Loading...
randomRotation OpenBabel::matrix3x3
RandomRotorSearch OpenBabel::OBForceField
RandomRotorSearchInitialize OpenBabel::OBForceField
RandomRotorSearchNextConformer OpenBabel::OBForceField
randomUnitVector OpenBabel::vector3
Read
OpenBabel::FptIndex::Read() OpenBabel::OBScoreGrid::Read() OpenBabel::OBConversion::Read()
read_rules OpenBabel::patty
ReadChemObject
OpenBabel::OBFormat::ReadChemObject() OpenBabel::OBMoleculeFormat::ReadChemObject() OpenBabel::XMLMoleculeFormat::ReadChemObject()
ReadChemObjectImpl OpenBabel::OBMoleculeFormat
reader OpenBabel::XMLBaseFormat
ReadFile OpenBabel::OBConversion
ReadHeader OpenBabel::FptIndex
ReadIndex
OpenBabel::FptIndex::ReadIndex() OpenBabel::FastSearch::ReadIndex()
ReadIndexFile OpenBabel::FastSearch
ReadMolecule
OpenBabel::OBFormat::ReadMolecule() OpenBabel::XMLMoleculeFormat::ReadMolecule()
ReadNameIndex OpenBabel::OBMoleculeFormat
ReadStream OpenBabel::XMLConversion
ReadString OpenBabel::OBConversion
ReadStringFromFilter OpenBabel::OBDescriptor
ReadXML OpenBabel::XMLConversion
RegisterFormat
OpenBabel::OBFormat::RegisterFormat() OpenBabel::OBConversion::RegisterFormat()
RegisterOptionParam OpenBabel::OBConversion
RegisterSpaceGroup OpenBabel::SpaceGroup
RegisterXMLFormat OpenBabel::XMLConversion
RelativelyPrime OpenBabel
RemoveAtom OpenBabel::OBResidue
RemoveOption OpenBabel::OBConversion
RemoveRedundant OpenBabel::OBRingSearch
RemoveSymTorsionValues OpenBabel::OBRotor
RemoveSymVals OpenBabel::OBRotorList
RemoveWhiteSpaceUnderscore OpenBabel
removeZeroeth OpenBabel
RenumberAtoms
OpenBabel::OBMol::RenumberAtoms(std::vector< OBAtom * > &) OpenBabel::OBMol::RenumberAtoms(std::vector< int >)
ReportNumberConverted OpenBabel::OBConversion
ReserveAtoms OpenBabel::OBMol
Resize OpenBabel::OBBitVec
ResizeWords OpenBabel::OBBitVec
restoreDoubleBonds OpenBabel
RestoreLocale OpenBabel::OBLocale
RestrictedMatch
OpenBabel::OBSmartsPattern::RestrictedMatch(OBMol &mol, std::vector< std::pair< int, int > > &pairs, bool single=false) OpenBabel::OBSmartsPattern::RestrictedMatch(OBMol &mol, OBBitVec &bv, bool single=false)
RevertToAliasForm OpenBabel::AliasData
Reweight OpenBabel
rint OpenBabel
RotAboutAxisByAngle OpenBabel::matrix3x3
Rotate
OpenBabel::OBMol::Rotate(const double u[3][3]) OpenBabel::OBMol::Rotate(const double m[9]) OpenBabel::OBMol::Rotate(const double m[9], int nconf)
rotate_coords
OpenBabel::rotate_coords(double *, double m[3][3], unsigned) OpenBabel::rotate_coords(double *c, double m[3][3], unsigned int size)
Searching...
No Matches