rdkit.Chem.rdMMPA module

Module containing a C++ implementation of code for doing MMPA

rdkit.Chem.rdMMPA.FragmentMol((Mol)mol[, (int)maxCuts=3[, (int)maxCutBonds=20[, (str)pattern='[#6+0;!$(*=, #[!#6])]!@!=!#[*]'[, (bool)resultsAsMols=True]]]]) → tuple :

Does the fragmentation necessary for an MMPA analysis

C++ signature :

boost::python::tuple FragmentMol(RDKit::ROMol [,unsigned int=3 [,unsigned int=20 [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >=’[#6+0;!$(=,#[!#6])]!@!=!#[]’ [,bool=True]]]])

FragmentMol( (Mol)mol, (int)minCuts, (int)maxCuts, (int)maxCutBonds [, (str)pattern=’[#6+0;!$(=,#[!#6])]!@!=!#[]’ [, (bool)resultsAsMols=True]]) -> tuple :

Does the fragmentation necessary for an MMPA analysis

C++ signature :

boost::python::tuple FragmentMol(RDKit::ROMol,unsigned int,unsigned int,unsigned int [,std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >=’[#6+0;!$(=,#[!#6])]!@!=!#[]’ [,bool=True]])

FragmentMol( (Mol)mol, (AtomPairsParameters)bondsToCut [, (int)minCuts=1 [, (int)maxCuts=3 [, (bool)resultsAsMols=True]]]) -> tuple :

Does the fragmentation necessary for an MMPA analysis

C++ signature :

boost::python::tuple FragmentMol(RDKit::ROMol,boost::python::api::object [,unsigned int=1 [,unsigned int=3 [,bool=True]]])