API for ChemmineOB
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
CopyToC_OpenBabel__CharPtrLess Source code
CopyToC_OpenBabel__DoubleType Source code
CopyToC_OpenBabel__FptIndexHeader Source code
CopyToC_OpenBabel__LineSearchType Source code
CopyToC_std__pairT_unsigned_int_unsigned_int_t Source code
CopyToC_stringp Source code
CopyToR_OpenBabel__CharPtrLess Source code
CopyToR_OpenBabel__DoubleType Source code
CopyToR_OpenBabel__FptIndexHeader Source code
CopyToR_OpenBabel__LineSearchType Source code
CopyToR_std__pairT_unsigned_int_unsigned_int_t Source code
CopyToR_stringp Source code
ElemDesc Source code
ElemNo Source code
R_SWIG_addCallbackFunctionStack Source code
R_SWIG_getCallbackFunctionStack Source code
ResNo Source code
Residue Source code
SWIG_createNewRef Source code
[,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
aromtyper Source code
assert Source code
atomtyper Source code
canonicalNumbering_OB Man page Source code
chainsparser Source code
coerceIfNotSubclass Source code
convertFormat Man page Source code
convertFormatFile Man page Source code
convertToImage Man page Source code
defineEnumeration Source code
enumFromInteger Source code
enumToInteger Source code
etab Source code
exactMass_OB Man page Source code
fingerprint_OB Man page Source code
forEachMol Man page Source code
isotab Source code
length,SWIGArray-method Man page
obErrorLog Source code
onLoad Source code
prop_OB Man page Source code
resdat Source code
smartsSearch_OB Man page Source code
ttab Source code
writeMols Source code
ChemmineOB documentation built on Nov. 1, 2018, 2:06 a.m.