Open Babel: Class Members

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SaveUniqueRing() : OBRingSearch
Seed() : OBRandom
seekoff() : FilteringInputStreambuf
seekpos() : FilteringInputStreambuf
SelectRootAtoms() : OBAromaticTyper
Separate() : OBMol
Set() : OBRotor , OBBond , matrix3x3 , vector3
SetAngle() : OBTorsion , OBAngle
SetAntiClockwiseStereo() : OBAtom
SetAromatic() : OBAtom , OBBond
SetAromaticCorrected() : OBMol
SetAromaticPerceived() : OBMol
SetAtom() : OBExternalBond
SetAtom4Refs() : OBChiralData
SetAtomicNum() : OBAtom
SetAtomID() : OBResidue
SetAtoms() : OBAngle
SetAtomTypesPerceived() : OBMol
SetAttribute() : OBGenericData
SetAutomaticFormalCharge() : OBMol
SetAutomaticPartialCharge() : OBMol
SetAuxConv() : OBConversion
SetBaseCoordinateSets() : OBRotamerList
SetBegin() : OBBond
SetBit() : OBFingerprint
SetBitOff() : OBBitVec
SetBitOn() : OBBitVec
SetBO() : OBBond
SetBond() : OBExternalBond , OBRotor
SetBondOrder() : OBBond
SetChain() : OBResidue
SetChainNum() : OBResidue
SetChainsPerceived() : OBMol
SetChiral() : OBAtom
SetChiralityPerceived() : OBMol
SetClockwiseStereo() : OBAtom
SetClosure() : OBBond
SetClosureBondsPerceived() : OBMol
SetCoeff() : OBNasaThermoData
SetColumn() : matrix3x3
SetConformer() : OBMol
SetConformers() : OBMol
SetCoordPtr() : OBAtom
SetCorrectedForPH() : OBMol
SetData() : OBBase , OBExternalBondData , OBBase , OBCommentData , OBBase , OBSetData , OBRingData , OBUnitCell , OBConformerData , OBSymmetryData , OBTorsionData , OBTorsion , OBAngleData , OBSerialNums , OBVibrationData , OBBase
SetDelta() : OBRotorRule , OBRotor
SetDihedralAtoms() : OBRotor
SetDimension() : OBMol , OBConformerData
SetDisplacements() : OBConformerData
SetDown() : OBBond
SetEfficiency() : OBRateData
SetEnd() : OBBond
SetEnergies() : OBConformerData
SetEnergy() : OBMol
SetEnvironmentVariable() : OBGlobalDataBase
SetEvalAtoms() : OBRotor , OBRotorList
SetFilename() : OBRotorRules
SetFixAtoms() : OBRotorList
SetFixedAtoms() : OBRotor
SetFlag() : OBAtom , OBBond , OBMol
SetFlags() : OBMol
SetForces() : OBConformerData
SetFormalCharge() : OBAtom
SetFormula() : OBMol
SetFromType() : OBTypeTable
SetGridType() : OBProxGrid
SetHash() : OBBond
SetHetAtom() : OBResidue
SetHiT() : OBNasaThermoData
SetHyb() : OBAtom
SetHybAndGeom() : OBAtom
SetHybridizationPerceived() : OBMol
SetHydrogensAdded() : OBMol
SetIdx() : OBBond , OBAtom , OBExternalBond , OBResidue , OBRotor
SetImplicitValence() : OBAtom
SetImplicitValencePerceived() : OBMol
SetInAndOutFormats() : OBConversion
SetInFormat() : OBConversion
SetInRing() : OBAtom , OBBond
SetInStream() : OBConversion
SetInternalCoord() : OBMol
SetIsotope() : OBAtom
SetKDouble() : OBBond
SetKekulePerceived() : OBMol
SetKSingle() : OBBond
SetKTriple() : OBBond
SetLast() : OBConversion
SetLatticeType() : OBUnitCell
SetLength() : OBBond
SetLogFile() : OBForceField
SetLogLevel() : OBForceField
SetLoRate() : OBRateData
SetLoT() : OBNasaThermoData
SetMaxLogEntries() : OBMessageHandler
SetMidT() : OBNasaThermoData
SetMoreFilesToCome() : OBConversion
SetName() : OBResidue
SetNegativeStereo() : OBAtom
SetNum() : OBResidue
SetNumCoords() : OBRotor
SetOffset() : OBUnitCell
SetOneObjectOnly() : OBConversion
SetOptions() : OBConversion
SetOrigin() : OBGenericData
SetOutFormat() : OBConversion
SetOutputIndex() : OBConversion
SetOutputLevel() : OBMessageHandler
SetOutputStream() : OBMessageHandler
SetOutStream() : OBConversion
SetParent() : OBBond , OBAtom , OBRing
SetPartialCharge() : OBAtom
SetPartialChargesPerceived() : OBMol
SetPhase() : OBNasaThermoData
SetPointGroup() : OBSymmetryData
SetPositiveStereo() : OBAtom
SetQuiet() : OBRotorList
SetRangeOff() : OBBitVec
SetRangeOn() : OBBitVec
SetRate() : OBRateData
SetReadDirectory() : OBGlobalDataBase
SetResidue() : OBAtom
SetResName() : OBResidueData
SetRingAtomsAndBondsPerceived() : OBMol
SetRotAtoms() : OBRotor , OBRotorList
SetRotAtomsByFix() : OBRotorList
SetRotor() : OBRotor
SetRow() : matrix3x3
SetSerialNum() : OBResidue
SetSource() : FilteringInputStreambuf
SetSpaceGroup() : OBUnitCell , OBSymmetryData
SetSpinMultiplicity() : OBAtom
SetSpinMultiplicityAssigned() : OBMol
SetSSSRPerceived() : OBMol
SetStartAndEnd() : OBConversion
SetTitle() : OBMol
SetToAngle() : OBRotor
SetTorsion() : OBMol
SetTorsionValues() : OBRotor
SetTotalCharge() : OBMol
SetTotalSpinMultiplicity() : OBMol
SetToType() : OBTypeTable
SetTroeParams() : OBRateData
SetType() : OBScoreGrid , OBAtom
Setup() : OBScoreGrid
SetUp() : OBBond
Setup() : OBRotamerList , OBRotorList , OBProxGrid , OBScoreGrid , OBRotamerList , OBForceField , OBProxGrid
SetupReader() : XMLConversion
SetupRotMat() : matrix3x3
SetupWriter() : XMLConversion
SetVals() : OBFloatGrid
SetValue() : OBPairTemplate , OBPairData
SetValues() : GasteigerState
SetVector() : OBAtom
SetVelocities() : OBConformerData
SetVerbose() : OBScoreGrid
SetWedge() : OBBond
SetX() : vector3
SetY() : vector3
SetZ() : vector3
Size() : OBRing , OBRotor , OBRotorList
SkipObjects() : XMLBaseFormat , OBFormat , XMLBaseFormat
SkipXML() : XMLConversion
Sleep() : DLHandler
SmallestBondAngle() : OBAtom
SortByIndex() : OBAngle
SortRings() : OBRingSearch
SpecificationURL() : OBFormat
Sqrt() : OBSqrtTbl
Start() : OBStopwatch
start_kekulize() : OBMol
StartErrorWrap() : OBMessageHandler
StartLogging() : OBMessageHandler
SteepestDescent() : OBForceField
SteepestDescentInitialize() : OBForceField
SteepestDescentTakeNSteps() : OBForceField
StopErrorWrap() : OBMessageHandler
StopLogging() : OBMessageHandler
StripSalts() : OBMol
sync() : FilteringInputStreambuf , obLogBuf
SystematicRotorSearch() : OBForceField