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
.onLoad Source code
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
`AliasDataType_get` Source code
`AliasData_Expand` Source code
`AliasData_GetAlias__SWIG_0` Source code
`AliasData_GetAlias__SWIG_1` Source code
`AliasData_GetAlias` Source code
`AliasData_GetColor` Source code
`AliasData_IsExpanded` Source code
`AliasData_RevertToAliasForm` Source code
`AliasData_SetAlias__SWIG_0` Source code
`AliasData_SetAlias__SWIG_1` Source code
`AliasData_SetAlias` Source code
`AliasData_SetColor` Source code
`AliasData` Source code
`CalcTorsionAngle` Source code
`CartesianToInternal` Source code
`CharPtrLess` Source code
`CompareRingSize` Source code
`DoubleAdd` Source code
`DoubleModulus` Source code
`DoubleMultiply` Source code
`DoubleType_hi_get` Source code
`DoubleType_hi_set` Source code
`DoubleType_lo_get` Source code
`DoubleType_lo_set` Source code
`DoubleType` Source code
`ElemDesc_get` Source code
`ElemDesc_set` Source code
`ElemNo_get` Source code
`ElemNo_set` Source code
`EqualEqual` Source code
`FastSearchIndexer_Add` Source code
`FastSearchIndexer__SWIG_0` Source code
`FastSearchIndexer__SWIG_1` Source code
`FastSearchIndexer__SWIG_2` Source code
`FastSearchIndexer__SWIG_3` Source code
`FastSearchIndexer__SWIG_4` Source code
`FastSearchIndexer` Source code
`FastSearch_FindMatch` Source code
`FastSearch_FindSimilar__SWIG_0` Source code
`FastSearch_FindSimilar__SWIG_1` Source code
`FastSearch_FindSimilar__SWIG_2` Source code
`FastSearch_FindSimilar__SWIG_3` Source code
`FastSearch_FindSimilar` Source code
`FastSearch_Find` Source code
`FastSearch_GetFingerprint` Source code
`FastSearch_GetIndexHeader` Source code
`FastSearch_ReadIndexFile` Source code
`FastSearch_ReadIndex` Source code
`FastSearch` Source code
`FptIndexHeader_datafilename_get` Source code
`FptIndexHeader_datafilename_set` Source code
`FptIndexHeader_fpid_get` Source code
`FptIndexHeader_fpid_set` Source code
`FptIndexHeader_headerlength_get` Source code
`FptIndexHeader_headerlength_set` Source code
`FptIndexHeader_nEntries_get` Source code
`FptIndexHeader_nEntries_set` Source code
`FptIndexHeader_words_get` Source code
`FptIndexHeader_words_set` Source code
`FptIndexHeader` Source code
`InternalToCartesian` Source code
`LessThan` Source code
`LineSearchType` Source code
`Minus` Source code
`Multiply__SWIG_0` Source code
`Multiply__SWIG_1` Source code
`Multiply` Source code
`NewExtension` Source code
`NoId_get` Source code
`OBAngleData_Clear` Source code
`OBAngleData_FillAngleArray__SWIG_0` Source code
`OBAngleData_FillAngleArray__SWIG_1` Source code
`OBAngleData_FillAngleArray` Source code
`OBAngleData_GetSize` Source code
`OBAngleData_SetData` Source code
`OBAngle_Clear` Source code
`OBAngle_GetAngle` Source code
`OBAngle_SetAngle` Source code
`OBAngle_SetAtoms__SWIG_0` Source code
`OBAngle_SetAtoms__SWIG_1` Source code
`OBAngle_SetAtoms` Source code
`OBAngle__SWIG_2` Source code
`OBAngle` Source code
`OBAromaticTyper_AssignAromaticFlags` Source code
`OBAromaticTyper_CheckAromaticity` Source code
`OBAromaticTyper_ExcludeSmallRing` Source code
`OBAromaticTyper_PropagatePotentialAromatic` Source code
`OBAromaticTyper_SelectRootAtoms__SWIG_0` Source code
`OBAromaticTyper_SelectRootAtoms__SWIG_1` Source code
`OBAromaticTyper_SelectRootAtoms` Source code
`OBAromaticTyper_TraverseCycle` Source code
`OBAromaticTyper` Source code
`OBAtomAtomIter_AddBond` Source code
`OBAtomAtomIter_AddResidue` Source code
`OBAtomAtomIter_AverageBondAngle` Source code
`OBAtomAtomIter_BOSum` Source code
`OBAtomAtomIter_BeginBond` Source code
`OBAtomAtomIter_BeginBonds` Source code
`OBAtomAtomIter_BeginData` Source code
`OBAtomAtomIter_BeginNbrAtom` Source code
`OBAtomAtomIter_ClassDescription` Source code
`OBAtomAtomIter_ClearBond` Source code
`OBAtomAtomIter_ClearCoordPtr` Source code
`OBAtomAtomIter_Clear` Source code
`OBAtomAtomIter_CloneData` Source code
`OBAtomAtomIter_CountBondsOfOrder` Source code
`OBAtomAtomIter_CountFreeOxygens` Source code
`OBAtomAtomIter_CountRingBonds` Source code
`OBAtomAtomIter_DataSize` Source code
`OBAtomAtomIter_DecrementImplicitValence` Source code
`OBAtomAtomIter_DeleteBond` Source code
`OBAtomAtomIter_DeleteData__SWIG_0` Source code
`OBAtomAtomIter_DeleteData__SWIG_1` Source code
`OBAtomAtomIter_DeleteData__SWIG_2` Source code
`OBAtomAtomIter_DeleteData__SWIG_3` Source code
`OBAtomAtomIter_DeleteData` Source code
`OBAtomAtomIter_DeleteResidue` Source code
`OBAtomAtomIter_DoTransformations` Source code
`OBAtomAtomIter_Duplicate` Source code
`OBAtomAtomIter_EndBonds` Source code
`OBAtomAtomIter_EndData` Source code
`OBAtomAtomIter_ExplicitHydrogenCount__SWIG_0` Source code
`OBAtomAtomIter_ExplicitHydrogenCount__SWIG_1` Source code
`OBAtomAtomIter_ExplicitHydrogenCount` Source code
`OBAtomAtomIter_ForceImplH` Source code
`OBAtomAtomIter_ForceNoH` Source code
`OBAtomAtomIter_GetAllData` Source code
`OBAtomAtomIter_GetAngle__SWIG_0` Source code
`OBAtomAtomIter_GetAngle__SWIG_1` Source code
`OBAtomAtomIter_GetAngle` Source code
`OBAtomAtomIter_GetAtomicMass` Source code
`OBAtomAtomIter_GetAtomicNum` Source code
`OBAtomAtomIter_GetBond` Source code
`OBAtomAtomIter_GetCIdx` Source code
`OBAtomAtomIter_GetCoordinateIdx` Source code
`OBAtomAtomIter_GetCoordinate` Source code
`OBAtomAtomIter_GetData__SWIG_0` Source code
`OBAtomAtomIter_GetData__SWIG_1` Source code
`OBAtomAtomIter_GetData__SWIG_2` Source code
`OBAtomAtomIter_GetData__SWIG_3` Source code
`OBAtomAtomIter_GetData` Source code
`OBAtomAtomIter_GetDistance__SWIG_0` Source code
`OBAtomAtomIter_GetDistance__SWIG_1` Source code
`OBAtomAtomIter_GetDistance` Source code
`OBAtomAtomIter_GetExactMass` Source code
`OBAtomAtomIter_GetFormalCharge` Source code
`OBAtomAtomIter_GetHeteroValence` Source code
`OBAtomAtomIter_GetHvyValence` Source code
`OBAtomAtomIter_GetHyb` Source code
`OBAtomAtomIter_GetId` Source code
`OBAtomAtomIter_GetIdx` Source code
`OBAtomAtomIter_GetImplicitValence` Source code
`OBAtomAtomIter_GetIndex` Source code
`OBAtomAtomIter_GetIsotope` Source code
`OBAtomAtomIter_GetNewBondVector` Source code
`OBAtomAtomIter_GetNextAtom` Source code
`OBAtomAtomIter_GetParent` Source code
`OBAtomAtomIter_GetPartialCharge` Source code
`OBAtomAtomIter_GetResidue__SWIG_0` Source code
`OBAtomAtomIter_GetResidue__SWIG_1` Source code
`OBAtomAtomIter_GetResidue` Source code
`OBAtomAtomIter_GetSpinMultiplicity` Source code
`OBAtomAtomIter_GetTitle__SWIG_0` Source code
`OBAtomAtomIter_GetTitle__SWIG_1` Source code
`OBAtomAtomIter_GetTitle` Source code
`OBAtomAtomIter_GetType` Source code
`OBAtomAtomIter_GetValence` Source code
`OBAtomAtomIter_GetVector` Source code
`OBAtomAtomIter_GetX` Source code
`OBAtomAtomIter_GetY` Source code
`OBAtomAtomIter_GetZ` Source code
`OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_0` Source code
`OBAtomAtomIter_HasAlphaBetaUnsat__SWIG_1` Source code
`OBAtomAtomIter_HasAlphaBetaUnsat` Source code
`OBAtomAtomIter_HasAromaticBond` Source code
`OBAtomAtomIter_HasBondOfOrder` Source code
`OBAtomAtomIter_HasChiralVolume` Source code
`OBAtomAtomIter_HasChiralitySpecified` Source code
`OBAtomAtomIter_HasData__SWIG_0` Source code
`OBAtomAtomIter_HasData__SWIG_1` Source code
`OBAtomAtomIter_HasData` Source code
`OBAtomAtomIter_HasDoubleBond` Source code
`OBAtomAtomIter_HasImplHForced` Source code
`OBAtomAtomIter_HasMore` Source code
`OBAtomAtomIter_HasNoHForced` Source code
`OBAtomAtomIter_HasNonSingleBond` Source code
`OBAtomAtomIter_HasResidue` Source code
`OBAtomAtomIter_HasSingleBond` Source code
`OBAtomAtomIter_HtoMethyl` Source code
`OBAtomAtomIter_ImplicitHydrogenCount` Source code
`OBAtomAtomIter_IncrementImplicitValence` Source code
`OBAtomAtomIter_InsertBond` Source code
`OBAtomAtomIter_IsAmideNitrogen` Source code
`OBAtomAtomIter_IsAntiClockwise` Source code
`OBAtomAtomIter_IsAromaticNOxide` Source code
`OBAtomAtomIter_IsAromatic` Source code
`OBAtomAtomIter_IsAxial` Source code
`OBAtomAtomIter_IsCarbon` Source code
`OBAtomAtomIter_IsCarboxylOxygen` Source code
`OBAtomAtomIter_IsChiral` Source code
`OBAtomAtomIter_IsClockwise` Source code
`OBAtomAtomIter_IsConnected` Source code
`OBAtomAtomIter_IsHbondAcceptor` Source code
`OBAtomAtomIter_IsHbondDonorH` Source code
`OBAtomAtomIter_IsHbondDonor` Source code
`OBAtomAtomIter_IsHeteroatom` Source code
`OBAtomAtomIter_IsInRingSize` Source code
`OBAtomAtomIter_IsInRing` Source code
`OBAtomAtomIter_IsNegativeStereo` Source code
`OBAtomAtomIter_IsNitroOxygen` Source code
`OBAtomAtomIter_IsNitrogen` Source code
`OBAtomAtomIter_IsNonPolarHydrogen` Source code
`OBAtomAtomIter_IsNotCorH` Source code
`OBAtomAtomIter_IsOneFour` Source code
`OBAtomAtomIter_IsOneThree` Source code
`OBAtomAtomIter_IsOxygen` Source code
`OBAtomAtomIter_IsPhosphateOxygen` Source code
`OBAtomAtomIter_IsPhosphorus` Source code
`OBAtomAtomIter_IsPolarHydrogen` Source code
`OBAtomAtomIter_IsPositiveStereo` Source code
`OBAtomAtomIter_IsSulfateOxygen` Source code
`OBAtomAtomIter_IsSulfur` Source code
`OBAtomAtomIter_KBOSum` Source code
`OBAtomAtomIter_MatchesSMARTS` Source code
`OBAtomAtomIter_MemberOfRingCount` Source code
`OBAtomAtomIter_MemberOfRingSize` Source code
`OBAtomAtomIter_NewResidue` Source code
`OBAtomAtomIter_NextBond` Source code
`OBAtomAtomIter_NextNbrAtom` Source code
`OBAtomAtomIter_SetAntiClockwiseStereo` Source code
`OBAtomAtomIter_SetAromatic` Source code
`OBAtomAtomIter_SetAtomicNum` Source code
`OBAtomAtomIter_SetChiral` Source code
`OBAtomAtomIter_SetClockwiseStereo` Source code
`OBAtomAtomIter_SetCoordPtr` Source code
`OBAtomAtomIter_SetFormalCharge` Source code
`OBAtomAtomIter_SetHybAndGeom` Source code
`OBAtomAtomIter_SetHyb` Source code
`OBAtomAtomIter_SetId` Source code
`OBAtomAtomIter_SetIdx` Source code
`OBAtomAtomIter_SetImplicitValence` Source code
`OBAtomAtomIter_SetInRing` Source code
`OBAtomAtomIter_SetIsotope` Source code
`OBAtomAtomIter_SetNegativeStereo` Source code
`OBAtomAtomIter_SetParent` Source code
`OBAtomAtomIter_SetPartialCharge` Source code
`OBAtomAtomIter_SetPositiveStereo` Source code
`OBAtomAtomIter_SetResidue` Source code
`OBAtomAtomIter_SetSpinMultiplicity` Source code
`OBAtomAtomIter_SetTitle` Source code
`OBAtomAtomIter_SetType` Source code
`OBAtomAtomIter_SetVector__SWIG_0` Source code
`OBAtomAtomIter_SetVector__SWIG_1` Source code
`OBAtomAtomIter_SetVector__SWIG_2` Source code
`OBAtomAtomIter_SetVector` Source code
`OBAtomAtomIter_SmallestBondAngle` Source code
`OBAtomAtomIter_UnsetAromatic` Source code
`OBAtomAtomIter_UnsetStereo` Source code
`OBAtomAtomIter_Visit_get` Source code
`OBAtomAtomIter_Visit_set` Source code
`OBAtomAtomIter__SWIG_0` Source code
`OBAtomAtomIter__SWIG_1` Source code
`OBAtomAtomIter__SWIG_2` Source code
`OBAtomAtomIter___deref__` Source code
`OBAtomAtomIter___ref__` Source code
`OBAtomAtomIter_inc__SWIG_0` Source code
`OBAtomAtomIter_inc__SWIG_1` Source code
`OBAtomAtomIter_inc` Source code
`OBAtomAtomIter_x` Source code
`OBAtomAtomIter_y` Source code
`OBAtomAtomIter_z` Source code
`OBAtomAtomIter` Source code
`OBAtomBondIter_BeginData` Source code
`OBAtomBondIter_ClassDescription` Source code
`OBAtomBondIter_Clear` Source code
`OBAtomBondIter_CloneData` Source code
`OBAtomBondIter_DataSize` Source code
`OBAtomBondIter_DeleteData__SWIG_0` Source code
`OBAtomBondIter_DeleteData__SWIG_1` Source code
`OBAtomBondIter_DeleteData__SWIG_2` Source code
`OBAtomBondIter_DeleteData__SWIG_3` Source code
`OBAtomBondIter_DeleteData` Source code
`OBAtomBondIter_DoTransformations` Source code
`OBAtomBondIter_EndData` Source code
`OBAtomBondIter_FindSmallestRing` Source code
`OBAtomBondIter_GetAllData` Source code
`OBAtomBondIter_GetBO` Source code
`OBAtomBondIter_GetBeginAtomIdx` Source code
`OBAtomBondIter_GetBeginAtom` Source code
`OBAtomBondIter_GetBondOrder` Source code
`OBAtomBondIter_GetData__SWIG_0` Source code
`OBAtomBondIter_GetData__SWIG_1` Source code
`OBAtomBondIter_GetData__SWIG_2` Source code
`OBAtomBondIter_GetData__SWIG_3` Source code
`OBAtomBondIter_GetData` Source code
`OBAtomBondIter_GetEndAtomIdx` Source code
`OBAtomBondIter_GetEndAtom` Source code
`OBAtomBondIter_GetEquibLength` Source code
`OBAtomBondIter_GetFlags` Source code
`OBAtomBondIter_GetId` Source code
`OBAtomBondIter_GetIdx` Source code
`OBAtomBondIter_GetLength` Source code
`OBAtomBondIter_GetNbrAtomIdx` Source code
`OBAtomBondIter_GetNbrAtom` Source code
`OBAtomBondIter_GetParent` Source code
`OBAtomBondIter_GetTitle__SWIG_0` Source code
`OBAtomBondIter_GetTitle__SWIG_1` Source code
`OBAtomBondIter_GetTitle` Source code
`OBAtomBondIter_HasData__SWIG_0` Source code
`OBAtomBondIter_HasData__SWIG_1` Source code
`OBAtomBondIter_HasData` Source code
`OBAtomBondIter_HasMore` Source code
`OBAtomBondIter_IsAmide` Source code
`OBAtomBondIter_IsAromatic` Source code
`OBAtomBondIter_IsCarbonyl` Source code
`OBAtomBondIter_IsCisOrTrans` Source code
`OBAtomBondIter_IsClosure` Source code
`OBAtomBondIter_IsDoubleBondGeometry` Source code
`OBAtomBondIter_IsDouble` Source code
`OBAtomBondIter_IsDown` Source code
`OBAtomBondIter_IsEster` Source code
`OBAtomBondIter_IsHash` Source code
`OBAtomBondIter_IsInRing` Source code
`OBAtomBondIter_IsKDouble` Source code
`OBAtomBondIter_IsKSingle` Source code
`OBAtomBondIter_IsKTriple` Source code
`OBAtomBondIter_IsPrimaryAmide` Source code
`OBAtomBondIter_IsRotor` Source code
`OBAtomBondIter_IsSecondaryAmide` Source code
`OBAtomBondIter_IsSingle` Source code
`OBAtomBondIter_IsTertiaryAmide` Source code
`OBAtomBondIter_IsTriple` Source code
`OBAtomBondIter_IsUp` Source code
`OBAtomBondIter_IsWedgeOrHash` Source code
`OBAtomBondIter_IsWedge` Source code
`OBAtomBondIter_SetAromatic` Source code
`OBAtomBondIter_SetBO` Source code
`OBAtomBondIter_SetBegin` Source code
`OBAtomBondIter_SetBondOrder` Source code
`OBAtomBondIter_SetClosure` Source code
`OBAtomBondIter_SetDown` Source code
`OBAtomBondIter_SetEnd` Source code
`OBAtomBondIter_SetHash` Source code
`OBAtomBondIter_SetId` Source code
`OBAtomBondIter_SetIdx` Source code
`OBAtomBondIter_SetInRing__SWIG_0` Source code
`OBAtomBondIter_SetInRing__SWIG_1` Source code
`OBAtomBondIter_SetInRing` Source code
`OBAtomBondIter_SetKDouble` Source code
`OBAtomBondIter_SetKSingle` Source code
`OBAtomBondIter_SetKTriple` Source code
`OBAtomBondIter_SetLength__SWIG_0` Source code
`OBAtomBondIter_SetLength__SWIG_1` Source code
`OBAtomBondIter_SetLength` Source code
`OBAtomBondIter_SetParent` Source code
`OBAtomBondIter_SetTitle` Source code
`OBAtomBondIter_SetUp` Source code
`OBAtomBondIter_SetWedgeOrHash` Source code
`OBAtomBondIter_SetWedge` Source code
`OBAtomBondIter_Set` Source code
`OBAtomBondIter_UnsetAromatic` Source code
`OBAtomBondIter_UnsetDown` Source code
`OBAtomBondIter_UnsetHash` Source code
`OBAtomBondIter_UnsetKekule` Source code
`OBAtomBondIter_UnsetUp` Source code
`OBAtomBondIter_UnsetWedge` Source code
`OBAtomBondIter_Visit_get` Source code
`OBAtomBondIter_Visit_set` Source code
`OBAtomBondIter__SWIG_0` Source code
`OBAtomBondIter__SWIG_1` Source code
`OBAtomBondIter__SWIG_2` Source code
`OBAtomBondIter___deref__` Source code
`OBAtomBondIter___ref__` Source code
`OBAtomBondIter_inc__SWIG_0` Source code
`OBAtomBondIter_inc__SWIG_1` Source code
`OBAtomBondIter_inc` Source code
`OBAtomBondIter` Source code
`OBAtomClassData_Add` Source code
`OBAtomClassData_Clear` Source code
`OBAtomClassData_GetClassString` Source code
`OBAtomClassData_GetClass` Source code
`OBAtomClassData_HasClass` Source code
`OBAtomClassData_size` Source code
`OBAtomClassData` Source code
`OBAtomTyper_AssignHyb` Source code
`OBAtomTyper_AssignImplicitValence` Source code
`OBAtomTyper_AssignTypes` Source code
`OBAtomTyper_CorrectAromaticNitrogens` Source code
`OBAtomTyper` Source code
`OBAtom_AddBond` Source code
`OBAtom_AddResidue` Source code
`OBAtom_AverageBondAngle` Source code
`OBAtom_BOSum` Source code
`OBAtom_BeginBond` Source code
`OBAtom_BeginBonds` Source code
`OBAtom_BeginNbrAtom` Source code
`OBAtom_ClearBond` Source code
`OBAtom_ClearCoordPtr` Source code
`OBAtom_CountBondsOfOrder` Source code
`OBAtom_CountFreeOxygens` Source code
`OBAtom_CountRingBonds` Source code
`OBAtom_DecrementImplicitValence` Source code
`OBAtom_DeleteBond` Source code
`OBAtom_DeleteResidue` Source code
`OBAtom_Duplicate` Source code
`OBAtom_EndBonds` Source code
`OBAtom_ExplicitHydrogenCount__SWIG_0` Source code
`OBAtom_ExplicitHydrogenCount__SWIG_1` Source code
`OBAtom_ExplicitHydrogenCount` Source code
`OBAtom_ForceImplH` Source code
`OBAtom_ForceNoH` Source code
`OBAtom_GetAngle__SWIG_0` Source code
`OBAtom_GetAngle__SWIG_1` Source code
`OBAtom_GetAngle` Source code
`OBAtom_GetAtomicMass` Source code
`OBAtom_GetAtomicNum` Source code
`OBAtom_GetBond` Source code
`OBAtom_GetCIdx` Source code
`OBAtom_GetCoordinateIdx` Source code
`OBAtom_GetCoordinate` Source code
`OBAtom_GetDistance__SWIG_0` Source code
`OBAtom_GetDistance__SWIG_1` Source code
`OBAtom_GetDistance` Source code
`OBAtom_GetExactMass` Source code
`OBAtom_GetFormalCharge` Source code
`OBAtom_GetHeteroValence` Source code
`OBAtom_GetHvyValence` Source code
`OBAtom_GetHyb` Source code
`OBAtom_GetId` Source code
`OBAtom_GetIdx` Source code
`OBAtom_GetImplicitValence` Source code
`OBAtom_GetIndex` Source code
`OBAtom_GetIsotope` Source code
`OBAtom_GetNewBondVector` Source code
`OBAtom_GetNextAtom` Source code
`OBAtom_GetParent` Source code
`OBAtom_GetPartialCharge` Source code
`OBAtom_GetResidue__SWIG_0` Source code
`OBAtom_GetResidue__SWIG_1` Source code
`OBAtom_GetResidue` Source code
`OBAtom_GetSpinMultiplicity` Source code
`OBAtom_GetType` Source code
`OBAtom_GetValence` Source code
`OBAtom_GetVector` Source code
`OBAtom_GetX` Source code
`OBAtom_GetY` Source code
`OBAtom_GetZ` Source code
`OBAtom_HasAlphaBetaUnsat__SWIG_0` Source code
`OBAtom_HasAlphaBetaUnsat__SWIG_1` Source code
`OBAtom_HasAlphaBetaUnsat` Source code
`OBAtom_HasAromaticBond` Source code
`OBAtom_HasBondOfOrder` Source code
`OBAtom_HasChiralVolume` Source code
`OBAtom_HasChiralitySpecified` Source code
`OBAtom_HasDoubleBond` Source code
`OBAtom_HasImplHForced` Source code
`OBAtom_HasNoHForced` Source code
`OBAtom_HasNonSingleBond` Source code
`OBAtom_HasResidue` Source code
`OBAtom_HasSingleBond` Source code
`OBAtom_HtoMethyl` Source code
`OBAtom_ImplicitHydrogenCount` Source code
`OBAtom_IncrementImplicitValence` Source code
`OBAtom_InsertBond` Source code
`OBAtom_IsAmideNitrogen` Source code
`OBAtom_IsAntiClockwise` Source code
`OBAtom_IsAromaticNOxide` Source code
`OBAtom_IsAromatic` Source code
`OBAtom_IsAxial` Source code
`OBAtom_IsCarbon` Source code
`OBAtom_IsCarboxylOxygen` Source code
`OBAtom_IsChiral` Source code
`OBAtom_IsClockwise` Source code
`OBAtom_IsConnected` Source code
`OBAtom_IsHbondAcceptor` Source code
`OBAtom_IsHbondDonorH` Source code
`OBAtom_IsHbondDonor` Source code
`OBAtom_IsHeteroatom` Source code
`OBAtom_IsInRingSize` Source code
`OBAtom_IsInRing` Source code
`OBAtom_IsNegativeStereo` Source code
`OBAtom_IsNitroOxygen` Source code
`OBAtom_IsNitrogen` Source code
`OBAtom_IsNonPolarHydrogen` Source code
`OBAtom_IsNotCorH` Source code
`OBAtom_IsOneFour` Source code
`OBAtom_IsOneThree` Source code
`OBAtom_IsOxygen` Source code
`OBAtom_IsPhosphateOxygen` Source code
`OBAtom_IsPhosphorus` Source code
`OBAtom_IsPolarHydrogen` Source code
`OBAtom_IsPositiveStereo` Source code
`OBAtom_IsSulfateOxygen` Source code
`OBAtom_IsSulfur` Source code
`OBAtom_KBOSum` Source code
`OBAtom_MatchesSMARTS` Source code
`OBAtom_MemberOfRingCount` Source code
`OBAtom_MemberOfRingSize` Source code
`OBAtom_NewResidue` Source code
`OBAtom_NextBond` Source code
`OBAtom_NextNbrAtom` Source code
`OBAtom_SetAntiClockwiseStereo` Source code
`OBAtom_SetAromatic` Source code
`OBAtom_SetAtomicNum` Source code
`OBAtom_SetChiral` Source code
`OBAtom_SetClockwiseStereo` Source code
`OBAtom_SetCoordPtr` Source code
`OBAtom_SetFormalCharge` Source code
`OBAtom_SetHybAndGeom` Source code
`OBAtom_SetHyb` Source code
`OBAtom_SetId` Source code
`OBAtom_SetIdx` Source code
`OBAtom_SetImplicitValence` Source code
`OBAtom_SetInRing` Source code
`OBAtom_SetIsotope` Source code
`OBAtom_SetNegativeStereo` Source code
`OBAtom_SetParent` Source code
`OBAtom_SetPartialCharge` Source code
`OBAtom_SetPositiveStereo` Source code
`OBAtom_SetResidue` Source code
`OBAtom_SetSpinMultiplicity` Source code
`OBAtom_SetType` Source code
`OBAtom_SetVector__SWIG_0` Source code
`OBAtom_SetVector__SWIG_1` Source code
`OBAtom_SetVector__SWIG_2` Source code
`OBAtom_SetVector` Source code
`OBAtom_SmallestBondAngle` Source code
`OBAtom_UnsetAromatic` Source code
`OBAtom_UnsetStereo` Source code
`OBAtom_Visit_get` Source code
`OBAtom_Visit_set` Source code
`OBAtom_x` Source code
`OBAtom_y` Source code
`OBAtom_z` Source code
`OBAtom` Source code
`OBBase_BeginData` Source code
`OBBase_ClassDescription` Source code
`OBBase_Clear` Source code
`OBBase_CloneData` Source code
`OBBase_DataSize` Source code
`OBBase_DeleteData__SWIG_0` Source code
`OBBase_DeleteData__SWIG_1` Source code
`OBBase_DeleteData__SWIG_2` Source code
`OBBase_DeleteData__SWIG_3` Source code
`OBBase_DeleteData` Source code
`OBBase_DoTransformations` Source code
`OBBase_EndData` Source code
`OBBase_GetAllData` Source code
`OBBase_GetData__SWIG_0` Source code
`OBBase_GetData__SWIG_1` Source code
`OBBase_GetData__SWIG_2` Source code
`OBBase_GetData__SWIG_3` Source code
`OBBase_GetData` Source code
`OBBase_GetTitle__SWIG_0` Source code
`OBBase_GetTitle__SWIG_1` Source code
`OBBase_GetTitle` Source code
`OBBase_HasData__SWIG_0` Source code
`OBBase_HasData__SWIG_1` Source code
`OBBase_HasData` Source code
`OBBase_SetTitle` Source code
`OBBase` Source code
`OBBitVec_BitIsOn` Source code
`OBBitVec_BitIsSet` Source code
`OBBitVec_Clear` Source code
`OBBitVec_CountBits` Source code
`OBBitVec_Empty` Source code
`OBBitVec_EndBit` Source code
`OBBitVec_FirstBit__SWIG_0` Source code
`OBBitVec_FirstBit__SWIG_1` Source code
`OBBitVec_FirstBit` Source code
`OBBitVec_Fold` Source code
`OBBitVec_FromString` Source code
`OBBitVec_FromVecInt` Source code
`OBBitVec_GetSize` Source code
`OBBitVec_GetWords` Source code
`OBBitVec_IsEmpty` Source code
`OBBitVec_Negate` Source code
`OBBitVec_NextBit` Source code
`OBBitVec_ResizeWords` Source code
`OBBitVec_Resize` Source code
`OBBitVec_SetBitOff` Source code
`OBBitVec_SetBitOn` Source code
`OBBitVec_SetRangeOff` Source code
`OBBitVec_SetRangeOn` Source code
`OBBitVec_ToVecInt` Source code
`OBBitVec__SWIG_0` Source code
`OBBitVec__SWIG_1` Source code
`OBBitVec__SWIG_2` Source code
`OBBitVec` Source code
`OBBond_FindSmallestRing` Source code
`OBBond_GetBO` Source code
`OBBond_GetBeginAtomIdx` Source code
`OBBond_GetBeginAtom` Source code
`OBBond_GetBondOrder` Source code
`OBBond_GetEndAtomIdx` Source code
`OBBond_GetEndAtom` Source code
`OBBond_GetEquibLength` Source code
`OBBond_GetFlags` Source code
`OBBond_GetId` Source code
`OBBond_GetIdx` Source code
`OBBond_GetLength` Source code
`OBBond_GetNbrAtomIdx` Source code
`OBBond_GetNbrAtom` Source code
`OBBond_GetParent` Source code
`OBBond_IsAmide` Source code
`OBBond_IsAromatic` Source code
`OBBond_IsCarbonyl` Source code
`OBBond_IsCisOrTrans` Source code
`OBBond_IsClosure` Source code
`OBBond_IsDoubleBondGeometry` Source code
`OBBond_IsDouble` Source code
`OBBond_IsDown` Source code
`OBBond_IsEster` Source code
`OBBond_IsHash` Source code
`OBBond_IsInRing` Source code
`OBBond_IsKDouble` Source code
`OBBond_IsKSingle` Source code
`OBBond_IsKTriple` Source code
`OBBond_IsPrimaryAmide` Source code
`OBBond_IsRotor` Source code
`OBBond_IsSecondaryAmide` Source code
`OBBond_IsSingle` Source code
`OBBond_IsTertiaryAmide` Source code
`OBBond_IsTriple` Source code
`OBBond_IsUp` Source code
`OBBond_IsWedgeOrHash` Source code
`OBBond_IsWedge` Source code
`OBBond_SetAromatic` Source code
`OBBond_SetBO` Source code
`OBBond_SetBegin` Source code
`OBBond_SetBondOrder` Source code
`OBBond_SetClosure` Source code
`OBBond_SetDown` Source code
`OBBond_SetEnd` Source code
`OBBond_SetHash` Source code
`OBBond_SetId` Source code
`OBBond_SetIdx` Source code
`OBBond_SetInRing__SWIG_0` Source code
`OBBond_SetInRing__SWIG_1` Source code
`OBBond_SetInRing` Source code
`OBBond_SetKDouble` Source code
`OBBond_SetKSingle` Source code
`OBBond_SetKTriple` Source code
`OBBond_SetLength__SWIG_0` Source code
`OBBond_SetLength__SWIG_1` Source code
`OBBond_SetLength` Source code
`OBBond_SetParent` Source code
`OBBond_SetUp` Source code
`OBBond_SetWedgeOrHash` Source code
`OBBond_SetWedge` Source code
`OBBond_Set` Source code
`OBBond_UnsetAromatic` Source code
`OBBond_UnsetDown` Source code
`OBBond_UnsetHash` Source code
`OBBond_UnsetKekule` Source code
`OBBond_UnsetUp` Source code
`OBBond_UnsetWedge` Source code
`OBBond_Visit_get` Source code
`OBBond_Visit_set` Source code
`OBBond` Source code
`OBBuilder_AddNbrs` Source code
`OBBuilder_Build` Source code
`OBBuilder_Connect__SWIG_0` Source code
`OBBuilder_Connect__SWIG_1` Source code
`OBBuilder_Connect__SWIG_2` Source code
`OBBuilder_Connect__SWIG_3` Source code
`OBBuilder_Connect` Source code
`OBBuilder_CorrectStereoAtoms` Source code
`OBBuilder_CorrectStereoBonds` Source code
`OBBuilder_GetFragment` Source code
`OBBuilder_GetNewBondVector__SWIG_0` Source code
`OBBuilder_GetNewBondVector__SWIG_1` Source code
`OBBuilder_GetNewBondVector` Source code
`OBBuilder_IsSpiroAtom` Source code
`OBBuilder_LoadFragments` Source code
`OBBuilder_SetKeepRings` Source code
`OBBuilder_Swap` Source code
`OBBuilder_UnsetKeepRings` Source code
`OBBuilder` Source code
`OBChainsParser_PerceiveChains__SWIG_0` Source code
`OBChainsParser_PerceiveChains__SWIG_1` Source code
`OBChainsParser_PerceiveChains` Source code
`OBChainsParser` Source code
`OBChiralData_AddAtomRef` Source code
`OBChiralData_Clear` Source code
`OBChiralData_GetAtom4Refs` Source code
`OBChiralData_GetAtomRef` Source code
`OBChiralData_GetSize` Source code
`OBChiralData_SetAtom4Refs` Source code
`OBChiralData__SWIG_0` Source code
`OBChiralData__SWIG_1` Source code
`OBChiralData` Source code
`OBCommentData_GetData` Source code
`OBCommentData_SetData__SWIG_0` Source code
`OBCommentData_SetData__SWIG_1` Source code
`OBCommentData_SetData` Source code
`OBCommentData__SWIG_0` Source code
`OBCommentData__SWIG_1` Source code
`OBCommentData` Source code
`OBConformerData_GetData` Source code
`OBConformerData_GetDimension` Source code
`OBConformerData_GetDisplacements` Source code
`OBConformerData_GetEnergies` Source code
`OBConformerData_GetForces` Source code
`OBConformerData_GetVelocities` Source code
`OBConformerData_SetData` Source code
`OBConformerData_SetDimension` Source code
`OBConformerData_SetDisplacements` Source code
`OBConformerData_SetEnergies` Source code
`OBConformerData_SetForces` Source code
`OBConformerData_SetVelocities` Source code
`OBConformerData__SWIG_0` Source code
`OBConformerData__SWIG_1` Source code
`OBConformerData` Source code
`OBConversion_AddChemObject` Source code
`OBConversion_AddOption__SWIG_0` Source code
`OBConversion_AddOption__SWIG_1` Source code
`OBConversion_AddOption__SWIG_2` Source code
`OBConversion_AddOption` Source code
`OBConversion_CloseOutFile` Source code
`OBConversion_Convert__SWIG_0` Source code
`OBConversion_Convert__SWIG_1` Source code
`OBConversion_Convert` Source code
`OBConversion_CopyOptions__SWIG_0` Source code
`OBConversion_CopyOptions__SWIG_1` Source code
`OBConversion_CopyOptions` Source code
`OBConversion_Description` Source code
`OBConversion_FindFormat` Source code
`OBConversion_FormatFromExt` Source code
`OBConversion_FormatFromMIME` Source code
`OBConversion_FullConvert` Source code
`OBConversion_GetAuxConv` Source code
`OBConversion_GetChemObject` Source code
`OBConversion_GetCount` Source code
`OBConversion_GetDefaultFormat` Source code
`OBConversion_GetInFilename` Source code
`OBConversion_GetInFormat` Source code
`OBConversion_GetInLen` Source code
`OBConversion_GetInPos` Source code
`OBConversion_GetInStream` Source code
`OBConversion_GetNextFormat` Source code
`OBConversion_GetOptionParams` Source code
`OBConversion_GetOptions` Source code
`OBConversion_GetOutFormat` Source code
`OBConversion_GetOutStream` Source code
`OBConversion_GetOutputIndex` Source code
`OBConversion_GetSupportedInputFormat` Source code
`OBConversion_GetSupportedOutputFormat` Source code
`OBConversion_GetTitle` Source code
`OBConversion_IsFirstInput` Source code
`OBConversion_IsLastFile` Source code
`OBConversion_IsLast` Source code
`OBConversion_IsOption__SWIG_0` Source code
`OBConversion_IsOption__SWIG_1` Source code
`OBConversion_IsOption` Source code
`OBConversion_NumInputObjects` Source code
`OBConversion_OpenInAndOutFiles` Source code
`OBConversion_ReadFile` Source code
`OBConversion_ReadString` Source code
`OBConversion_Read__SWIG_0` Source code
`OBConversion_Read__SWIG_1` Source code
`OBConversion_Read` Source code
`OBConversion_RegisterFormat__SWIG_0` Source code
`OBConversion_RegisterFormat__SWIG_1` Source code
`OBConversion_RegisterFormat` Source code
`OBConversion_RegisterOptionParam__SWIG_0` Source code
`OBConversion_RegisterOptionParam__SWIG_1` Source code
`OBConversion_RegisterOptionParam__SWIG_2` Source code
`OBConversion_RegisterOptionParam` Source code
`OBConversion_RemoveOption` Source code
`OBConversion_ReportNumberConverted__SWIG_0` Source code
`OBConversion_ReportNumberConverted__SWIG_1` Source code
`OBConversion_ReportNumberConverted` Source code
`OBConversion_SetAuxConv` Source code
`OBConversion_SetFirstInput__SWIG_0` Source code
`OBConversion_SetFirstInput__SWIG_1` Source code
`OBConversion_SetFirstInput` Source code
`OBConversion_SetInAndOutFormats__SWIG_0` Source code
`OBConversion_SetInAndOutFormats__SWIG_1` Source code
`OBConversion_SetInAndOutFormats` Source code
`OBConversion_SetInFormat__SWIG_0` Source code
`OBConversion_SetInFormat__SWIG_1` Source code
`OBConversion_SetInFormat` Source code
`OBConversion_SetInStream` Source code
`OBConversion_SetLast` Source code
`OBConversion_SetMoreFilesToCome` Source code
`OBConversion_SetOneObjectOnly__SWIG_0` Source code
`OBConversion_SetOneObjectOnly__SWIG_1` Source code
`OBConversion_SetOneObjectOnly` Source code
`OBConversion_SetOptions` Source code
`OBConversion_SetOutFormat__SWIG_0` Source code
`OBConversion_SetOutFormat__SWIG_1` Source code
`OBConversion_SetOutFormat` Source code
`OBConversion_SetOutStream` Source code
`OBConversion_SetOutputIndex` Source code
`OBConversion_WriteFile` Source code
`OBConversion_WriteString__SWIG_0` Source code
`OBConversion_WriteString__SWIG_1` Source code
`OBConversion_WriteString` Source code
`OBConversion_Write__SWIG_0` Source code
`OBConversion_Write__SWIG_1` Source code
`OBConversion_Write` Source code
`OBConversion__SWIG_0` Source code
`OBConversion__SWIG_1` Source code
`OBConversion__SWIG_2` Source code
`OBConversion__SWIG_3` Source code
`OBConversion` Source code
`OBDOSData_GetDensities` Source code
`OBDOSData_GetEnergies` Source code
`OBDOSData_GetFermiEnergy` Source code
`OBDOSData_GetIntegration` Source code
`OBDOSData_SetData` Source code
`OBDOSData` Source code
`OBDescriptor_AddProperties` Source code
`OBDescriptor_Compare__SWIG_0` Source code
`OBDescriptor_Compare__SWIG_1` Source code
`OBDescriptor_Compare` Source code
`OBDescriptor_Default` Source code
`OBDescriptor_DeleteProperties` Source code
`OBDescriptor_Display__SWIG_0` Source code
`OBDescriptor_Display__SWIG_1` Source code
`OBDescriptor_Display` Source code
`OBDescriptor_FilterCompare` Source code
`OBDescriptor_FindType` Source code
`OBDescriptor_GetIdentifier` Source code
`OBDescriptor_GetStringValue__SWIG_0` Source code
`OBDescriptor_GetStringValue__SWIG_1` Source code
`OBDescriptor_GetStringValue` Source code
`OBDescriptor_GetValues` Source code
`OBDescriptor_Order__SWIG_0` Source code
`OBDescriptor_Order__SWIG_1` Source code
`OBDescriptor_Order` Source code
`OBDescriptor_PredictAndSave__SWIG_0` Source code
`OBDescriptor_PredictAndSave__SWIG_1` Source code
`OBDescriptor_PredictAndSave` Source code
`OBDescriptor_Predict__SWIG_0` Source code
`OBDescriptor_Predict__SWIG_1` Source code
`OBDescriptor_Predict` Source code
`OBDescriptor__SWIG_0` Source code
`OBDescriptor__SWIG_1` Source code
`OBDescriptor` Source code
`OBElectronicTransitionData_GetEDipole` Source code
`OBElectronicTransitionData_GetForces` Source code
`OBElectronicTransitionData_GetRotatoryStrengthsLength` Source code
`OBElectronicTransitionData_GetRotatoryStrengthsVelocity` Source code
`OBElectronicTransitionData_GetWavelengths` Source code
`OBElectronicTransitionData_SetData` Source code
`OBElectronicTransitionData_SetEDipole` Source code
`OBElectronicTransitionData_SetRotatoryStrengthsLength` Source code
`OBElectronicTransitionData_SetRotatoryStrengthsVelocity` Source code
`OBElectronicTransitionData` Source code
`OBElementTable_CorrectedBondRad__SWIG_0` Source code
`OBElementTable_CorrectedBondRad__SWIG_1` Source code
`OBElementTable_CorrectedBondRad` Source code
`OBElementTable_CorrectedVdwRad__SWIG_0` Source code
`OBElementTable_CorrectedVdwRad__SWIG_1` Source code
`OBElementTable_CorrectedVdwRad` Source code
`OBElementTable_GetAllredRochowElectroNeg` Source code
`OBElementTable_GetAtomicNum__SWIG_0` Source code
`OBElementTable_GetAtomicNum__SWIG_1` Source code
`OBElementTable_GetAtomicNum__SWIG_2` Source code
`OBElementTable_GetAtomicNum` Source code
`OBElementTable_GetCovalentRad` Source code
`OBElementTable_GetElectroNeg` Source code
`OBElementTable_GetElectronAffinity` Source code
`OBElementTable_GetIonization` Source code
`OBElementTable_GetMass` Source code
`OBElementTable_GetMaxBonds` Source code
`OBElementTable_GetName` Source code
`OBElementTable_GetNumberOfElements` Source code
`OBElementTable_GetRGB` Source code
`OBElementTable_GetSymbol` Source code
`OBElementTable_GetVdwRad` Source code
`OBElementTable` Source code
`OBElement_GetAllredRochowElectroNeg` Source code
`OBElement_GetAtomicNum` Source code
`OBElement_GetBlue` Source code
`OBElement_GetCovalentRad` Source code
`OBElement_GetElectroNeg` Source code
`OBElement_GetElectronAffinity` Source code
`OBElement_GetGreen` Source code
`OBElement_GetIonization` Source code
`OBElement_GetMass` Source code
`OBElement_GetMaxBonds` Source code
`OBElement_GetName` Source code
`OBElement_GetRed` Source code
`OBElement_GetSymbol` Source code
`OBElement_GetVdwRad` Source code
`OBElement__SWIG_0` Source code
`OBElement__SWIG_1` Source code
`OBElement` Source code
`OBError_GetError` Source code
`OBError_GetExplanation` Source code
`OBError_GetLevel` Source code
`OBError_GetMethod` Source code
`OBError_GetPossibleCause` Source code
`OBError_GetSuggestedRemedy` Source code
`OBError__SWIG_0` Source code
`OBError__SWIG_1` Source code
`OBError__SWIG_2` Source code
`OBError__SWIG_3` Source code
`OBError__SWIG_4` Source code
`OBError__SWIG_5` Source code
`OBError__SWIG_6` Source code
`OBError_message` Source code
`OBError` Source code
`OBExternalBondData_GetData` Source code
`OBExternalBondData_SetData` Source code
`OBExternalBondData` Source code
`OBExternalBond_GetAtom` Source code
`OBExternalBond_GetBond` Source code
`OBExternalBond_GetIdx` Source code
`OBExternalBond_SetAtom` Source code
`OBExternalBond_SetBond` Source code
`OBExternalBond_SetIdx` Source code
`OBExternalBond__SWIG_0` Source code
`OBExternalBond__SWIG_1` Source code
`OBExternalBond__SWIG_2` Source code
`OBExternalBond` Source code
`OBFFCalculation2_SetupPointers` Source code
`OBFFCalculation2_a_get` Source code
`OBFFCalculation2_a_set` Source code
`OBFFCalculation2_b_get` Source code
`OBFFCalculation2_b_set` Source code
`OBFFCalculation2_energy_get` Source code
`OBFFCalculation2_energy_set` Source code
`OBFFCalculation2_force_a_get` Source code
`OBFFCalculation2_force_a_set` Source code
`OBFFCalculation2_force_b_get` Source code
`OBFFCalculation2_force_b_set` Source code
`OBFFCalculation2_idx_a_get` Source code
`OBFFCalculation2_idx_a_set` Source code
`OBFFCalculation2_idx_b_get` Source code
`OBFFCalculation2_idx_b_set` Source code
`OBFFCalculation2_pos_a_get` Source code
`OBFFCalculation2_pos_a_set` Source code
`OBFFCalculation2_pos_b_get` Source code
`OBFFCalculation2_pos_b_set` Source code
`OBFFCalculation2` Source code
`OBFFCalculation3_c_get` Source code
`OBFFCalculation3_c_set` Source code
`OBFFCalculation3_force_c_get` Source code
`OBFFCalculation3_force_c_set` Source code
`OBFFCalculation3_idx_c_get` Source code
`OBFFCalculation3_idx_c_set` Source code
`OBFFCalculation3_pos_c_get` Source code
`OBFFCalculation3_pos_c_set` Source code
`OBFFCalculation3` Source code
`OBFFCalculation4_d_get` Source code
`OBFFCalculation4_d_set` Source code
`OBFFCalculation4_force_d_get` Source code
`OBFFCalculation4_force_d_set` Source code
`OBFFCalculation4_idx_d_get` Source code
`OBFFCalculation4_idx_d_set` Source code
`OBFFCalculation4_pos_d_get` Source code
`OBFFCalculation4_pos_d_set` Source code
`OBFFCalculation4` Source code
`OBFFConstraint_GetGradient` Source code
`OBFFConstraint_a_get` Source code
`OBFFConstraint_a_set` Source code
`OBFFConstraint_b_get` Source code
`OBFFConstraint_b_set` Source code
`OBFFConstraint_c_get` Source code
`OBFFConstraint_c_set` Source code
`OBFFConstraint_constraint_value_get` Source code
`OBFFConstraint_constraint_value_set` Source code
`OBFFConstraint_d_get` Source code
`OBFFConstraint_d_set` Source code
`OBFFConstraint_factor_get` Source code
`OBFFConstraint_factor_set` Source code
`OBFFConstraint_grada_get` Source code
`OBFFConstraint_grada_set` Source code
`OBFFConstraint_gradb_get` Source code
`OBFFConstraint_gradb_set` Source code
`OBFFConstraint_gradc_get` Source code
`OBFFConstraint_gradc_set` Source code
`OBFFConstraint_gradd_get` Source code
`OBFFConstraint_gradd_set` Source code
`OBFFConstraint_ia_get` Source code
`OBFFConstraint_ia_set` Source code
`OBFFConstraint_ib_get` Source code
`OBFFConstraint_ib_set` Source code
`OBFFConstraint_ic_get` Source code
`OBFFConstraint_ic_set` Source code
`OBFFConstraint_id_get` Source code
`OBFFConstraint_id_set` Source code
`OBFFConstraint_rab0_get` Source code
`OBFFConstraint_rab0_set` Source code
`OBFFConstraint_rbc0_get` Source code
`OBFFConstraint_rbc0_set` Source code
`OBFFConstraint_type_get` Source code
`OBFFConstraint_type_set` Source code
`OBFFConstraint` Source code
`OBFFConstraints_AddAngleConstraint` Source code
`OBFFConstraints_AddAtomConstraint` Source code
`OBFFConstraints_AddAtomXConstraint` Source code
`OBFFConstraints_AddAtomYConstraint` Source code
`OBFFConstraints_AddAtomZConstraint` Source code
`OBFFConstraints_AddDistanceConstraint` Source code
`OBFFConstraints_AddIgnore` Source code
`OBFFConstraints_AddTorsionConstraint` Source code
`OBFFConstraints_Clear` Source code
`OBFFConstraints_DeleteConstraint` Source code
`OBFFConstraints_GetConstraintAtomA` Source code
`OBFFConstraints_GetConstraintAtomB` Source code
`OBFFConstraints_GetConstraintAtomC` Source code
`OBFFConstraints_GetConstraintAtomD` Source code
`OBFFConstraints_GetConstraintEnergy` Source code
`OBFFConstraints_GetConstraintType` Source code
`OBFFConstraints_GetConstraintValue` Source code
`OBFFConstraints_GetFactor` Source code
`OBFFConstraints_GetFixedBitVec` Source code
`OBFFConstraints_GetGradient` Source code
`OBFFConstraints_GetIgnoredBitVec` Source code
`OBFFConstraints_IsFixed` Source code
`OBFFConstraints_IsIgnored` Source code
`OBFFConstraints_IsXFixed` Source code
`OBFFConstraints_IsYFixed` Source code
`OBFFConstraints_IsZFixed` Source code
`OBFFConstraints_SetFactor` Source code
`OBFFConstraints_Setup` Source code
`OBFFConstraints_Size` Source code
`OBFFConstraints` Source code
`OBFFParameter__a_get` Source code
`OBFFParameter__a_set` Source code
`OBFFParameter__b_get` Source code
`OBFFParameter__b_set` Source code
`OBFFParameter__c_get` Source code
`OBFFParameter__c_set` Source code
`OBFFParameter__d_get` Source code
`OBFFParameter__d_set` Source code
`OBFFParameter__dpar_get` Source code
`OBFFParameter__dpar_set` Source code
`OBFFParameter__ipar_get` Source code
`OBFFParameter__ipar_set` Source code
`OBFFParameter_a_get` Source code
`OBFFParameter_a_set` Source code
`OBFFParameter_b_get` Source code
`OBFFParameter_b_set` Source code
`OBFFParameter_c_get` Source code
`OBFFParameter_c_set` Source code
`OBFFParameter_clear` Source code
`OBFFParameter_d_get` Source code
`OBFFParameter_d_set` Source code
`OBFFParameter` Source code
`OBFingerprint_Default` Source code
`OBFingerprint_DescribeBits__SWIG_0` Source code
`OBFingerprint_DescribeBits__SWIG_1` Source code
`OBFingerprint_DescribeBits` Source code
`OBFingerprint_FindFingerprint` Source code
`OBFingerprint_FindType` Source code
`OBFingerprint_Flags` Source code
`OBFingerprint_Fold` Source code
`OBFingerprint_GetBit` Source code
`OBFingerprint_GetFingerprint__SWIG_0` Source code
`OBFingerprint_GetFingerprint__SWIG_1` Source code
`OBFingerprint_GetFingerprint` Source code
`OBFingerprint_Getbitsperint` Source code
`OBFingerprint_SetBit` Source code
`OBFingerprint_SetFlags` Source code
`OBFingerprint_Tanimoto__SWIG_0` Source code
`OBFingerprint_Tanimoto__SWIG_1` Source code
`OBFingerprint_Tanimoto` Source code
`OBForceField_AddInterGroup` Source code
`OBForceField_AddInterGroups` Source code
`OBForceField_AddIntraGroup` Source code
`OBForceField_ClearGroups` Source code
`OBForceField_ConjugateGradientsInitialize__SWIG_0` Source code
`OBForceField_ConjugateGradientsInitialize__SWIG_1` Source code
`OBForceField_ConjugateGradientsInitialize__SWIG_2` Source code
`OBForceField_ConjugateGradientsInitialize__SWIG_3` Source code
`OBForceField_ConjugateGradientsInitialize` Source code
`OBForceField_ConjugateGradientsTakeNSteps` Source code
`OBForceField_ConjugateGradients__SWIG_0` Source code
`OBForceField_ConjugateGradients__SWIG_1` Source code
`OBForceField_ConjugateGradients__SWIG_2` Source code
`OBForceField_ConjugateGradients` Source code
`OBForceField_CorrectVelocities` Source code
`OBForceField_Default` Source code
`OBForceField_DetectExplosion` Source code
`OBForceField_DistanceGeometry` Source code
`OBForceField_E_Angle__SWIG_0` Source code
`OBForceField_E_Angle__SWIG_1` Source code
`OBForceField_E_Angle` Source code
`OBForceField_E_Bond__SWIG_0` Source code
`OBForceField_E_Bond__SWIG_1` Source code
`OBForceField_E_Bond` Source code
`OBForceField_E_Electrostatic__SWIG_0` Source code
`OBForceField_E_Electrostatic__SWIG_1` Source code
`OBForceField_E_Electrostatic` Source code
`OBForceField_E_OOP__SWIG_0` Source code
`OBForceField_E_OOP__SWIG_1` Source code
`OBForceField_E_OOP` Source code
`OBForceField_E_StrBnd__SWIG_0` Source code
`OBForceField_E_StrBnd__SWIG_1` Source code
`OBForceField_E_StrBnd` Source code
`OBForceField_E_Torsion__SWIG_0` Source code
`OBForceField_E_Torsion__SWIG_1` Source code
`OBForceField_E_Torsion` Source code
`OBForceField_E_VDW__SWIG_0` Source code
`OBForceField_E_VDW__SWIG_1` Source code
`OBForceField_E_VDW` Source code
`OBForceField_EnableAllPairs` Source code
`OBForceField_EnableCutOff` Source code
`OBForceField_Energy__SWIG_0` Source code
`OBForceField_Energy__SWIG_1` Source code
`OBForceField_Energy` Source code
`OBForceField_FindForceField__SWIG_0` Source code
`OBForceField_FindForceField__SWIG_1` Source code
`OBForceField_FindForceField` Source code
`OBForceField_FindType` Source code
`OBForceField_GenerateVelocities` Source code
`OBForceField_GetAtomTypes` Source code
`OBForceField_GetConformers` Source code
`OBForceField_GetConstraints` Source code
`OBForceField_GetCoordinates` Source code
`OBForceField_GetElectrostaticCutOff` Source code
`OBForceField_GetGrid` Source code
`OBForceField_GetLineSearchType` Source code
`OBForceField_GetLogLevel` Source code
`OBForceField_GetNumPairs` Source code
`OBForceField_GetPartialCharges` Source code
`OBForceField_GetUnit` Source code
`OBForceField_GetUpdateFrequency` Source code
`OBForceField_GetVDWCutOff` Source code
`OBForceField_HasAnalyticalGradients` Source code
`OBForceField_HasGroups` Source code
`OBForceField_IgnoreCalculation__SWIG_0` Source code
`OBForceField_IgnoreCalculation__SWIG_1` Source code
`OBForceField_IgnoreCalculation__SWIG_2` Source code
`OBForceField_IgnoreCalculation` Source code
`OBForceField_IsCutOffEnabled` Source code
`OBForceField_IsSetupNeeded` Source code
`OBForceField_LineSearchTakeStep` Source code
`OBForceField_LineSearch__SWIG_0` Source code
`OBForceField_LineSearch__SWIG_1` Source code
`OBForceField_LineSearch` Source code
`OBForceField_MakeNewInstance` Source code
`OBForceField_MolecularDynamicsTakeNSteps__SWIG_0` Source code
`OBForceField_MolecularDynamicsTakeNSteps__SWIG_1` Source code
`OBForceField_MolecularDynamicsTakeNSteps__SWIG_2` Source code
`OBForceField_MolecularDynamicsTakeNSteps` Source code
`OBForceField_Newton2NumLineSearch` Source code
`OBForceField_OBFFLog__SWIG_0` Source code
`OBForceField_OBFFLog__SWIG_1` Source code
`OBForceField_OBFFLog` Source code
`OBForceField_ParseParamFile` Source code
`OBForceField_PrintFormalCharges` Source code
`OBForceField_PrintPartialCharges` Source code
`OBForceField_PrintTypes` Source code
`OBForceField_PrintVector` Source code
`OBForceField_PrintVelocities` Source code
`OBForceField_RandomRotorSearchInitialize__SWIG_0` Source code
`OBForceField_RandomRotorSearchInitialize__SWIG_1` Source code
`OBForceField_RandomRotorSearchInitialize` Source code
`OBForceField_RandomRotorSearchNextConformer__SWIG_0` Source code
`OBForceField_RandomRotorSearchNextConformer__SWIG_1` Source code
`OBForceField_RandomRotorSearchNextConformer` Source code
`OBForceField_RandomRotorSearch__SWIG_0` Source code
`OBForceField_RandomRotorSearch__SWIG_1` Source code
`OBForceField_RandomRotorSearch` Source code
`OBForceField_SetConformers` Source code
`OBForceField_SetConstraints` Source code
`OBForceField_SetCoordinates` Source code
`OBForceField_SetElectrostaticCutOff` Source code
`OBForceField_SetFixAtom` Source code
`OBForceField_SetFormalCharges` Source code
`OBForceField_SetIgnoreAtom` Source code
`OBForceField_SetLineSearchType` Source code
`OBForceField_SetLogFile` Source code
`OBForceField_SetLogLevel` Source code
`OBForceField_SetParameterFile` Source code
`OBForceField_SetPartialCharges` Source code
`OBForceField_SetTypes` Source code
`OBForceField_SetUpdateFrequency` Source code
`OBForceField_SetVDWCutOff` Source code
`OBForceField_SetupCalculations` Source code
`OBForceField_SetupPointers` Source code
`OBForceField_Setup__SWIG_0` Source code
`OBForceField_Setup__SWIG_1` Source code
`OBForceField_Setup` Source code
`OBForceField_SteepestDescentInitialize__SWIG_0` Source code
`OBForceField_SteepestDescentInitialize__SWIG_1` Source code
`OBForceField_SteepestDescentInitialize__SWIG_2` Source code
`OBForceField_SteepestDescentInitialize__SWIG_3` Source code
`OBForceField_SteepestDescentInitialize` Source code
`OBForceField_SteepestDescentTakeNSteps` Source code
`OBForceField_SteepestDescent__SWIG_0` Source code
`OBForceField_SteepestDescent__SWIG_1` Source code
`OBForceField_SteepestDescent__SWIG_2` Source code
`OBForceField_SteepestDescent` Source code
`OBForceField_SystematicRotorSearchInitialize__SWIG_0` Source code
`OBForceField_SystematicRotorSearchInitialize__SWIG_1` Source code
`OBForceField_SystematicRotorSearchInitialize` Source code
`OBForceField_SystematicRotorSearchNextConformer__SWIG_0` Source code
`OBForceField_SystematicRotorSearchNextConformer__SWIG_1` Source code
`OBForceField_SystematicRotorSearchNextConformer` Source code
`OBForceField_SystematicRotorSearch__SWIG_0` Source code
`OBForceField_SystematicRotorSearch__SWIG_1` Source code
`OBForceField_SystematicRotorSearch` Source code
`OBForceField_UnsetFixAtom` Source code
`OBForceField_UnsetIgnoreAtom` Source code
`OBForceField_UpdateConformers` Source code
`OBForceField_UpdateCoordinates` Source code
`OBForceField_UpdatePairsSimple` Source code
`OBForceField_ValidateConjugateGradients` Source code
`OBForceField_ValidateGradientError` Source code
`OBForceField_ValidateGradients` Source code
`OBForceField_ValidateLineSearch` Source code
`OBForceField_ValidateSteepestDescent` Source code
`OBForceField_Validate` Source code
`OBForceField_VectorAdd` Source code
`OBForceField_VectorAngleDerivative__SWIG_0` Source code
`OBForceField_VectorAngleDerivative__SWIG_1` Source code
`OBForceField_VectorAngleDerivative` Source code
`OBForceField_VectorAngle` Source code
`OBForceField_VectorBondDerivative` Source code
`OBForceField_VectorClear` Source code
`OBForceField_VectorCopy` Source code
`OBForceField_VectorCross` Source code
`OBForceField_VectorDistanceDerivative` Source code
`OBForceField_VectorDistance` Source code
`OBForceField_VectorDivide` Source code
`OBForceField_VectorDot` Source code
`OBForceField_VectorLengthDerivative` Source code
`OBForceField_VectorLength` Source code
`OBForceField_VectorMultiply` Source code
`OBForceField_VectorNormalize` Source code
`OBForceField_VectorOOPDerivative__SWIG_0` Source code
`OBForceField_VectorOOPDerivative__SWIG_1` Source code
`OBForceField_VectorOOPDerivative` Source code
`OBForceField_VectorOOP` Source code
`OBForceField_VectorSelfMultiply` Source code
`OBForceField_VectorSubtract` Source code
`OBForceField_VectorTorsionDerivative__SWIG_0` Source code
`OBForceField_VectorTorsionDerivative__SWIG_1` Source code
`OBForceField_VectorTorsionDerivative` Source code
`OBForceField_VectorTorsion` Source code
`OBForceField_WeightedRotorSearch` Source code
`OBFormat_Default` Source code
`OBFormat_Display__SWIG_0` Source code
`OBFormat_Display__SWIG_1` Source code
`OBFormat_Display` Source code
`OBFormat_FindType` Source code
`OBFormat_Flags` Source code
`OBFormat_FormatFromMIME` Source code
`OBFormat_GetMIMEType` Source code
`OBFormat_GetType` Source code
`OBFormat_MakeNewInstance` Source code
`OBFormat_ReadChemObject` Source code
`OBFormat_ReadMolecule` Source code
`OBFormat_RegisterFormat__SWIG_0` Source code
`OBFormat_RegisterFormat__SWIG_1` Source code
`OBFormat_RegisterFormat` Source code
`OBFormat_SkipObjects` Source code
`OBFormat_SpecificationURL` Source code
`OBFormat_TargetClassDescription` Source code
`OBFormat_WriteChemObject` Source code
`OBFormat_WriteMolecule` Source code
`OBGenericData_Clone` Source code
`OBGenericData_GetAttribute` Source code
`OBGenericData_GetDataType` Source code
`OBGenericData_GetOrigin` Source code
`OBGenericData_GetValue` Source code
`OBGenericData_SetAttribute` Source code
`OBGenericData_SetOrigin` Source code
`OBGenericData__SWIG_0` Source code
`OBGenericData__SWIG_1` Source code
`OBGenericData__SWIG_2` Source code
`OBGenericData__SWIG_3` Source code
`OBGenericData` Source code
`OBGlobalDataBase_GetSize` Source code
`OBGlobalDataBase_Init` Source code
`OBGlobalDataBase_ParseLine` Source code
`OBGlobalDataBase_SetEnvironmentVariable` Source code
`OBGlobalDataBase_SetReadDirectory` Source code
`OBGlobalDataBase` Source code
`OBGridData_GetAxes__SWIG_0` Source code
`OBGridData_GetAxes__SWIG_1` Source code
`OBGridData_GetAxes` Source code
`OBGridData_GetMaxValue` Source code
`OBGridData_GetMaxVector` Source code
`OBGridData_GetMinValue` Source code
`OBGridData_GetNumSymmetries` Source code
`OBGridData_GetNumberOfPoints__SWIG_0` Source code
`OBGridData_GetNumberOfPoints__SWIG_1` Source code
`OBGridData_GetNumberOfPoints` Source code
`OBGridData_GetNumberOfSteps` Source code
`OBGridData_GetOriginVector__SWIG_0` Source code
`OBGridData_GetOriginVector__SWIG_1` Source code
`OBGridData_GetOriginVector` Source code
`OBGridData_GetUnit` Source code
`OBGridData_GetUnrestricted` Source code
`OBGridData_GetValue__SWIG_0` Source code
`OBGridData_GetValue__SWIG_1` Source code
`OBGridData_GetValue` Source code
`OBGridData_GetValues` Source code
`OBGridData_GetXAxis` Source code
`OBGridData_GetYAxis` Source code
`OBGridData_GetZAxis` Source code
`OBGridData_SetLimits__SWIG_0` Source code
`OBGridData_SetLimits__SWIG_1` Source code
`OBGridData_SetLimits` Source code
`OBGridData_SetNumSymmetries` Source code
`OBGridData_SetNumberOfPoints` Source code
`OBGridData_SetUnit` Source code
`OBGridData_SetUnrestricted` Source code
`OBGridData_SetValue` Source code
`OBGridData_SetValues` Source code
`OBGridData` Source code
`OBInternalCoord__SWIG_0` Source code
`OBInternalCoord__SWIG_1` Source code
`OBInternalCoord__SWIG_2` Source code
`OBInternalCoord__SWIG_3` Source code
`OBInternalCoord__SWIG_4` Source code
`OBInternalCoord__SWIG_5` Source code
`OBInternalCoord__SWIG_6` Source code
`OBInternalCoord__a_get` Source code
`OBInternalCoord__a_set` Source code
`OBInternalCoord__ang_get` Source code
`OBInternalCoord__ang_set` Source code
`OBInternalCoord__b_get` Source code
`OBInternalCoord__b_set` Source code
`OBInternalCoord__c_get` Source code
`OBInternalCoord__c_set` Source code
`OBInternalCoord__dst_get` Source code
`OBInternalCoord__dst_set` Source code
`OBInternalCoord__tor_get` Source code
`OBInternalCoord__tor_set` Source code
`OBInternalCoord` Source code
`OBIsotopeTable_GetExactMass__SWIG_0` Source code
`OBIsotopeTable_GetExactMass__SWIG_1` Source code
`OBIsotopeTable_GetExactMass` Source code
`OBIsotopeTable` Source code
`OBMatrixData_GetData` Source code
`OBMatrixData_SetData` Source code
`OBMatrixData` Source code
`OBMessageHandler_ClearLog` Source code
`OBMessageHandler_GetAuditMessageCount` Source code
`OBMessageHandler_GetDebugMessageCount` Source code
`OBMessageHandler_GetErrorMessageCount` Source code
`OBMessageHandler_GetInfoMessageCount` Source code
`OBMessageHandler_GetMaxLogEntries` Source code
`OBMessageHandler_GetMessageSummary` Source code
`OBMessageHandler_GetMessagesOfLevel` Source code
`OBMessageHandler_GetOutputLevel` Source code
`OBMessageHandler_GetOutputStream` Source code
`OBMessageHandler_GetWarningMessageCount` Source code
`OBMessageHandler_SetMaxLogEntries` Source code
`OBMessageHandler_SetOutputLevel` Source code
`OBMessageHandler_SetOutputStream` Source code
`OBMessageHandler_StartErrorWrap` Source code
`OBMessageHandler_StartLogging` Source code
`OBMessageHandler_StopErrorWrap` Source code
`OBMessageHandler_StopLogging` Source code
`OBMessageHandler_ThrowError__SWIG_0` Source code
`OBMessageHandler_ThrowError__SWIG_1` Source code
`OBMessageHandler_ThrowError__SWIG_2` Source code
`OBMessageHandler_ThrowError__SWIG_3` Source code
`OBMessageHandler_ThrowError__SWIG_4` Source code
`OBMessageHandler_ThrowError` Source code
`OBMessageHandler` Source code
`OBMolAngleIter_HasMore` Source code
`OBMolAngleIter__SWIG_0` Source code
`OBMolAngleIter__SWIG_1` Source code
`OBMolAngleIter__SWIG_2` Source code
`OBMolAngleIter___ref__` Source code
`OBMolAngleIter_inc` Source code
`OBMolAngleIter` Source code
`OBMolAtomBFSIter_AddBond` Source code
`OBMolAtomBFSIter_AddResidue` Source code
`OBMolAtomBFSIter_AverageBondAngle` Source code
`OBMolAtomBFSIter_BOSum` Source code
`OBMolAtomBFSIter_BeginBond` Source code
`OBMolAtomBFSIter_BeginBonds` Source code
`OBMolAtomBFSIter_BeginData` Source code
`OBMolAtomBFSIter_BeginNbrAtom` Source code
`OBMolAtomBFSIter_ClassDescription` Source code
`OBMolAtomBFSIter_ClearBond` Source code
`OBMolAtomBFSIter_ClearCoordPtr` Source code
`OBMolAtomBFSIter_Clear` Source code
`OBMolAtomBFSIter_CloneData` Source code
`OBMolAtomBFSIter_CountBondsOfOrder` Source code
`OBMolAtomBFSIter_CountFreeOxygens` Source code
`OBMolAtomBFSIter_CountRingBonds` Source code
`OBMolAtomBFSIter_CurrentDepth` Source code
`OBMolAtomBFSIter_DataSize` Source code
`OBMolAtomBFSIter_DecrementImplicitValence` Source code
`OBMolAtomBFSIter_DeleteBond` Source code
`OBMolAtomBFSIter_DeleteData__SWIG_0` Source code
`OBMolAtomBFSIter_DeleteData__SWIG_1` Source code
`OBMolAtomBFSIter_DeleteData__SWIG_2` Source code
`OBMolAtomBFSIter_DeleteData__SWIG_3` Source code
`OBMolAtomBFSIter_DeleteData` Source code
`OBMolAtomBFSIter_DeleteResidue` Source code
`OBMolAtomBFSIter_DoTransformations` Source code
`OBMolAtomBFSIter_Duplicate` Source code
`OBMolAtomBFSIter_EndBonds` Source code
`OBMolAtomBFSIter_EndData` Source code
`OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_0` Source code
`OBMolAtomBFSIter_ExplicitHydrogenCount__SWIG_1` Source code
`OBMolAtomBFSIter_ExplicitHydrogenCount` Source code
`OBMolAtomBFSIter_ForceImplH` Source code
`OBMolAtomBFSIter_ForceNoH` Source code
`OBMolAtomBFSIter_GetAllData` Source code
`OBMolAtomBFSIter_GetAngle__SWIG_0` Source code
`OBMolAtomBFSIter_GetAngle__SWIG_1` Source code
`OBMolAtomBFSIter_GetAngle` Source code
`OBMolAtomBFSIter_GetAtomicMass` Source code
`OBMolAtomBFSIter_GetAtomicNum` Source code
`OBMolAtomBFSIter_GetBond` Source code
`OBMolAtomBFSIter_GetCIdx` Source code
`OBMolAtomBFSIter_GetCoordinateIdx` Source code
`OBMolAtomBFSIter_GetCoordinate` Source code
`OBMolAtomBFSIter_GetData__SWIG_0` Source code
`OBMolAtomBFSIter_GetData__SWIG_1` Source code
`OBMolAtomBFSIter_GetData__SWIG_2` Source code
`OBMolAtomBFSIter_GetData__SWIG_3` Source code
`OBMolAtomBFSIter_GetData` Source code
`OBMolAtomBFSIter_GetDistance__SWIG_0` Source code
`OBMolAtomBFSIter_GetDistance__SWIG_1` Source code
`OBMolAtomBFSIter_GetDistance` Source code
`OBMolAtomBFSIter_GetExactMass` Source code
`OBMolAtomBFSIter_GetFormalCharge` Source code
`OBMolAtomBFSIter_GetHeteroValence` Source code
`OBMolAtomBFSIter_GetHvyValence` Source code
`OBMolAtomBFSIter_GetHyb` Source code
`OBMolAtomBFSIter_GetId` Source code
`OBMolAtomBFSIter_GetIdx` Source code
`OBMolAtomBFSIter_GetImplicitValence` Source code
`OBMolAtomBFSIter_GetIndex` Source code
`OBMolAtomBFSIter_GetIsotope` Source code
`OBMolAtomBFSIter_GetNewBondVector` Source code
`OBMolAtomBFSIter_GetNextAtom` Source code
`OBMolAtomBFSIter_GetParent` Source code
`OBMolAtomBFSIter_GetPartialCharge` Source code
`OBMolAtomBFSIter_GetResidue__SWIG_0` Source code
`OBMolAtomBFSIter_GetResidue__SWIG_1` Source code
`OBMolAtomBFSIter_GetResidue` Source code
`OBMolAtomBFSIter_GetSpinMultiplicity` Source code
`OBMolAtomBFSIter_GetTitle__SWIG_0` Source code
`OBMolAtomBFSIter_GetTitle__SWIG_1` Source code
`OBMolAtomBFSIter_GetTitle` Source code
`OBMolAtomBFSIter_GetType` Source code
`OBMolAtomBFSIter_GetValence` Source code
`OBMolAtomBFSIter_GetVector` Source code
`OBMolAtomBFSIter_GetX` Source code
`OBMolAtomBFSIter_GetY` Source code
`OBMolAtomBFSIter_GetZ` Source code
`OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_0` Source code
`OBMolAtomBFSIter_HasAlphaBetaUnsat__SWIG_1` Source code
`OBMolAtomBFSIter_HasAlphaBetaUnsat` Source code
`OBMolAtomBFSIter_HasAromaticBond` Source code
`OBMolAtomBFSIter_HasBondOfOrder` Source code
`OBMolAtomBFSIter_HasChiralVolume` Source code
`OBMolAtomBFSIter_HasChiralitySpecified` Source code
`OBMolAtomBFSIter_HasData__SWIG_0` Source code
`OBMolAtomBFSIter_HasData__SWIG_1` Source code
`OBMolAtomBFSIter_HasData` Source code
`OBMolAtomBFSIter_HasDoubleBond` Source code
`OBMolAtomBFSIter_HasImplHForced` Source code
`OBMolAtomBFSIter_HasMore` Source code
`OBMolAtomBFSIter_HasNoHForced` Source code
`OBMolAtomBFSIter_HasNonSingleBond` Source code
`OBMolAtomBFSIter_HasResidue` Source code
`OBMolAtomBFSIter_HasSingleBond` Source code
`OBMolAtomBFSIter_HtoMethyl` Source code
`OBMolAtomBFSIter_ImplicitHydrogenCount` Source code
`OBMolAtomBFSIter_IncrementImplicitValence` Source code
`OBMolAtomBFSIter_InsertBond` Source code
`OBMolAtomBFSIter_IsAmideNitrogen` Source code
`OBMolAtomBFSIter_IsAntiClockwise` Source code
`OBMolAtomBFSIter_IsAromaticNOxide` Source code
`OBMolAtomBFSIter_IsAromatic` Source code
`OBMolAtomBFSIter_IsAxial` Source code
`OBMolAtomBFSIter_IsCarbon` Source code
`OBMolAtomBFSIter_IsCarboxylOxygen` Source code
`OBMolAtomBFSIter_IsChiral` Source code
`OBMolAtomBFSIter_IsClockwise` Source code
`OBMolAtomBFSIter_IsConnected` Source code
`OBMolAtomBFSIter_IsHbondAcceptor` Source code
`OBMolAtomBFSIter_IsHbondDonorH` Source code
`OBMolAtomBFSIter_IsHbondDonor` Source code
`OBMolAtomBFSIter_IsHeteroatom` Source code
`OBMolAtomBFSIter_IsInRingSize` Source code
`OBMolAtomBFSIter_IsInRing` Source code
`OBMolAtomBFSIter_IsNegativeStereo` Source code
`OBMolAtomBFSIter_IsNitroOxygen` Source code
`OBMolAtomBFSIter_IsNitrogen` Source code
`OBMolAtomBFSIter_IsNonPolarHydrogen` Source code
`OBMolAtomBFSIter_IsNotCorH` Source code
`OBMolAtomBFSIter_IsOneFour` Source code
`OBMolAtomBFSIter_IsOneThree` Source code
`OBMolAtomBFSIter_IsOxygen` Source code
`OBMolAtomBFSIter_IsPhosphateOxygen` Source code
`OBMolAtomBFSIter_IsPhosphorus` Source code
`OBMolAtomBFSIter_IsPolarHydrogen` Source code
`OBMolAtomBFSIter_IsPositiveStereo` Source code
`OBMolAtomBFSIter_IsSulfateOxygen` Source code
`OBMolAtomBFSIter_IsSulfur` Source code
`OBMolAtomBFSIter_KBOSum` Source code
`OBMolAtomBFSIter_MatchesSMARTS` Source code
`OBMolAtomBFSIter_MemberOfRingCount` Source code
`OBMolAtomBFSIter_MemberOfRingSize` Source code
`OBMolAtomBFSIter_NewResidue` Source code
`OBMolAtomBFSIter_NextBond` Source code
`OBMolAtomBFSIter_NextNbrAtom` Source code
`OBMolAtomBFSIter_SetAntiClockwiseStereo` Source code
`OBMolAtomBFSIter_SetAromatic` Source code
`OBMolAtomBFSIter_SetAtomicNum` Source code
`OBMolAtomBFSIter_SetChiral` Source code
`OBMolAtomBFSIter_SetClockwiseStereo` Source code
`OBMolAtomBFSIter_SetCoordPtr` Source code
`OBMolAtomBFSIter_SetFormalCharge` Source code
`OBMolAtomBFSIter_SetHybAndGeom` Source code
`OBMolAtomBFSIter_SetHyb` Source code
`OBMolAtomBFSIter_SetId` Source code
`OBMolAtomBFSIter_SetIdx` Source code
`OBMolAtomBFSIter_SetImplicitValence` Source code
`OBMolAtomBFSIter_SetInRing` Source code
`OBMolAtomBFSIter_SetIsotope` Source code
`OBMolAtomBFSIter_SetNegativeStereo` Source code
`OBMolAtomBFSIter_SetParent` Source code
`OBMolAtomBFSIter_SetPartialCharge` Source code
`OBMolAtomBFSIter_SetPositiveStereo` Source code
`OBMolAtomBFSIter_SetResidue` Source code
`OBMolAtomBFSIter_SetSpinMultiplicity` Source code
`OBMolAtomBFSIter_SetTitle` Source code
`OBMolAtomBFSIter_SetType` Source code
`OBMolAtomBFSIter_SetVector__SWIG_0` Source code
`OBMolAtomBFSIter_SetVector__SWIG_1` Source code
`OBMolAtomBFSIter_SetVector__SWIG_2` Source code
`OBMolAtomBFSIter_SetVector` Source code
`OBMolAtomBFSIter_SmallestBondAngle` Source code
`OBMolAtomBFSIter_UnsetAromatic` Source code
`OBMolAtomBFSIter_UnsetStereo` Source code
`OBMolAtomBFSIter_Visit_get` Source code
`OBMolAtomBFSIter_Visit_set` Source code
`OBMolAtomBFSIter__SWIG_0` Source code
`OBMolAtomBFSIter__SWIG_1` Source code
`OBMolAtomBFSIter__SWIG_2` Source code
`OBMolAtomBFSIter__SWIG_3` Source code
`OBMolAtomBFSIter___deref__` Source code
`OBMolAtomBFSIter___ref__` Source code
`OBMolAtomBFSIter_inc__SWIG_0` Source code
`OBMolAtomBFSIter_inc__SWIG_1` Source code
`OBMolAtomBFSIter_inc` Source code
`OBMolAtomBFSIter_x` Source code
`OBMolAtomBFSIter_y` Source code
`OBMolAtomBFSIter_z` Source code
`OBMolAtomBFSIter` Source code
`OBMolAtomDFSIter_AddBond` Source code
`OBMolAtomDFSIter_AddResidue` Source code
`OBMolAtomDFSIter_AverageBondAngle` Source code
`OBMolAtomDFSIter_BOSum` Source code
`OBMolAtomDFSIter_BeginBond` Source code
`OBMolAtomDFSIter_BeginBonds` Source code
`OBMolAtomDFSIter_BeginData` Source code
`OBMolAtomDFSIter_BeginNbrAtom` Source code
`OBMolAtomDFSIter_ClassDescription` Source code
`OBMolAtomDFSIter_ClearBond` Source code
`OBMolAtomDFSIter_ClearCoordPtr` Source code
`OBMolAtomDFSIter_Clear` Source code
`OBMolAtomDFSIter_CloneData` Source code
`OBMolAtomDFSIter_CountBondsOfOrder` Source code
`OBMolAtomDFSIter_CountFreeOxygens` Source code
`OBMolAtomDFSIter_CountRingBonds` Source code
`OBMolAtomDFSIter_DataSize` Source code
`OBMolAtomDFSIter_DecrementImplicitValence` Source code
`OBMolAtomDFSIter_DeleteBond` Source code
`OBMolAtomDFSIter_DeleteData__SWIG_0` Source code
`OBMolAtomDFSIter_DeleteData__SWIG_1` Source code
`OBMolAtomDFSIter_DeleteData__SWIG_2` Source code
`OBMolAtomDFSIter_DeleteData__SWIG_3` Source code
`OBMolAtomDFSIter_DeleteData` Source code
`OBMolAtomDFSIter_DeleteResidue` Source code
`OBMolAtomDFSIter_DoTransformations` Source code
`OBMolAtomDFSIter_Duplicate` Source code
`OBMolAtomDFSIter_EndBonds` Source code
`OBMolAtomDFSIter_EndData` Source code
`OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_0` Source code
`OBMolAtomDFSIter_ExplicitHydrogenCount__SWIG_1` Source code
`OBMolAtomDFSIter_ExplicitHydrogenCount` Source code
`OBMolAtomDFSIter_ForceImplH` Source code
`OBMolAtomDFSIter_ForceNoH` Source code
`OBMolAtomDFSIter_GetAllData` Source code
`OBMolAtomDFSIter_GetAngle__SWIG_0` Source code
`OBMolAtomDFSIter_GetAngle__SWIG_1` Source code
`OBMolAtomDFSIter_GetAngle` Source code
`OBMolAtomDFSIter_GetAtomicMass` Source code
`OBMolAtomDFSIter_GetAtomicNum` Source code
`OBMolAtomDFSIter_GetBond` Source code
`OBMolAtomDFSIter_GetCIdx` Source code
`OBMolAtomDFSIter_GetCoordinateIdx` Source code
`OBMolAtomDFSIter_GetCoordinate` Source code
`OBMolAtomDFSIter_GetData__SWIG_0` Source code
`OBMolAtomDFSIter_GetData__SWIG_1` Source code
`OBMolAtomDFSIter_GetData__SWIG_2` Source code
`OBMolAtomDFSIter_GetData__SWIG_3` Source code
`OBMolAtomDFSIter_GetData` Source code
`OBMolAtomDFSIter_GetDistance__SWIG_0` Source code
`OBMolAtomDFSIter_GetDistance__SWIG_1` Source code
`OBMolAtomDFSIter_GetDistance` Source code
`OBMolAtomDFSIter_GetExactMass` Source code
`OBMolAtomDFSIter_GetFormalCharge` Source code
`OBMolAtomDFSIter_GetHeteroValence` Source code
`OBMolAtomDFSIter_GetHvyValence` Source code
`OBMolAtomDFSIter_GetHyb` Source code
`OBMolAtomDFSIter_GetId` Source code
`OBMolAtomDFSIter_GetIdx` Source code
`OBMolAtomDFSIter_GetImplicitValence` Source code
`OBMolAtomDFSIter_GetIndex` Source code
`OBMolAtomDFSIter_GetIsotope` Source code
`OBMolAtomDFSIter_GetNewBondVector` Source code
`OBMolAtomDFSIter_GetNextAtom` Source code
`OBMolAtomDFSIter_GetParent` Source code
`OBMolAtomDFSIter_GetPartialCharge` Source code
`OBMolAtomDFSIter_GetResidue__SWIG_0` Source code
`OBMolAtomDFSIter_GetResidue__SWIG_1` Source code
`OBMolAtomDFSIter_GetResidue` Source code
`OBMolAtomDFSIter_GetSpinMultiplicity` Source code
`OBMolAtomDFSIter_GetTitle__SWIG_0` Source code
`OBMolAtomDFSIter_GetTitle__SWIG_1` Source code
`OBMolAtomDFSIter_GetTitle` Source code
`OBMolAtomDFSIter_GetType` Source code
`OBMolAtomDFSIter_GetValence` Source code
`OBMolAtomDFSIter_GetVector` Source code
`OBMolAtomDFSIter_GetX` Source code
`OBMolAtomDFSIter_GetY` Source code
`OBMolAtomDFSIter_GetZ` Source code
`OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_0` Source code
`OBMolAtomDFSIter_HasAlphaBetaUnsat__SWIG_1` Source code
`OBMolAtomDFSIter_HasAlphaBetaUnsat` Source code
`OBMolAtomDFSIter_HasAromaticBond` Source code
`OBMolAtomDFSIter_HasBondOfOrder` Source code
`OBMolAtomDFSIter_HasChiralVolume` Source code
`OBMolAtomDFSIter_HasChiralitySpecified` Source code
`OBMolAtomDFSIter_HasData__SWIG_0` Source code
`OBMolAtomDFSIter_HasData__SWIG_1` Source code
`OBMolAtomDFSIter_HasData` Source code
`OBMolAtomDFSIter_HasDoubleBond` Source code
`OBMolAtomDFSIter_HasImplHForced` Source code
`OBMolAtomDFSIter_HasMore` Source code
`OBMolAtomDFSIter_HasNoHForced` Source code
`OBMolAtomDFSIter_HasNonSingleBond` Source code
`OBMolAtomDFSIter_HasResidue` Source code
`OBMolAtomDFSIter_HasSingleBond` Source code
`OBMolAtomDFSIter_HtoMethyl` Source code
`OBMolAtomDFSIter_ImplicitHydrogenCount` Source code
`OBMolAtomDFSIter_IncrementImplicitValence` Source code
`OBMolAtomDFSIter_InsertBond` Source code
`OBMolAtomDFSIter_IsAmideNitrogen` Source code
`OBMolAtomDFSIter_IsAntiClockwise` Source code
`OBMolAtomDFSIter_IsAromaticNOxide` Source code
`OBMolAtomDFSIter_IsAromatic` Source code
`OBMolAtomDFSIter_IsAxial` Source code
`OBMolAtomDFSIter_IsCarbon` Source code
`OBMolAtomDFSIter_IsCarboxylOxygen` Source code
`OBMolAtomDFSIter_IsChiral` Source code
`OBMolAtomDFSIter_IsClockwise` Source code
`OBMolAtomDFSIter_IsConnected` Source code
`OBMolAtomDFSIter_IsHbondAcceptor` Source code
`OBMolAtomDFSIter_IsHbondDonorH` Source code
`OBMolAtomDFSIter_IsHbondDonor` Source code
`OBMolAtomDFSIter_IsHeteroatom` Source code
`OBMolAtomDFSIter_IsInRingSize` Source code
`OBMolAtomDFSIter_IsInRing` Source code
`OBMolAtomDFSIter_IsNegativeStereo` Source code
`OBMolAtomDFSIter_IsNitroOxygen` Source code
`OBMolAtomDFSIter_IsNitrogen` Source code
`OBMolAtomDFSIter_IsNonPolarHydrogen` Source code
`OBMolAtomDFSIter_IsNotCorH` Source code
`OBMolAtomDFSIter_IsOneFour` Source code
`OBMolAtomDFSIter_IsOneThree` Source code
`OBMolAtomDFSIter_IsOxygen` Source code
`OBMolAtomDFSIter_IsPhosphateOxygen` Source code
`OBMolAtomDFSIter_IsPhosphorus` Source code
`OBMolAtomDFSIter_IsPolarHydrogen` Source code
`OBMolAtomDFSIter_IsPositiveStereo` Source code
`OBMolAtomDFSIter_IsSulfateOxygen` Source code
`OBMolAtomDFSIter_IsSulfur` Source code
`OBMolAtomDFSIter_KBOSum` Source code
`OBMolAtomDFSIter_MatchesSMARTS` Source code
`OBMolAtomDFSIter_MemberOfRingCount` Source code
`OBMolAtomDFSIter_MemberOfRingSize` Source code
`OBMolAtomDFSIter_NewResidue` Source code
`OBMolAtomDFSIter_NextBond` Source code
`OBMolAtomDFSIter_NextNbrAtom` Source code
`OBMolAtomDFSIter_SetAntiClockwiseStereo` Source code
`OBMolAtomDFSIter_SetAromatic` Source code
`OBMolAtomDFSIter_SetAtomicNum` Source code
`OBMolAtomDFSIter_SetChiral` Source code
`OBMolAtomDFSIter_SetClockwiseStereo` Source code
`OBMolAtomDFSIter_SetCoordPtr` Source code
`OBMolAtomDFSIter_SetFormalCharge` Source code
`OBMolAtomDFSIter_SetHybAndGeom` Source code
`OBMolAtomDFSIter_SetHyb` Source code
`OBMolAtomDFSIter_SetId` Source code
`OBMolAtomDFSIter_SetIdx` Source code
`OBMolAtomDFSIter_SetImplicitValence` Source code
`OBMolAtomDFSIter_SetInRing` Source code
`OBMolAtomDFSIter_SetIsotope` Source code
`OBMolAtomDFSIter_SetNegativeStereo` Source code
`OBMolAtomDFSIter_SetParent` Source code
`OBMolAtomDFSIter_SetPartialCharge` Source code
`OBMolAtomDFSIter_SetPositiveStereo` Source code
`OBMolAtomDFSIter_SetResidue` Source code
`OBMolAtomDFSIter_SetSpinMultiplicity` Source code
`OBMolAtomDFSIter_SetTitle` Source code
`OBMolAtomDFSIter_SetType` Source code
`OBMolAtomDFSIter_SetVector__SWIG_0` Source code
`OBMolAtomDFSIter_SetVector__SWIG_1` Source code
`OBMolAtomDFSIter_SetVector__SWIG_2` Source code
`OBMolAtomDFSIter_SetVector` Source code
`OBMolAtomDFSIter_SmallestBondAngle` Source code
`OBMolAtomDFSIter_UnsetAromatic` Source code
`OBMolAtomDFSIter_UnsetStereo` Source code
`OBMolAtomDFSIter_Visit_get` Source code
`OBMolAtomDFSIter_Visit_set` Source code
`OBMolAtomDFSIter__SWIG_0` Source code
`OBMolAtomDFSIter__SWIG_1` Source code
`OBMolAtomDFSIter__SWIG_2` Source code
`OBMolAtomDFSIter__SWIG_3` Source code
`OBMolAtomDFSIter___deref__` Source code
`OBMolAtomDFSIter___ref__` Source code
`OBMolAtomDFSIter__next` Source code
`OBMolAtomDFSIter_inc__SWIG_0` Source code
`OBMolAtomDFSIter_inc__SWIG_1` Source code
`OBMolAtomDFSIter_inc` Source code
`OBMolAtomDFSIter_x` Source code
`OBMolAtomDFSIter_y` Source code
`OBMolAtomDFSIter_z` Source code
`OBMolAtomDFSIter` Source code
`OBMolAtomIter_AddBond` Source code
`OBMolAtomIter_AddResidue` Source code
`OBMolAtomIter_AverageBondAngle` Source code
`OBMolAtomIter_BOSum` Source code
`OBMolAtomIter_BeginBond` Source code
`OBMolAtomIter_BeginBonds` Source code
`OBMolAtomIter_BeginData` Source code
`OBMolAtomIter_BeginNbrAtom` Source code
`OBMolAtomIter_ClassDescription` Source code
`OBMolAtomIter_ClearBond` Source code
`OBMolAtomIter_ClearCoordPtr` Source code
`OBMolAtomIter_Clear` Source code
`OBMolAtomIter_CloneData` Source code
`OBMolAtomIter_CountBondsOfOrder` Source code
`OBMolAtomIter_CountFreeOxygens` Source code
`OBMolAtomIter_CountRingBonds` Source code
`OBMolAtomIter_DataSize` Source code
`OBMolAtomIter_DecrementImplicitValence` Source code
`OBMolAtomIter_DeleteBond` Source code
`OBMolAtomIter_DeleteData__SWIG_0` Source code
`OBMolAtomIter_DeleteData__SWIG_1` Source code
`OBMolAtomIter_DeleteData__SWIG_2` Source code
`OBMolAtomIter_DeleteData__SWIG_3` Source code
`OBMolAtomIter_DeleteData` Source code
`OBMolAtomIter_DeleteResidue` Source code
`OBMolAtomIter_DoTransformations` Source code
`OBMolAtomIter_Duplicate` Source code
`OBMolAtomIter_EndBonds` Source code
`OBMolAtomIter_EndData` Source code
`OBMolAtomIter_ExplicitHydrogenCount__SWIG_0` Source code
`OBMolAtomIter_ExplicitHydrogenCount__SWIG_1` Source code
`OBMolAtomIter_ExplicitHydrogenCount` Source code
`OBMolAtomIter_ForceImplH` Source code
`OBMolAtomIter_ForceNoH` Source code
`OBMolAtomIter_GetAllData` Source code
`OBMolAtomIter_GetAngle__SWIG_0` Source code
`OBMolAtomIter_GetAngle__SWIG_1` Source code
`OBMolAtomIter_GetAngle` Source code
`OBMolAtomIter_GetAtomicMass` Source code
`OBMolAtomIter_GetAtomicNum` Source code
`OBMolAtomIter_GetBond` Source code
`OBMolAtomIter_GetCIdx` Source code
`OBMolAtomIter_GetCoordinateIdx` Source code
`OBMolAtomIter_GetCoordinate` Source code
`OBMolAtomIter_GetData__SWIG_0` Source code
`OBMolAtomIter_GetData__SWIG_1` Source code
`OBMolAtomIter_GetData__SWIG_2` Source code
`OBMolAtomIter_GetData__SWIG_3` Source code
`OBMolAtomIter_GetData` Source code
`OBMolAtomIter_GetDistance__SWIG_0` Source code
`OBMolAtomIter_GetDistance__SWIG_1` Source code
`OBMolAtomIter_GetDistance` Source code
`OBMolAtomIter_GetExactMass` Source code
`OBMolAtomIter_GetFormalCharge` Source code
`OBMolAtomIter_GetHeteroValence` Source code
`OBMolAtomIter_GetHvyValence` Source code
`OBMolAtomIter_GetHyb` Source code
`OBMolAtomIter_GetId` Source code
`OBMolAtomIter_GetIdx` Source code
`OBMolAtomIter_GetImplicitValence` Source code
`OBMolAtomIter_GetIndex` Source code
`OBMolAtomIter_GetIsotope` Source code
`OBMolAtomIter_GetNewBondVector` Source code
`OBMolAtomIter_GetNextAtom` Source code
`OBMolAtomIter_GetParent` Source code
`OBMolAtomIter_GetPartialCharge` Source code
`OBMolAtomIter_GetResidue__SWIG_0` Source code
`OBMolAtomIter_GetResidue__SWIG_1` Source code
`OBMolAtomIter_GetResidue` Source code
`OBMolAtomIter_GetSpinMultiplicity` Source code
`OBMolAtomIter_GetTitle__SWIG_0` Source code
`OBMolAtomIter_GetTitle__SWIG_1` Source code
`OBMolAtomIter_GetTitle` Source code
`OBMolAtomIter_GetType` Source code
`OBMolAtomIter_GetValence` Source code
`OBMolAtomIter_GetVector` Source code
`OBMolAtomIter_GetX` Source code
`OBMolAtomIter_GetY` Source code
`OBMolAtomIter_GetZ` Source code
`OBMolAtomIter_HasAlphaBetaUnsat__SWIG_0` Source code
`OBMolAtomIter_HasAlphaBetaUnsat__SWIG_1` Source code
`OBMolAtomIter_HasAlphaBetaUnsat` Source code
`OBMolAtomIter_HasAromaticBond` Source code
`OBMolAtomIter_HasBondOfOrder` Source code
`OBMolAtomIter_HasChiralVolume` Source code
`OBMolAtomIter_HasChiralitySpecified` Source code
`OBMolAtomIter_HasData__SWIG_0` Source code
`OBMolAtomIter_HasData__SWIG_1` Source code
`OBMolAtomIter_HasData` Source code
`OBMolAtomIter_HasDoubleBond` Source code
`OBMolAtomIter_HasImplHForced` Source code
`OBMolAtomIter_HasMore` Source code
`OBMolAtomIter_HasNoHForced` Source code
`OBMolAtomIter_HasNonSingleBond` Source code
`OBMolAtomIter_HasResidue` Source code
`OBMolAtomIter_HasSingleBond` Source code
`OBMolAtomIter_HtoMethyl` Source code
`OBMolAtomIter_ImplicitHydrogenCount` Source code
`OBMolAtomIter_IncrementImplicitValence` Source code
`OBMolAtomIter_InsertBond` Source code
`OBMolAtomIter_IsAmideNitrogen` Source code
`OBMolAtomIter_IsAntiClockwise` Source code
`OBMolAtomIter_IsAromaticNOxide` Source code
`OBMolAtomIter_IsAromatic` Source code
`OBMolAtomIter_IsAxial` Source code
`OBMolAtomIter_IsCarbon` Source code
`OBMolAtomIter_IsCarboxylOxygen` Source code
`OBMolAtomIter_IsChiral` Source code
`OBMolAtomIter_IsClockwise` Source code
`OBMolAtomIter_IsConnected` Source code
`OBMolAtomIter_IsHbondAcceptor` Source code
`OBMolAtomIter_IsHbondDonorH` Source code
`OBMolAtomIter_IsHbondDonor` Source code
`OBMolAtomIter_IsHeteroatom` Source code
`OBMolAtomIter_IsInRingSize` Source code
`OBMolAtomIter_IsInRing` Source code
`OBMolAtomIter_IsNegativeStereo` Source code
`OBMolAtomIter_IsNitroOxygen` Source code
`OBMolAtomIter_IsNitrogen` Source code
`OBMolAtomIter_IsNonPolarHydrogen` Source code
`OBMolAtomIter_IsNotCorH` Source code
`OBMolAtomIter_IsOneFour` Source code
`OBMolAtomIter_IsOneThree` Source code
`OBMolAtomIter_IsOxygen` Source code
`OBMolAtomIter_IsPhosphateOxygen` Source code
`OBMolAtomIter_IsPhosphorus` Source code
`OBMolAtomIter_IsPolarHydrogen` Source code
`OBMolAtomIter_IsPositiveStereo` Source code
`OBMolAtomIter_IsSulfateOxygen` Source code
`OBMolAtomIter_IsSulfur` Source code
`OBMolAtomIter_KBOSum` Source code
`OBMolAtomIter_MatchesSMARTS` Source code
`OBMolAtomIter_MemberOfRingCount` Source code
`OBMolAtomIter_MemberOfRingSize` Source code
`OBMolAtomIter_NewResidue` Source code
`OBMolAtomIter_NextBond` Source code
`OBMolAtomIter_NextNbrAtom` Source code
`OBMolAtomIter_SetAntiClockwiseStereo` Source code
`OBMolAtomIter_SetAromatic` Source code
`OBMolAtomIter_SetAtomicNum` Source code
`OBMolAtomIter_SetChiral` Source code
`OBMolAtomIter_SetClockwiseStereo` Source code
`OBMolAtomIter_SetCoordPtr` Source code
`OBMolAtomIter_SetFormalCharge` Source code
`OBMolAtomIter_SetHybAndGeom` Source code
`OBMolAtomIter_SetHyb` Source code
`OBMolAtomIter_SetId` Source code
`OBMolAtomIter_SetIdx` Source code
`OBMolAtomIter_SetImplicitValence` Source code
`OBMolAtomIter_SetInRing` Source code
`OBMolAtomIter_SetIsotope` Source code
`OBMolAtomIter_SetNegativeStereo` Source code
`OBMolAtomIter_SetParent` Source code
`OBMolAtomIter_SetPartialCharge` Source code
`OBMolAtomIter_SetPositiveStereo` Source code
`OBMolAtomIter_SetResidue` Source code
`OBMolAtomIter_SetSpinMultiplicity` Source code
`OBMolAtomIter_SetTitle` Source code
`OBMolAtomIter_SetType` Source code
`OBMolAtomIter_SetVector__SWIG_0` Source code
`OBMolAtomIter_SetVector__SWIG_1` Source code
`OBMolAtomIter_SetVector__SWIG_2` Source code
`OBMolAtomIter_SetVector` Source code
`OBMolAtomIter_SmallestBondAngle` Source code
`OBMolAtomIter_UnsetAromatic` Source code
`OBMolAtomIter_UnsetStereo` Source code
`OBMolAtomIter_Visit_get` Source code
`OBMolAtomIter_Visit_set` Source code
`OBMolAtomIter__SWIG_0` Source code
`OBMolAtomIter__SWIG_1` Source code
`OBMolAtomIter__SWIG_2` Source code
`OBMolAtomIter___deref__` Source code
`OBMolAtomIter___ref__` Source code
`OBMolAtomIter_inc__SWIG_0` Source code
`OBMolAtomIter_inc__SWIG_1` Source code
`OBMolAtomIter_inc` Source code
`OBMolAtomIter_x` Source code
`OBMolAtomIter_y` Source code
`OBMolAtomIter_z` Source code
`OBMolAtomIter` Source code
`OBMolBondBFSIter_BeginData` Source code
`OBMolBondBFSIter_ClassDescription` Source code
`OBMolBondBFSIter_Clear` Source code
`OBMolBondBFSIter_CloneData` Source code
`OBMolBondBFSIter_CurrentDepth` Source code
`OBMolBondBFSIter_DataSize` Source code
`OBMolBondBFSIter_DeleteData__SWIG_0` Source code
`OBMolBondBFSIter_DeleteData__SWIG_1` Source code
`OBMolBondBFSIter_DeleteData__SWIG_2` Source code
`OBMolBondBFSIter_DeleteData__SWIG_3` Source code
`OBMolBondBFSIter_DeleteData` Source code
`OBMolBondBFSIter_DoTransformations` Source code
`OBMolBondBFSIter_EndData` Source code
`OBMolBondBFSIter_FindSmallestRing` Source code
`OBMolBondBFSIter_GetAllData` Source code
`OBMolBondBFSIter_GetBO` Source code
`OBMolBondBFSIter_GetBeginAtomIdx` Source code
`OBMolBondBFSIter_GetBeginAtom` Source code
`OBMolBondBFSIter_GetBondOrder` Source code
`OBMolBondBFSIter_GetData__SWIG_0` Source code
`OBMolBondBFSIter_GetData__SWIG_1` Source code
`OBMolBondBFSIter_GetData__SWIG_2` Source code
`OBMolBondBFSIter_GetData__SWIG_3` Source code
`OBMolBondBFSIter_GetData` Source code
`OBMolBondBFSIter_GetEndAtomIdx` Source code
`OBMolBondBFSIter_GetEndAtom` Source code
`OBMolBondBFSIter_GetEquibLength` Source code
`OBMolBondBFSIter_GetFlags` Source code
`OBMolBondBFSIter_GetId` Source code
`OBMolBondBFSIter_GetIdx` Source code
`OBMolBondBFSIter_GetLength` Source code
`OBMolBondBFSIter_GetNbrAtomIdx` Source code
`OBMolBondBFSIter_GetNbrAtom` Source code
`OBMolBondBFSIter_GetParent` Source code
`OBMolBondBFSIter_GetTitle__SWIG_0` Source code
`OBMolBondBFSIter_GetTitle__SWIG_1` Source code
`OBMolBondBFSIter_GetTitle` Source code
`OBMolBondBFSIter_HasData__SWIG_0` Source code
`OBMolBondBFSIter_HasData__SWIG_1` Source code
`OBMolBondBFSIter_HasData` Source code
`OBMolBondBFSIter_IsAmide` Source code
`OBMolBondBFSIter_IsAromatic` Source code
`OBMolBondBFSIter_IsCarbonyl` Source code
`OBMolBondBFSIter_IsCisOrTrans` Source code
`OBMolBondBFSIter_IsClosure` Source code
`OBMolBondBFSIter_IsDoubleBondGeometry` Source code
`OBMolBondBFSIter_IsDouble` Source code
`OBMolBondBFSIter_IsDown` Source code
`OBMolBondBFSIter_IsEster` Source code
`OBMolBondBFSIter_IsHash` Source code
`OBMolBondBFSIter_IsInRing` Source code
`OBMolBondBFSIter_IsKDouble` Source code
`OBMolBondBFSIter_IsKSingle` Source code
`OBMolBondBFSIter_IsKTriple` Source code
`OBMolBondBFSIter_IsPrimaryAmide` Source code
`OBMolBondBFSIter_IsRotor` Source code
`OBMolBondBFSIter_IsSecondaryAmide` Source code
`OBMolBondBFSIter_IsSingle` Source code
`OBMolBondBFSIter_IsTertiaryAmide` Source code
`OBMolBondBFSIter_IsTriple` Source code
`OBMolBondBFSIter_IsUp` Source code
`OBMolBondBFSIter_IsWedgeOrHash` Source code
`OBMolBondBFSIter_IsWedge` Source code
`OBMolBondBFSIter_SetAromatic` Source code
`OBMolBondBFSIter_SetBO` Source code
`OBMolBondBFSIter_SetBegin` Source code
`OBMolBondBFSIter_SetBondOrder` Source code
`OBMolBondBFSIter_SetClosure` Source code
`OBMolBondBFSIter_SetDown` Source code
`OBMolBondBFSIter_SetEnd` Source code
`OBMolBondBFSIter_SetHash` Source code
`OBMolBondBFSIter_SetId` Source code
`OBMolBondBFSIter_SetIdx` Source code
`OBMolBondBFSIter_SetInRing__SWIG_0` Source code
`OBMolBondBFSIter_SetInRing__SWIG_1` Source code
`OBMolBondBFSIter_SetInRing` Source code
`OBMolBondBFSIter_SetKDouble` Source code
`OBMolBondBFSIter_SetKSingle` Source code
`OBMolBondBFSIter_SetKTriple` Source code
`OBMolBondBFSIter_SetLength__SWIG_0` Source code
`OBMolBondBFSIter_SetLength__SWIG_1` Source code
`OBMolBondBFSIter_SetLength` Source code
`OBMolBondBFSIter_SetParent` Source code
`OBMolBondBFSIter_SetTitle` Source code
`OBMolBondBFSIter_SetUp` Source code
`OBMolBondBFSIter_SetWedgeOrHash` Source code
`OBMolBondBFSIter_SetWedge` Source code
`OBMolBondBFSIter_Set` Source code
`OBMolBondBFSIter_UnsetAromatic` Source code
`OBMolBondBFSIter_UnsetDown` Source code
`OBMolBondBFSIter_UnsetHash` Source code
`OBMolBondBFSIter_UnsetKekule` Source code
`OBMolBondBFSIter_UnsetUp` Source code
`OBMolBondBFSIter_UnsetWedge` Source code
`OBMolBondBFSIter_Visit_get` Source code
`OBMolBondBFSIter_Visit_set` Source code
`OBMolBondBFSIter__SWIG_0` Source code
`OBMolBondBFSIter__SWIG_1` Source code
`OBMolBondBFSIter__SWIG_2` Source code
`OBMolBondBFSIter__SWIG_3` Source code
`OBMolBondBFSIter___deref__` Source code
`OBMolBondBFSIter___ref__` Source code
`OBMolBondBFSIter` Source code
`OBMolBondIter_BeginData` Source code
`OBMolBondIter_ClassDescription` Source code
`OBMolBondIter_Clear` Source code
`OBMolBondIter_CloneData` Source code
`OBMolBondIter_DataSize` Source code
`OBMolBondIter_DeleteData__SWIG_0` Source code
`OBMolBondIter_DeleteData__SWIG_1` Source code
`OBMolBondIter_DeleteData__SWIG_2` Source code
`OBMolBondIter_DeleteData__SWIG_3` Source code
`OBMolBondIter_DeleteData` Source code
`OBMolBondIter_DoTransformations` Source code
`OBMolBondIter_EndData` Source code
`OBMolBondIter_FindSmallestRing` Source code
`OBMolBondIter_GetAllData` Source code
`OBMolBondIter_GetBO` Source code
`OBMolBondIter_GetBeginAtomIdx` Source code
`OBMolBondIter_GetBeginAtom` Source code
`OBMolBondIter_GetBondOrder` Source code
`OBMolBondIter_GetData__SWIG_0` Source code
`OBMolBondIter_GetData__SWIG_1` Source code
`OBMolBondIter_GetData__SWIG_2` Source code
`OBMolBondIter_GetData__SWIG_3` Source code
`OBMolBondIter_GetData` Source code
`OBMolBondIter_GetEndAtomIdx` Source code
`OBMolBondIter_GetEndAtom` Source code
`OBMolBondIter_GetEquibLength` Source code
`OBMolBondIter_GetFlags` Source code
`OBMolBondIter_GetId` Source code
`OBMolBondIter_GetIdx` Source code
`OBMolBondIter_GetLength` Source code
`OBMolBondIter_GetNbrAtomIdx` Source code
`OBMolBondIter_GetNbrAtom` Source code
`OBMolBondIter_GetParent` Source code
`OBMolBondIter_GetTitle__SWIG_0` Source code
`OBMolBondIter_GetTitle__SWIG_1` Source code
`OBMolBondIter_GetTitle` Source code
`OBMolBondIter_HasData__SWIG_0` Source code
`OBMolBondIter_HasData__SWIG_1` Source code
`OBMolBondIter_HasData` Source code
`OBMolBondIter_HasMore` Source code
`OBMolBondIter_IsAmide` Source code
`OBMolBondIter_IsAromatic` Source code
`OBMolBondIter_IsCarbonyl` Source code
`OBMolBondIter_IsCisOrTrans` Source code
`OBMolBondIter_IsClosure` Source code
`OBMolBondIter_IsDoubleBondGeometry` Source code
`OBMolBondIter_IsDouble` Source code
`OBMolBondIter_IsDown` Source code
`OBMolBondIter_IsEster` Source code
`OBMolBondIter_IsHash` Source code
`OBMolBondIter_IsInRing` Source code
`OBMolBondIter_IsKDouble` Source code
`OBMolBondIter_IsKSingle` Source code
`OBMolBondIter_IsKTriple` Source code
`OBMolBondIter_IsPrimaryAmide` Source code
`OBMolBondIter_IsRotor` Source code
`OBMolBondIter_IsSecondaryAmide` Source code
`OBMolBondIter_IsSingle` Source code
`OBMolBondIter_IsTertiaryAmide` Source code
`OBMolBondIter_IsTriple` Source code
`OBMolBondIter_IsUp` Source code
`OBMolBondIter_IsWedgeOrHash` Source code
`OBMolBondIter_IsWedge` Source code
`OBMolBondIter_SetAromatic` Source code
`OBMolBondIter_SetBO` Source code
`OBMolBondIter_SetBegin` Source code
`OBMolBondIter_SetBondOrder` Source code
`OBMolBondIter_SetClosure` Source code
`OBMolBondIter_SetDown` Source code
`OBMolBondIter_SetEnd` Source code
`OBMolBondIter_SetHash` Source code
`OBMolBondIter_SetId` Source code
`OBMolBondIter_SetIdx` Source code
`OBMolBondIter_SetInRing__SWIG_0` Source code
`OBMolBondIter_SetInRing__SWIG_1` Source code
`OBMolBondIter_SetInRing` Source code
`OBMolBondIter_SetKDouble` Source code
`OBMolBondIter_SetKSingle` Source code
`OBMolBondIter_SetKTriple` Source code
`OBMolBondIter_SetLength__SWIG_0` Source code
`OBMolBondIter_SetLength__SWIG_1` Source code
`OBMolBondIter_SetLength` Source code
`OBMolBondIter_SetParent` Source code
`OBMolBondIter_SetTitle` Source code
`OBMolBondIter_SetUp` Source code
`OBMolBondIter_SetWedgeOrHash` Source code
`OBMolBondIter_SetWedge` Source code
`OBMolBondIter_Set` Source code
`OBMolBondIter_UnsetAromatic` Source code
`OBMolBondIter_UnsetDown` Source code
`OBMolBondIter_UnsetHash` Source code
`OBMolBondIter_UnsetKekule` Source code
`OBMolBondIter_UnsetUp` Source code
`OBMolBondIter_UnsetWedge` Source code
`OBMolBondIter_Visit_get` Source code
`OBMolBondIter_Visit_set` Source code
`OBMolBondIter__SWIG_0` Source code
`OBMolBondIter__SWIG_1` Source code
`OBMolBondIter__SWIG_2` Source code
`OBMolBondIter___deref__` Source code
`OBMolBondIter___ref__` Source code
`OBMolBondIter_inc__SWIG_0` Source code
`OBMolBondIter_inc__SWIG_1` Source code
`OBMolBondIter_inc` Source code
`OBMolBondIter` Source code
`OBMolPairIter_HasMore` Source code
`OBMolPairIter__SWIG_0` Source code
`OBMolPairIter__SWIG_1` Source code
`OBMolPairIter__SWIG_2` Source code
`OBMolPairIter___ref__` Source code
`OBMolPairIter_inc` Source code
`OBMolPairIter` Source code
`OBMolRingIter_GetParent` Source code
`OBMolRingIter_GetRootAtom` Source code
`OBMolRingIter_GetType` Source code
`OBMolRingIter_HasMore` Source code
`OBMolRingIter_IsAromatic` Source code
`OBMolRingIter_IsInRing` Source code
`OBMolRingIter_IsMember__SWIG_0` Source code
`OBMolRingIter_IsMember__SWIG_1` Source code
`OBMolRingIter_IsMember` Source code
`OBMolRingIter_PathSize` Source code
`OBMolRingIter_SetParent` Source code
`OBMolRingIter_SetType__SWIG_0` Source code
`OBMolRingIter_SetType__SWIG_1` Source code
`OBMolRingIter_SetType` Source code
`OBMolRingIter_Size` Source code
`OBMolRingIter__SWIG_0` Source code
`OBMolRingIter__SWIG_1` Source code
`OBMolRingIter__SWIG_2` Source code
`OBMolRingIter___deref__` Source code
`OBMolRingIter___ref__` Source code
`OBMolRingIter__path_get` Source code
`OBMolRingIter__path_set` Source code
`OBMolRingIter__pathset_get` Source code
`OBMolRingIter__pathset_set` Source code
`OBMolRingIter_findCenterAndNormal` Source code
`OBMolRingIter_inc__SWIG_0` Source code
`OBMolRingIter_inc__SWIG_1` Source code
`OBMolRingIter_inc` Source code
`OBMolRingIter_ring_id_get` Source code
`OBMolRingIter_ring_id_set` Source code
`OBMolRingIter` Source code
`OBMolTorsionIter_HasMore` Source code
`OBMolTorsionIter__SWIG_0` Source code
`OBMolTorsionIter__SWIG_1` Source code
`OBMolTorsionIter__SWIG_2` Source code
`OBMolTorsionIter___ref__` Source code
`OBMolTorsionIter_inc` Source code
`OBMolTorsionIter` Source code
`OBMol_AddAtom` Source code
`OBMol_AddBond__SWIG_0` Source code
`OBMol_AddBond__SWIG_1` Source code
`OBMol_AddBond__SWIG_2` Source code
`OBMol_AddBond__SWIG_3` Source code
`OBMol_AddBond` Source code
`OBMol_AddConformer` Source code
`OBMol_AddHydrogens__SWIG_0` Source code
`OBMol_AddHydrogens__SWIG_1` Source code
`OBMol_AddHydrogens__SWIG_2` Source code
`OBMol_AddHydrogens__SWIG_3` Source code
`OBMol_AddHydrogens__SWIG_4` Source code
`OBMol_AddHydrogens` Source code
`OBMol_AddPolarHydrogens` Source code
`OBMol_AddResidue` Source code
`OBMol_Align` Source code
`OBMol_AssignSpinMultiplicity__SWIG_0` Source code
`OBMol_AssignSpinMultiplicity__SWIG_1` Source code
`OBMol_AssignSpinMultiplicity` Source code
`OBMol_AutomaticFormalCharge` Source code
`OBMol_AutomaticPartialCharge` Source code
`OBMol_BeginConformer` Source code
`OBMol_BeginInternalCoord` Source code
`OBMol_BeginModify` Source code
`OBMol_Center__SWIG_0` Source code
`OBMol_Center__SWIG_1` Source code
`OBMol_Center` Source code
`OBMol_ClassDescription` Source code
`OBMol_ConnectTheDots` Source code
`OBMol_ContigFragList` Source code
`OBMol_ConvertDativeBonds` Source code
`OBMol_CopyConformer` Source code
`OBMol_CorrectForPH__SWIG_0` Source code
`OBMol_CorrectForPH__SWIG_1` Source code
`OBMol_CorrectForPH` Source code
`OBMol_CreateAtom` Source code
`OBMol_CreateBond` Source code
`OBMol_CreateResidue` Source code
`OBMol_DecrementMod` Source code
`OBMol_DeleteAtom__SWIG_0` Source code
`OBMol_DeleteAtom__SWIG_1` Source code
`OBMol_DeleteAtom` Source code
`OBMol_DeleteBond__SWIG_0` Source code
`OBMol_DeleteBond__SWIG_1` Source code
`OBMol_DeleteBond` Source code
`OBMol_DeleteConformer` Source code
`OBMol_DeleteHydrogen` Source code
`OBMol_DeleteHydrogens__SWIG_0` Source code
`OBMol_DeleteHydrogens__SWIG_1` Source code
`OBMol_DeleteHydrogens` Source code
`OBMol_DeleteNonPolarHydrogens` Source code
`OBMol_DeleteResidue__SWIG_0` Source code
`OBMol_DeleteResidue__SWIG_1` Source code
`OBMol_DeleteResidue` Source code
`OBMol_DestroyAtom` Source code
`OBMol_DestroyBond` Source code
`OBMol_DestroyResidue` Source code
`OBMol_Empty` Source code
`OBMol_EndModify__SWIG_0` Source code
`OBMol_EndModify__SWIG_1` Source code
`OBMol_EndModify` Source code
`OBMol_FindAngles` Source code
`OBMol_FindChildren__SWIG_0` Source code
`OBMol_FindChildren__SWIG_1` Source code
`OBMol_FindChildren` Source code
`OBMol_FindChiralCenters` Source code
`OBMol_FindLSSR` Source code
`OBMol_FindLargestFragment` Source code
`OBMol_FindRingAtomsAndBonds` Source code
`OBMol_FindSSSR` Source code
`OBMol_FindTorsions` Source code
`OBMol_GetAngle` Source code
`OBMol_GetAtomById` Source code
`OBMol_GetAtom` Source code
`OBMol_GetBondById` Source code
`OBMol_GetBond__SWIG_0` Source code
`OBMol_GetBond__SWIG_1` Source code
`OBMol_GetBond__SWIG_2` Source code
`OBMol_GetBond` Source code
`OBMol_GetConformer` Source code
`OBMol_GetConformers` Source code
`OBMol_GetCoordinates` Source code
`OBMol_GetDimension` Source code
`OBMol_GetEnergies` Source code
`OBMol_GetEnergy__SWIG_0` Source code
`OBMol_GetEnergy__SWIG_1` Source code
`OBMol_GetEnergy` Source code
`OBMol_GetExactMass__SWIG_0` Source code
`OBMol_GetExactMass__SWIG_1` Source code
`OBMol_GetExactMass` Source code
`OBMol_GetFirstAtom` Source code
`OBMol_GetFlags` Source code
`OBMol_GetFormula` Source code
`OBMol_GetGIDVector` Source code
`OBMol_GetGIVector` Source code
`OBMol_GetGTDVector` Source code
`OBMol_GetInternalCoord` Source code
`OBMol_GetLSSR` Source code
`OBMol_GetMod` Source code
`OBMol_GetMolWt__SWIG_0` Source code
`OBMol_GetMolWt__SWIG_1` Source code
`OBMol_GetMolWt` Source code
`OBMol_GetNextFragment` Source code
`OBMol_GetResidue` Source code
`OBMol_GetSSSR` Source code
`OBMol_GetSpacedFormula__SWIG_0` Source code
`OBMol_GetSpacedFormula__SWIG_1` Source code
`OBMol_GetSpacedFormula__SWIG_2` Source code
`OBMol_GetSpacedFormula__SWIG_3` Source code
`OBMol_GetSpacedFormula` Source code
`OBMol_GetTitle__SWIG_0` Source code
`OBMol_GetTitle__SWIG_1` Source code
`OBMol_GetTitle` Source code
`OBMol_GetTorsion__SWIG_0` Source code
`OBMol_GetTorsion__SWIG_1` Source code
`OBMol_GetTorsion` Source code
`OBMol_GetTotalCharge` Source code
`OBMol_GetTotalSpinMultiplicity` Source code
`OBMol_Has2D__SWIG_0` Source code
`OBMol_Has2D__SWIG_1` Source code
`OBMol_Has2D` Source code
`OBMol_Has3D` Source code
`OBMol_HasAromaticCorrected` Source code
`OBMol_HasAromaticPerceived` Source code
`OBMol_HasAtomTypesPerceived` Source code
`OBMol_HasChainsPerceived` Source code
`OBMol_HasChiralityPerceived` Source code
`OBMol_HasClosureBondsPerceived` Source code
`OBMol_HasHybridizationPerceived` Source code
`OBMol_HasHydrogensAdded` Source code
`OBMol_HasImplicitValencePerceived` Source code
`OBMol_HasKekulePerceived` Source code
`OBMol_HasLSSRPerceived` Source code
`OBMol_HasNonZeroCoords` Source code
`OBMol_HasPartialChargesPerceived` Source code
`OBMol_HasRingAtomsAndBondsPerceived` Source code
`OBMol_HasRingTypesPerceived` Source code
`OBMol_HasSSSRPerceived` Source code
`OBMol_HasSpinMultiplicityAssigned` Source code
`OBMol_IncrementMod` Source code
`OBMol_InsertAtom` Source code
`OBMol_IsChiral` Source code
`OBMol_IsCorrectedForPH` Source code
`OBMol_Kekulize` Source code
`OBMol_NewAtom__SWIG_0` Source code
`OBMol_NewAtom__SWIG_1` Source code
`OBMol_NewAtom` Source code
`OBMol_NewBond__SWIG_0` Source code
`OBMol_NewBond__SWIG_1` Source code
`OBMol_NewBond` Source code
`OBMol_NewPerceiveKekuleBonds` Source code
`OBMol_NewResidue` Source code
`OBMol_NextConformer` Source code
`OBMol_NextInternalCoord` Source code
`OBMol_NumAtoms` Source code
`OBMol_NumBonds` Source code
`OBMol_NumConformers` Source code
`OBMol_NumHvyAtoms` Source code
`OBMol_NumResidues` Source code
`OBMol_NumRotors` Source code
`OBMol_PerceiveBondOrders` Source code
`OBMol_PerceiveKekuleBonds` Source code
`OBMol_RenumberAtoms__SWIG_0` Source code
`OBMol_RenumberAtoms__SWIG_1` Source code
`OBMol_RenumberAtoms` Source code
`OBMol_ReserveAtoms` Source code
`OBMol_Rotate__SWIG_0` Source code
`OBMol_Rotate__SWIG_1` Source code
`OBMol_Rotate__SWIG_2` Source code
`OBMol_Rotate` Source code
`OBMol_Separate__SWIG_0` Source code
`OBMol_Separate__SWIG_1` Source code
`OBMol_Separate` Source code
`OBMol_SetAromaticCorrected` Source code
`OBMol_SetAromaticPerceived` Source code
`OBMol_SetAtomTypesPerceived` Source code
`OBMol_SetAutomaticFormalCharge` Source code
`OBMol_SetAutomaticPartialCharge` Source code
`OBMol_SetChainsPerceived` Source code
`OBMol_SetChiralityPerceived` Source code
`OBMol_SetClosureBondsPerceived` Source code
`OBMol_SetConformer` Source code
`OBMol_SetConformers` Source code
`OBMol_SetCoordinates` Source code
`OBMol_SetCorrectedForPH` Source code
`OBMol_SetDimension` Source code
`OBMol_SetEnergies` Source code
`OBMol_SetEnergy` Source code
`OBMol_SetFlags` Source code
`OBMol_SetFormula` Source code
`OBMol_SetHybridizationPerceived` Source code
`OBMol_SetHydrogensAdded` Source code
`OBMol_SetImplicitValencePerceived` Source code
`OBMol_SetInternalCoord` Source code
`OBMol_SetIsPatternStructure` Source code
`OBMol_SetKekulePerceived` Source code
`OBMol_SetLSSRPerceived` Source code
`OBMol_SetPartialChargesPerceived` Source code
`OBMol_SetRingAtomsAndBondsPerceived` Source code
`OBMol_SetRingTypesPerceived` Source code
`OBMol_SetSSSRPerceived` Source code
`OBMol_SetSpinMultiplicityAssigned` Source code
`OBMol_SetTitle__SWIG_0` Source code
`OBMol_SetTitle__SWIG_1` Source code
`OBMol_SetTitle` Source code
`OBMol_SetTorsion` Source code
`OBMol_SetTotalCharge` Source code
`OBMol_SetTotalSpinMultiplicity` Source code
`OBMol_StripSalts__SWIG_0` Source code
`OBMol_StripSalts__SWIG_1` Source code
`OBMol_StripSalts` Source code
`OBMol_ToInertialFrame__SWIG_0` Source code
`OBMol_ToInertialFrame__SWIG_1` Source code
`OBMol_ToInertialFrame` Source code
`OBMol_Translate__SWIG_0` Source code
`OBMol_Translate__SWIG_1` Source code
`OBMol_Translate` Source code
`OBMol_UnsetAromaticPerceived` Source code
`OBMol_UnsetFlag` Source code
`OBMol_UnsetHydrogensAdded` Source code
`OBMol_UnsetImplicitValencePerceived` Source code
`OBMol_UnsetPartialChargesPerceived` Source code
`OBMol_UnsetRingTypesPerceived` Source code
`OBMol_UnsetSSSRPerceived` Source code
`OBMol__SWIG_0` Source code
`OBMol__SWIG_1` Source code
`OBMol` Source code
`OBOp_Default` Source code
`OBOp_DoOps` Source code
`OBOp_Do__SWIG_0` Source code
`OBOp_Do__SWIG_1` Source code
`OBOp_Do__SWIG_2` Source code
`OBOp_Do__SWIG_3` Source code
`OBOp_Do` Source code
`OBOp_FindType` Source code
`OBOp_OpOptions` Source code
`OBOp_ProcessVec` Source code
`OBOp_WorksWith` Source code
`OBOrbitalData_GetAlphaHOMO` Source code
`OBOrbitalData_GetAlphaOrbitals` Source code
`OBOrbitalData_GetBetaHOMO` Source code
`OBOrbitalData_GetBetaOrbitals` Source code
`OBOrbitalData_IsOpenShell` Source code
`OBOrbitalData_LoadAlphaOrbitals` Source code
`OBOrbitalData_LoadBetaOrbitals` Source code
`OBOrbitalData_LoadClosedShellOrbitals` Source code
`OBOrbitalData_SetAlphaOrbitals` Source code
`OBOrbitalData_SetBetaOrbitals` Source code
`OBOrbitalData_SetHOMO__SWIG_0` Source code
`OBOrbitalData_SetHOMO__SWIG_1` Source code
`OBOrbitalData_SetHOMO` Source code
`OBOrbitalData_SetOpenShell` Source code
`OBOrbitalData` Source code
`OBOrbital_GetEnergy` Source code
`OBOrbital_GetOccupation` Source code
`OBOrbital_GetSymbol` Source code
`OBOrbital_SetData__SWIG_0` Source code
`OBOrbital_SetData__SWIG_1` Source code
`OBOrbital_SetData__SWIG_2` Source code
`OBOrbital_SetData` Source code
`OBOrbital` Source code
`OBPairData_SetValue__SWIG_0` Source code
`OBPairData_SetValue__SWIG_1` Source code
`OBPairData_SetValue` Source code
`OBPairData` Source code
`OBPlugin_Begin` Source code
`OBPlugin_Description` Source code
`OBPlugin_Display__SWIG_0` Source code
`OBPlugin_Display__SWIG_1` Source code
`OBPlugin_Display` Source code
`OBPlugin_End` Source code
`OBPlugin_FirstLine` Source code
`OBPlugin_GetID` Source code
`OBPlugin_GetMap` Source code
`OBPlugin_GetPlugin` Source code
`OBPlugin_Init` Source code
`OBPlugin_ListAsString__SWIG_0` Source code
`OBPlugin_ListAsString__SWIG_1` Source code
`OBPlugin_ListAsString` Source code
`OBPlugin_ListAsVector` Source code
`OBPlugin_List__SWIG_0` Source code
`OBPlugin_List__SWIG_1` Source code
`OBPlugin_List__SWIG_2` Source code
`OBPlugin_List` Source code
`OBPlugin_MakeInstance` Source code
`OBPlugin_TypeID` Source code
`OBRTree_GetAtomIdx` Source code
`OBRTree_PathToRoot` Source code
`OBRTree` Source code
`OBRandom_NextFloat` Source code
`OBRandom_NextInt` Source code
`OBRandom_Seed` Source code
`OBRandom_TimeSeed` Source code
`OBRandom__SWIG_0` Source code
`OBRandom__SWIG_1` Source code
`OBRandom` Source code
`OBReleaseVersion` Source code
`OBResidueAtomIter_AddBond` Source code
`OBResidueAtomIter_AddResidue` Source code
`OBResidueAtomIter_AverageBondAngle` Source code
`OBResidueAtomIter_BOSum` Source code
`OBResidueAtomIter_BeginBond` Source code
`OBResidueAtomIter_BeginBonds` Source code
`OBResidueAtomIter_BeginData` Source code
`OBResidueAtomIter_BeginNbrAtom` Source code
`OBResidueAtomIter_ClassDescription` Source code
`OBResidueAtomIter_ClearBond` Source code
`OBResidueAtomIter_ClearCoordPtr` Source code
`OBResidueAtomIter_Clear` Source code
`OBResidueAtomIter_CloneData` Source code
`OBResidueAtomIter_CountBondsOfOrder` Source code
`OBResidueAtomIter_CountFreeOxygens` Source code
`OBResidueAtomIter_CountRingBonds` Source code
`OBResidueAtomIter_DataSize` Source code
`OBResidueAtomIter_DecrementImplicitValence` Source code
`OBResidueAtomIter_DeleteBond` Source code
`OBResidueAtomIter_DeleteData__SWIG_0` Source code
`OBResidueAtomIter_DeleteData__SWIG_1` Source code
`OBResidueAtomIter_DeleteData__SWIG_2` Source code
`OBResidueAtomIter_DeleteData__SWIG_3` Source code
`OBResidueAtomIter_DeleteData` Source code
`OBResidueAtomIter_DeleteResidue` Source code
`OBResidueAtomIter_DoTransformations` Source code
`OBResidueAtomIter_Duplicate` Source code
`OBResidueAtomIter_EndBonds` Source code
`OBResidueAtomIter_EndData` Source code
`OBResidueAtomIter_ExplicitHydrogenCount__SWIG_0` Source code
`OBResidueAtomIter_ExplicitHydrogenCount__SWIG_1` Source code
`OBResidueAtomIter_ExplicitHydrogenCount` Source code
`OBResidueAtomIter_ForceImplH` Source code
`OBResidueAtomIter_ForceNoH` Source code
`OBResidueAtomIter_GetAllData` Source code
`OBResidueAtomIter_GetAngle__SWIG_0` Source code
`OBResidueAtomIter_GetAngle__SWIG_1` Source code
`OBResidueAtomIter_GetAngle` Source code
`OBResidueAtomIter_GetAtomicMass` Source code
`OBResidueAtomIter_GetAtomicNum` Source code
`OBResidueAtomIter_GetBond` Source code
`OBResidueAtomIter_GetCIdx` Source code
`OBResidueAtomIter_GetCoordinateIdx` Source code
`OBResidueAtomIter_GetCoordinate` Source code
`OBResidueAtomIter_GetData__SWIG_0` Source code
`OBResidueAtomIter_GetData__SWIG_1` Source code
`OBResidueAtomIter_GetData__SWIG_2` Source code
`OBResidueAtomIter_GetData__SWIG_3` Source code
`OBResidueAtomIter_GetData` Source code
`OBResidueAtomIter_GetDistance__SWIG_0` Source code
`OBResidueAtomIter_GetDistance__SWIG_1` Source code
`OBResidueAtomIter_GetDistance` Source code
`OBResidueAtomIter_GetExactMass` Source code
`OBResidueAtomIter_GetFormalCharge` Source code
`OBResidueAtomIter_GetHeteroValence` Source code
`OBResidueAtomIter_GetHvyValence` Source code
`OBResidueAtomIter_GetHyb` Source code
`OBResidueAtomIter_GetId` Source code
`OBResidueAtomIter_GetIdx` Source code
`OBResidueAtomIter_GetImplicitValence` Source code
`OBResidueAtomIter_GetIndex` Source code
`OBResidueAtomIter_GetIsotope` Source code
`OBResidueAtomIter_GetNewBondVector` Source code
`OBResidueAtomIter_GetNextAtom` Source code
`OBResidueAtomIter_GetParent` Source code
`OBResidueAtomIter_GetPartialCharge` Source code
`OBResidueAtomIter_GetResidue__SWIG_0` Source code
`OBResidueAtomIter_GetResidue__SWIG_1` Source code
`OBResidueAtomIter_GetResidue` Source code
`OBResidueAtomIter_GetSpinMultiplicity` Source code
`OBResidueAtomIter_GetTitle__SWIG_0` Source code
`OBResidueAtomIter_GetTitle__SWIG_1` Source code
`OBResidueAtomIter_GetTitle` Source code
`OBResidueAtomIter_GetType` Source code
`OBResidueAtomIter_GetValence` Source code
`OBResidueAtomIter_GetVector` Source code
`OBResidueAtomIter_GetX` Source code
`OBResidueAtomIter_GetY` Source code
`OBResidueAtomIter_GetZ` Source code
`OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_0` Source code
`OBResidueAtomIter_HasAlphaBetaUnsat__SWIG_1` Source code
`OBResidueAtomIter_HasAlphaBetaUnsat` Source code
`OBResidueAtomIter_HasAromaticBond` Source code
`OBResidueAtomIter_HasBondOfOrder` Source code
`OBResidueAtomIter_HasChiralVolume` Source code
`OBResidueAtomIter_HasChiralitySpecified` Source code
`OBResidueAtomIter_HasData__SWIG_0` Source code
`OBResidueAtomIter_HasData__SWIG_1` Source code
`OBResidueAtomIter_HasData` Source code
`OBResidueAtomIter_HasDoubleBond` Source code
`OBResidueAtomIter_HasImplHForced` Source code
`OBResidueAtomIter_HasMore` Source code
`OBResidueAtomIter_HasNoHForced` Source code
`OBResidueAtomIter_HasNonSingleBond` Source code
`OBResidueAtomIter_HasResidue` Source code
`OBResidueAtomIter_HasSingleBond` Source code
`OBResidueAtomIter_HtoMethyl` Source code
`OBResidueAtomIter_ImplicitHydrogenCount` Source code
`OBResidueAtomIter_IncrementImplicitValence` Source code
`OBResidueAtomIter_InsertBond` Source code
`OBResidueAtomIter_IsAmideNitrogen` Source code
`OBResidueAtomIter_IsAntiClockwise` Source code
`OBResidueAtomIter_IsAromaticNOxide` Source code
`OBResidueAtomIter_IsAromatic` Source code
`OBResidueAtomIter_IsAxial` Source code
`OBResidueAtomIter_IsCarbon` Source code
`OBResidueAtomIter_IsCarboxylOxygen` Source code
`OBResidueAtomIter_IsChiral` Source code
`OBResidueAtomIter_IsClockwise` Source code
`OBResidueAtomIter_IsConnected` Source code
`OBResidueAtomIter_IsHbondAcceptor` Source code
`OBResidueAtomIter_IsHbondDonorH` Source code
`OBResidueAtomIter_IsHbondDonor` Source code
`OBResidueAtomIter_IsHeteroatom` Source code
`OBResidueAtomIter_IsInRingSize` Source code
`OBResidueAtomIter_IsInRing` Source code
`OBResidueAtomIter_IsNegativeStereo` Source code
`OBResidueAtomIter_IsNitroOxygen` Source code
`OBResidueAtomIter_IsNitrogen` Source code
`OBResidueAtomIter_IsNonPolarHydrogen` Source code
`OBResidueAtomIter_IsNotCorH` Source code
`OBResidueAtomIter_IsOneFour` Source code
`OBResidueAtomIter_IsOneThree` Source code
`OBResidueAtomIter_IsOxygen` Source code
`OBResidueAtomIter_IsPhosphateOxygen` Source code
`OBResidueAtomIter_IsPhosphorus` Source code
`OBResidueAtomIter_IsPolarHydrogen` Source code
`OBResidueAtomIter_IsPositiveStereo` Source code
`OBResidueAtomIter_IsSulfateOxygen` Source code
`OBResidueAtomIter_IsSulfur` Source code
`OBResidueAtomIter_KBOSum` Source code
`OBResidueAtomIter_MatchesSMARTS` Source code
`OBResidueAtomIter_MemberOfRingCount` Source code
`OBResidueAtomIter_MemberOfRingSize` Source code
`OBResidueAtomIter_NewResidue` Source code
`OBResidueAtomIter_NextBond` Source code
`OBResidueAtomIter_NextNbrAtom` Source code
`OBResidueAtomIter_SetAntiClockwiseStereo` Source code
`OBResidueAtomIter_SetAromatic` Source code
`OBResidueAtomIter_SetAtomicNum` Source code
`OBResidueAtomIter_SetChiral` Source code
`OBResidueAtomIter_SetClockwiseStereo` Source code
`OBResidueAtomIter_SetCoordPtr` Source code
`OBResidueAtomIter_SetFormalCharge` Source code
`OBResidueAtomIter_SetHybAndGeom` Source code
`OBResidueAtomIter_SetHyb` Source code
`OBResidueAtomIter_SetId` Source code
`OBResidueAtomIter_SetIdx` Source code
`OBResidueAtomIter_SetImplicitValence` Source code
`OBResidueAtomIter_SetInRing` Source code
`OBResidueAtomIter_SetIsotope` Source code
`OBResidueAtomIter_SetNegativeStereo` Source code
`OBResidueAtomIter_SetParent` Source code
`OBResidueAtomIter_SetPartialCharge` Source code
`OBResidueAtomIter_SetPositiveStereo` Source code
`OBResidueAtomIter_SetResidue` Source code
`OBResidueAtomIter_SetSpinMultiplicity` Source code
`OBResidueAtomIter_SetTitle` Source code
`OBResidueAtomIter_SetType` Source code
`OBResidueAtomIter_SetVector__SWIG_0` Source code
`OBResidueAtomIter_SetVector__SWIG_1` Source code
`OBResidueAtomIter_SetVector__SWIG_2` Source code
`OBResidueAtomIter_SetVector` Source code
`OBResidueAtomIter_SmallestBondAngle` Source code
`OBResidueAtomIter_UnsetAromatic` Source code
`OBResidueAtomIter_UnsetStereo` Source code
`OBResidueAtomIter_Visit_get` Source code
`OBResidueAtomIter_Visit_set` Source code
`OBResidueAtomIter__SWIG_0` Source code
`OBResidueAtomIter__SWIG_1` Source code
`OBResidueAtomIter__SWIG_2` Source code
`OBResidueAtomIter___deref__` Source code
`OBResidueAtomIter___ref__` Source code
`OBResidueAtomIter_inc__SWIG_0` Source code
`OBResidueAtomIter_inc__SWIG_1` Source code
`OBResidueAtomIter_inc` Source code
`OBResidueAtomIter_x` Source code
`OBResidueAtomIter_y` Source code
`OBResidueAtomIter_z` Source code
`OBResidueAtomIter` Source code
`OBResidueData_AssignBonds` Source code
`OBResidueData_LookupBO__SWIG_0` Source code
`OBResidueData_LookupBO__SWIG_1` Source code
`OBResidueData_LookupBO` Source code
`OBResidueData_LookupType` Source code
`OBResidueData_SetResName` Source code
`OBResidueData` Source code
`OBResidueIter_AddAtom` Source code
`OBResidueIter_BeginAtom` Source code
`OBResidueIter_BeginAtoms` Source code
`OBResidueIter_BeginData` Source code
`OBResidueIter_ClassDescription` Source code
`OBResidueIter_Clear` Source code
`OBResidueIter_CloneData` Source code
`OBResidueIter_DataSize` Source code
`OBResidueIter_DeleteData__SWIG_0` Source code
`OBResidueIter_DeleteData__SWIG_1` Source code
`OBResidueIter_DeleteData__SWIG_2` Source code
`OBResidueIter_DeleteData__SWIG_3` Source code
`OBResidueIter_DeleteData` Source code
`OBResidueIter_DoTransformations` Source code
`OBResidueIter_EndAtoms` Source code
`OBResidueIter_EndData` Source code
`OBResidueIter_GetAllData` Source code
`OBResidueIter_GetAminoAcidProperty` Source code
`OBResidueIter_GetAtomID` Source code
`OBResidueIter_GetAtomProperty` Source code
`OBResidueIter_GetAtoms` Source code
`OBResidueIter_GetBonds__SWIG_0` Source code
`OBResidueIter_GetBonds__SWIG_1` Source code
`OBResidueIter_GetBonds` Source code
`OBResidueIter_GetChainNum` Source code
`OBResidueIter_GetChain` Source code
`OBResidueIter_GetData__SWIG_0` Source code
`OBResidueIter_GetData__SWIG_1` Source code
`OBResidueIter_GetData__SWIG_2` Source code
`OBResidueIter_GetData__SWIG_3` Source code
`OBResidueIter_GetData` Source code
`OBResidueIter_GetIdx` Source code
`OBResidueIter_GetName` Source code
`OBResidueIter_GetNumAtoms` Source code
`OBResidueIter_GetNumString` Source code
`OBResidueIter_GetNum` Source code
`OBResidueIter_GetResKey` Source code
`OBResidueIter_GetResidueProperty` Source code
`OBResidueIter_GetSerialNum` Source code
`OBResidueIter_GetTitle__SWIG_0` Source code
`OBResidueIter_GetTitle__SWIG_1` Source code
`OBResidueIter_GetTitle` Source code
`OBResidueIter_HasData__SWIG_0` Source code
`OBResidueIter_HasData__SWIG_1` Source code
`OBResidueIter_HasData` Source code
`OBResidueIter_HasMore` Source code
`OBResidueIter_InsertAtom` Source code
`OBResidueIter_IsHetAtom` Source code
`OBResidueIter_IsResidueType` Source code
`OBResidueIter_NextAtom` Source code
`OBResidueIter_RemoveAtom` Source code
`OBResidueIter_SetAtomID` Source code
`OBResidueIter_SetChainNum` Source code
`OBResidueIter_SetChain` Source code
`OBResidueIter_SetHetAtom` Source code
`OBResidueIter_SetIdx` Source code
`OBResidueIter_SetName` Source code
`OBResidueIter_SetNum__SWIG_0` Source code
`OBResidueIter_SetNum__SWIG_1` Source code
`OBResidueIter_SetNum` Source code
`OBResidueIter_SetSerialNum` Source code
`OBResidueIter_SetTitle` Source code
`OBResidueIter__SWIG_0` Source code
`OBResidueIter__SWIG_1` Source code
`OBResidueIter__SWIG_2` Source code
`OBResidueIter___deref__` Source code
`OBResidueIter___ref__` Source code
`OBResidueIter_inc__SWIG_0` Source code
`OBResidueIter_inc__SWIG_1` Source code
`OBResidueIter_inc` Source code
`OBResidueIter` Source code
`OBResidue_AddAtom` Source code
`OBResidue_BeginAtom` Source code
`OBResidue_BeginAtoms` Source code
`OBResidue_EndAtoms` Source code
`OBResidue_GetAminoAcidProperty` Source code
`OBResidue_GetAtomID` Source code
`OBResidue_GetAtomProperty` Source code
`OBResidue_GetAtoms` Source code
`OBResidue_GetBonds__SWIG_0` Source code
`OBResidue_GetBonds__SWIG_1` Source code
`OBResidue_GetBonds` Source code
`OBResidue_GetChainNum` Source code
`OBResidue_GetChain` Source code
`OBResidue_GetIdx` Source code
`OBResidue_GetName` Source code
`OBResidue_GetNumAtoms` Source code
`OBResidue_GetNumString` Source code
`OBResidue_GetNum` Source code
`OBResidue_GetResKey` Source code
`OBResidue_GetResidueProperty` Source code
`OBResidue_GetSerialNum` Source code
`OBResidue_InsertAtom` Source code
`OBResidue_IsHetAtom` Source code
`OBResidue_IsResidueType` Source code
`OBResidue_NextAtom` Source code
`OBResidue_RemoveAtom` Source code
`OBResidue_SetAtomID` Source code
`OBResidue_SetChainNum` Source code
`OBResidue_SetChain` Source code
`OBResidue_SetHetAtom` Source code
`OBResidue_SetIdx` Source code
`OBResidue_SetName` Source code
`OBResidue_SetNum__SWIG_0` Source code
`OBResidue_SetNum__SWIG_1` Source code
`OBResidue_SetNum` Source code
`OBResidue_SetSerialNum` Source code
`OBResidue__SWIG_0` Source code
`OBResidue__SWIG_1` Source code
`OBResidue` Source code
`OBRingData_BeginRing` Source code
`OBRingData_BeginRings` Source code
`OBRingData_EndRings` Source code
`OBRingData_GetData` Source code
`OBRingData_NextRing` Source code
`OBRingData_PushBack` Source code
`OBRingData_SetData` Source code
`OBRingData__SWIG_0` Source code
`OBRingData__SWIG_1` Source code
`OBRingData` Source code
`OBRingSearch_AddRingFromClosure` Source code
`OBRingSearch_BeginRings` Source code
`OBRingSearch_EndRings` Source code
`OBRingSearch_RemoveRedundant` Source code
`OBRingSearch_SaveUniqueRing` Source code
`OBRingSearch_SortRings` Source code
`OBRingSearch_WriteRings` Source code
`OBRingSearch` Source code
`OBRingTyper_AssignTypes` Source code
`OBRingTyper` Source code
`OBRing_GetParent` Source code
`OBRing_GetRootAtom` Source code
`OBRing_GetType` Source code
`OBRing_IsAromatic` Source code
`OBRing_IsInRing` Source code
`OBRing_IsMember__SWIG_0` Source code
`OBRing_IsMember__SWIG_1` Source code
`OBRing_IsMember` Source code
`OBRing_PathSize` Source code
`OBRing_SetParent` Source code
`OBRing_SetType__SWIG_0` Source code
`OBRing_SetType__SWIG_1` Source code
`OBRing_SetType` Source code
`OBRing_Size` Source code
`OBRing__SWIG_0` Source code
`OBRing__SWIG_1` Source code
`OBRing__SWIG_2` Source code
`OBRing__SWIG_3` Source code
`OBRing__path_get` Source code
`OBRing__path_set` Source code
`OBRing__pathset_get` Source code
`OBRing__pathset_set` Source code
`OBRing_findCenterAndNormal` Source code
`OBRing_ring_id_get` Source code
`OBRing_ring_id_set` Source code
`OBRing` Source code
`OBRotationData_GetRotConsts` Source code
`OBRotationData_GetRotorType` Source code
`OBRotationData_GetSymmetryNumber` Source code
`OBRotationData_SetData` Source code
`OBRotationData` Source code
`OBSSMatch_Match__SWIG_0` Source code
`OBSSMatch_Match__SWIG_1` Source code
`OBSSMatch_Match` Source code
`OBSSMatch` Source code
`OBSerialNums_GetData` Source code
`OBSerialNums_SetData` Source code
`OBSerialNums__SWIG_0` Source code
`OBSerialNums__SWIG_1` Source code
`OBSerialNums` Source code
`OBSetData_AddData` Source code
`OBSetData_DeleteData` Source code
`OBSetData_GetBegin` Source code
`OBSetData_GetData__SWIG_0` Source code
`OBSetData_GetData__SWIG_1` Source code
`OBSetData_GetData__SWIG_2` Source code
`OBSetData_GetData` Source code
`OBSetData_GetEnd` Source code
`OBSetData_SetData` Source code
`OBSetData` Source code
`OBSmartsMatcher_match__SWIG_0` Source code
`OBSmartsMatcher_match__SWIG_1` Source code
`OBSmartsMatcher_match` Source code
`OBSmartsMatcher` Source code
`OBSmartsPattern_BeginMList` Source code
`OBSmartsPattern_Empty` Source code
`OBSmartsPattern_EndMList` Source code
`OBSmartsPattern_GetAtomicNum` Source code
`OBSmartsPattern_GetBond` Source code
`OBSmartsPattern_GetCharge` Source code
`OBSmartsPattern_GetMapList` Source code
`OBSmartsPattern_GetSMARTS__SWIG_0` Source code
`OBSmartsPattern_GetSMARTS__SWIG_1` Source code
`OBSmartsPattern_GetSMARTS` Source code
`OBSmartsPattern_GetUMapList` Source code
`OBSmartsPattern_GetVectorBinding` Source code
`OBSmartsPattern_HasMatch` Source code
`OBSmartsPattern_Init__SWIG_0` Source code
`OBSmartsPattern_Init__SWIG_1` Source code
`OBSmartsPattern_Init` Source code
`OBSmartsPattern_IsValid` Source code
`OBSmartsPattern_Match__SWIG_0` Source code
`OBSmartsPattern_Match__SWIG_1` Source code
`OBSmartsPattern_Match__SWIG_2` Source code
`OBSmartsPattern_Match__SWIG_3` Source code
`OBSmartsPattern_Match` Source code
`OBSmartsPattern_NumAtoms` Source code
`OBSmartsPattern_NumBonds` Source code
`OBSmartsPattern_NumMatches` Source code
`OBSmartsPattern_RestrictedMatch__SWIG_0` Source code
`OBSmartsPattern_RestrictedMatch__SWIG_1` Source code
`OBSmartsPattern_RestrictedMatch__SWIG_2` Source code
`OBSmartsPattern_RestrictedMatch__SWIG_3` Source code
`OBSmartsPattern_RestrictedMatch` Source code
`OBSmartsPattern_WriteMapList` Source code
`OBSmartsPattern__SWIG_0` Source code
`OBSmartsPattern__SWIG_1` Source code
`OBSmartsPattern` Source code
`OBSqrtTbl_Init` Source code
`OBSqrtTbl_Sqrt` Source code
`OBSqrtTbl__SWIG_0` Source code
`OBSqrtTbl__SWIG_1` Source code
`OBSqrtTbl` Source code
`OBStopwatch_Elapsed` Source code
`OBStopwatch_Lap` Source code
`OBStopwatch_Start` Source code
`OBStopwatch` Source code
`OBSymmetryData_GetPointGroup` Source code
`OBSymmetryData_GetSpaceGroup` Source code
`OBSymmetryData_SetData__SWIG_0` Source code
`OBSymmetryData_SetData__SWIG_1` Source code
`OBSymmetryData_SetData` Source code
`OBSymmetryData_SetPointGroup` Source code
`OBSymmetryData_SetSpaceGroup` Source code
`OBSymmetryData__SWIG_0` Source code