API for girke-lab/ChemmineOB-release
R interface to a subset of OpenBabel functionalities

Global functions
$,_p_OpenBabel__AliasData-method Man page Man page
$,_p_OpenBabel__DoubleType-method Man page
$,_p_OpenBabel__FastSearch-method Man page
$,_p_OpenBabel__FastSearchIndexer-method Man page
$,_p_OpenBabel__FptIndexHeader-method Man page
$,_p_OpenBabel__OBAngle-method Man page
$,_p_OpenBabel__OBAngleData-method Man page
$,_p_OpenBabel__OBAromaticTyper-method Man page
$,_p_OpenBabel__OBAtom-method Man page
$,_p_OpenBabel__OBAtomAtomIter-method Man page
$,_p_OpenBabel__OBAtomBondIter-method Man page
$,_p_OpenBabel__OBAtomClassData-method Man page
$,_p_OpenBabel__OBAtomTyper-method Man page
$,_p_OpenBabel__OBBase-method Man page
$,_p_OpenBabel__OBBitVec-method Man page
$,_p_OpenBabel__OBBond-method Man page
$,_p_OpenBabel__OBBuilder-method Man page
$,_p_OpenBabel__OBChainsParser-method Man page
$,_p_OpenBabel__OBChiralData-method Man page
$,_p_OpenBabel__OBCommentData-method Man page
$,_p_OpenBabel__OBConformerData-method Man page
$,_p_OpenBabel__OBConversion-method Man page
$,_p_OpenBabel__OBDOSData-method Man page
$,_p_OpenBabel__OBDescriptor-method Man page
$,_p_OpenBabel__OBElectronicTransitionData-method Man page
$,_p_OpenBabel__OBElement-method Man page
$,_p_OpenBabel__OBElementTable-method Man page
$,_p_OpenBabel__OBError-method Man page
$,_p_OpenBabel__OBExternalBond-method Man page
$,_p_OpenBabel__OBExternalBondData-method Man page
$,_p_OpenBabel__OBFFCalculation2-method Man page
$,_p_OpenBabel__OBFFCalculation3-method Man page
$,_p_OpenBabel__OBFFCalculation4-method Man page
$,_p_OpenBabel__OBFFConstraint-method Man page
$,_p_OpenBabel__OBFFConstraints-method Man page
$,_p_OpenBabel__OBFFParameter-method Man page
$,_p_OpenBabel__OBFingerprint-method Man page
$,_p_OpenBabel__OBForceField-method Man page
$,_p_OpenBabel__OBFormat-method Man page
$,_p_OpenBabel__OBGenericData-method Man page
$,_p_OpenBabel__OBGlobalDataBase-method Man page
$,_p_OpenBabel__OBGridData-method Man page
$,_p_OpenBabel__OBInternalCoord-method Man page
$,_p_OpenBabel__OBIsotopeTable-method Man page
$,_p_OpenBabel__OBMatrixData-method Man page
$,_p_OpenBabel__OBMessageHandler-method Man page
$,_p_OpenBabel__OBMol-method Man page
$,_p_OpenBabel__OBMolAngleIter-method Man page
$,_p_OpenBabel__OBMolAtomBFSIter-method Man page
$,_p_OpenBabel__OBMolAtomDFSIter-method Man page
$,_p_OpenBabel__OBMolAtomIter-method Man page
$,_p_OpenBabel__OBMolBondBFSIter-method Man page
$,_p_OpenBabel__OBMolBondIter-method Man page
$,_p_OpenBabel__OBMolPairIter-method Man page
$,_p_OpenBabel__OBMolRingIter-method Man page
$,_p_OpenBabel__OBMolTorsionIter-method Man page
$,_p_OpenBabel__OBOp-method Man page
$,_p_OpenBabel__OBOrbital-method Man page
$,_p_OpenBabel__OBOrbitalData-method Man page
$,_p_OpenBabel__OBPairData-method Man page
$,_p_OpenBabel__OBPlugin-method Man page
$,_p_OpenBabel__OBRTree-method Man page
$,_p_OpenBabel__OBRandom-method Man page
$,_p_OpenBabel__OBResidue-method Man page
$,_p_OpenBabel__OBResidueAtomIter-method Man page
$,_p_OpenBabel__OBResidueData-method Man page
$,_p_OpenBabel__OBResidueIter-method Man page
$,_p_OpenBabel__OBRing-method Man page
$,_p_OpenBabel__OBRingData-method Man page
$,_p_OpenBabel__OBRingSearch-method Man page
$,_p_OpenBabel__OBRingTyper-method Man page
$,_p_OpenBabel__OBRotationData-method Man page
$,_p_OpenBabel__OBSSMatch-method Man page
$,_p_OpenBabel__OBSerialNums-method Man page
$,_p_OpenBabel__OBSetData-method Man page
$,_p_OpenBabel__OBSmartsMatcher-method Man page
$,_p_OpenBabel__OBSmartsPattern-method Man page
$,_p_OpenBabel__OBSqrtTbl-method Man page
$,_p_OpenBabel__OBStopwatch-method Man page
$,_p_OpenBabel__OBSymmetryData-method Man page
$,_p_OpenBabel__OBTorsion-method Man page
$,_p_OpenBabel__OBTorsionData-method Man page
$,_p_OpenBabel__OBTypeTable-method Man page
$,_p_OpenBabel__OBUnitCell-method Man page
$,_p_OpenBabel__OBVectorData-method Man page
$,_p_OpenBabel__OBVibrationData-method Man page
$,_p_OpenBabel__OBVirtualBond-method Man page
$,_p_OpenBabel__SpaceGroup-method Man page
$,_p_OpenBabel__matrix3x3-method Man page
$,_p_OpenBabel__transform3d-method Man page
$,_p_OpenBabel__vector3-method Man page
$,_p_std__pairT_unsigned_int_unsigned_int_t-method Man page
$,_p_std__vectorT_OpenBabel__OBBond_std__allocatorT_OpenBabel__O Man page
$,_p_std__vectorT_OpenBabel__OBGenericData_p_std__allocatorT_Ope Man page
$,_p_std__vectorT_OpenBabel__OBInternalCoord_p_std__allocatorT_O Man page
$,_p_std__vectorT_OpenBabel__OBMol_std__allocatorT_OpenBabel__OB Man page
$,_p_std__vectorT_OpenBabel__OBResidue_std__allocatorT_OpenBabel Man page
$,_p_std__vectorT_OpenBabel__OBRing_p_std__allocatorT_OpenBabel_ Man page
$,_p_std__vectorT_OpenBabel__OBRing_std__allocatorT_OpenBabel__O Man page
$,_p_std__vectorT_OpenBabel__vector3_std__allocatorT_OpenBabel__ Man page
$,_p_std__vectorT_double_std__allocatorT_double_t_t-method Man page
$,_p_std__vectorT_int_std__allocatorT_int_t_t-method Man page
$,_p_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__al Man page
$,_p_std__vectorT_std__string_std__allocatorT_std__string_t_t-me Man page
$,_p_std__vectorT_std__vectorT_OpenBabel__vector3_std__allocator Man page
$,_p_std__vectorT_std__vectorT_int_std__allocatorT_int_t_t_std__ Man page
$,_p_std__vectorT_std__vectorT_std__pairT_unsigned_int_unsigned_ Man page
$,_p_std__vectorT_unsigned_int_std__allocatorT_unsigned_int_t_t- Man page
$,_p_stringp-method Man page
$<-,_p_OpenBabel__DoubleType-method Man page
$<-,_p_OpenBabel__FptIndexHeader-method Man page
$<-,_p_OpenBabel__OBAtom-method Man page
$<-,_p_OpenBabel__OBAtomAtomIter-method Man page
$<-,_p_OpenBabel__OBAtomBondIter-method Man page
$<-,_p_OpenBabel__OBBond-method Man page
$<-,_p_OpenBabel__OBFFCalculation2-method Man page
$<-,_p_OpenBabel__OBFFCalculation3-method Man page
$<-,_p_OpenBabel__OBFFCalculation4-method Man page
$<-,_p_OpenBabel__OBFFConstraint-method Man page
$<-,_p_OpenBabel__OBFFParameter-method Man page
$<-,_p_OpenBabel__OBInternalCoord-method Man page
$<-,_p_OpenBabel__OBMolAtomBFSIter-method Man page
$<-,_p_OpenBabel__OBMolAtomDFSIter-method Man page
$<-,_p_OpenBabel__OBMolAtomIter-method Man page
$<-,_p_OpenBabel__OBMolBondBFSIter-method Man page
$<-,_p_OpenBabel__OBMolBondIter-method Man page
$<-,_p_OpenBabel__OBMolRingIter-method Man page
$<-,_p_OpenBabel__OBResidueAtomIter-method Man page
$<-,_p_OpenBabel__OBRing-method Man page
$<-,_p_OpenBabel__OBUnitCell-method Man page
$<-,_p_std__pairT_unsigned_int_unsigned_int_t-method Man page
[,ExternalReference-method Man page
[<-,ExternalReference-method Man page
[[<-,_p_OpenBabel__DoubleType,character-method Man page
[[<-,_p_OpenBabel__FptIndexHeader,character-method Man page
[[<-,_p_OpenBabel__OBAtom,character-method Man page
[[<-,_p_OpenBabel__OBAtomAtomIter,character-method Man page
[[<-,_p_OpenBabel__OBAtomBondIter,character-method Man page
[[<-,_p_OpenBabel__OBBond,character-method Man page
[[<-,_p_OpenBabel__OBFFCalculation2,character-method Man page
[[<-,_p_OpenBabel__OBFFCalculation3,character-method Man page
[[<-,_p_OpenBabel__OBFFCalculation4,character-method Man page
[[<-,_p_OpenBabel__OBFFConstraint,character-method Man page
[[<-,_p_OpenBabel__OBFFParameter,character-method Man page
[[<-,_p_OpenBabel__OBInternalCoord,character-method Man page
[[<-,_p_OpenBabel__OBMolAtomBFSIter,character-method Man page
[[<-,_p_OpenBabel__OBMolAtomDFSIter,character-method Man page
[[<-,_p_OpenBabel__OBMolAtomIter,character-method Man page
[[<-,_p_OpenBabel__OBMolBondBFSIter,character-method Man page
[[<-,_p_OpenBabel__OBMolBondIter,character-method Man page
[[<-,_p_OpenBabel__OBMolRingIter,character-method Man page
[[<-,_p_OpenBabel__OBResidueAtomIter,character-method Man page
[[<-,_p_OpenBabel__OBRing,character-method Man page
[[<-,_p_OpenBabel__OBUnitCell,character-method Man page
[[<-,_p_std__pairT_unsigned_int_unsigned_int_t,character-method Man page
convertFormat Man page Source code
convertFormatFile Man page Source code
fingerprint_OB Man page Source code
forEachMol Man page Source code
length,SWIGArray-method Man page
onLoad Source code
prop_OB Man page Source code
smartsSearch_OB Man page Source code
girke-lab/ChemmineOB-release documentation built on May 14, 2017, 10:55 a.m.