Loading...
factor
OpenBabel::OBFFConstraint
FindAutomorphisms
OpenBabel::FindAutomorphisms(OBMol *mol, std::vector< OBIsomorphismMapper::Mapping > &aut, const std::vector< unsigned int > &symmetry_classes, const OBBitVec &mask=OBBitVec(), std::size_t maxMemory=3000000)
OpenBabel::FindAutomorphisms(OBMol *mol, std::vector< OBIsomorphismMapper::Mapping > &aut, const OBBitVec &mask=OBBitVec(), std::size_t maxMemory=3000000)
OpenBabel::FindAutomorphisms(OBIsomorphismMapper::Functor &functor, OBMol *mol, const std::vector< unsigned int > &symmetry_classes, const OBBitVec &mask=OBBitVec())
OpenBabel::FindAutomorphisms(OBMol *mol, Automorphisms &maps, const OBBitVec &mask, std::size_t maxMemory)
OpenBabel::FindAutomorphisms(OBMol *mol, Automorphisms &maps, const std::vector< unsigned int > &symClasses, const OBBitVec &mask, std::size_t maxMemory)
FOR
OpenBabel::OBResidueIndex
force_a
OpenBabel::OBFFCalculation2
force_b
OpenBabel::OBFFCalculation2
force_c
OpenBabel::OBFFCalculation3
force_d
OpenBabel::OBFFCalculation4
fpid
OpenBabel::FptIndexHeader
fragmentSearch
OpenBabel::fragmentSearch(OBMol *query, OBMol *structure)
OpenBabel::fragmentSearch(const std::vector< int > aPositionQuery, const std::vector< int > iA1Query, const std::vector< int > iA2Query, const std::vector< int > bondTypesQuery, const std::vector< int > aPositionStructure, const std::vector< int > iA1Structure, const std::vector< int > iA2Structure, const std::vector< int > bondTypesStructure, int nAtomsQuery, int nBondsQuery, int nAtomsStructure, int nBondsStructure)
from
OpenBabel::OBTetrahedralStereo::Config
Functor
OpenBabel::OBIsomorphismMapper
Searching...
No Matches