN).

rdkit.Chem.rdSLNParse.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]])

rdkit.Chem.rdSLNParse.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]])