Here is a list of all class members with links to the classes they belong to:
- SaveUniqueRing()
: OBRingSearch
- score
: OBScoreGrid
- second
: quad
, triple
- second_type
: triple
, quad
- Seed()
: OBRandom
- seekdata
: FptIndex
- seekoff()
: FilteringInputStreambuf
- seekpos()
: FilteringInputStreambuf
- SelectRootAtoms()
: OBAromaticTyper
- Separate()
: OBMol
- Set()
: OBRotor
, matrix3x3
, vector3
, OBBond
, OBRotor
- SetAlias()
: AliasData
- 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
- SetComment()
: OBReaction
- SetConformer()
: OBMol
- SetConformers()
: OBForceField
, OBMol
- SetConstraints()
: OBForceField
- SetCoordinates()
: OBForceField
, OBMol
- SetCoordPtr()
: OBAtom
- SetCorrectedForPH()
: OBMol
- SetCurrentCoordinates()
: OBRotamerList
- SetData()
: OBBase
, OBCommentData
, OBExternalBondData
, OBSetData
, OBRingData
, OBUnitCell
, OBConformerData
, OBSymmetryData
, OBTorsion
, OBTorsionData
, OBAngleData
, OBSerialNums
, OBVibrationData
, OBRotationData
, OBVectorData
, OBMatrixData
- SetDelta()
: OBRotorRule
, OBRotor
- SetDihedralAtoms()
: OBRotor
- SetDimension()
: OBConformerData
, OBMol
- SetDisplacements()
: OBConformerData
- SetDown()
: OBBond
- SetEfficiency()
: OBRateData
- SetElectrostaticCutOff()
: OBForceField
- SetEnd()
: OBBond
- SetEnergies()
: OBConformerData
, OBMol
- SetEnergy()
: OBMol
- SetEnvironmentVariable()
: OBGlobalDataBase
- SetEvalAtoms()
: OBRotor
, OBRotorList
- SetExpandedAtoms()
: AliasData
- SetFactor()
: OBFFConstraints
- SetFilename()
: OBRotorRules
- SetFirstInput()
: OBConversion
- SetFixAtom()
: OBForceField
- SetFixAtoms()
: OBRotorList
- SetFixedAtoms()
: OBRotor
- SetFlag()
: OBAtom
, OBBond
, OBMol
- SetFlags()
: OBMol
- SetForces()
: OBConformerData
- SetFormalCharge()
: OBAtom
- SetFormalCharges()
: OBForceField
- SetFormula()
: OBMol
- SetFromType()
: OBTypeTable
- SetGradient()
: OBForceField
- SetGridType()
: OBProxGrid
- SetHallName()
: SpaceGroup
- SetHash()
: OBBond
- SetHetAtom()
: OBResidue
- SetHiT()
: OBNasaThermoData
- SetHMName()
: SpaceGroup
- SetHyb()
: OBAtom
- SetHybAndGeom()
: OBAtom
- SetHybridizationPerceived()
: OBMol
- SetHydrogensAdded()
: OBMol
- SetId()
: SpaceGroup
- SetIdx()
: OBAtom
, OBBond
, OBExternalBond
, OBResidue
, OBRotor
- SetIgnoreAtom()
: OBForceField
- 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
- SetLimits()
: OBFloatGrid
, OBGridData
- SetLineSearchType()
: OBForceField
- SetLocale()
: OBLocale
- SetLogFile()
: OBForceField
- SetLogLevel()
: OBForceField
- SetLoRate()
: OBRateData
- SetLoT()
: OBNasaThermoData
- SetMaxLogEntries()
: OBMessageHandler
- SetMidT()
: OBNasaThermoData
- SetMoreFilesToCome()
: OBConversion
- SetName()
: OBResidue
- SetNegativeStereo()
: OBAtom
- SetNum()
: OBResidue
- SetNumberOfPoints()
: OBFloatGrid
, OBGridData
- SetNumCoords()
: OBRotor
- SetNumSymmetries()
: OBGridData
- SetOffset()
: OBUnitCell
- SetOneObjectOnly()
: OBConversion
- SetOptions()
: OBConversion
- SetOrigin()
: OBGenericData
- SetOutFormat()
: OBConversion
- SetOutputIndex()
: OBConversion
- SetOutputLevel()
: OBMessageHandler
- SetOutputStream()
: OBMessageHandler
- SetOutStream()
: OBConversion
- SetParameterFile()
: OBForceField
- SetParent()
: OBAtom
, OBBond
, OBRing
- SetPartialCharge()
: OBAtom
- SetPartialCharges()
: OBForceField
- SetPartialChargesPerceived()
: OBMol
- SetPhase()
: OBNasaThermoData
- SetPointGroup()
: OBSymmetryData
- SetPositiveStereo()
: OBAtom
- SetQuiet()
: OBRotorList
- SetRangeOff()
: OBBitVec
- SetRangeOn()
: OBBitVec
- SetRate()
: OBRateData
- SetReadDirectory()
: OBGlobalDataBase
- SetResidue()
: OBAtom
- SetResName()
: OBResidueData
- SetReversible()
: OBReaction
- SetRingAtomsAndBondsPerceived()
: OBMol
- SetRingTypesPerceived()
: OBMol
- SetRotAtoms()
: OBRotor
, OBRotorList
- SetRotAtomsByFix()
: OBRotorList
- SetRotor()
: OBRotor
- SetRow()
: matrix3x3
- SetSerialNum()
: OBResidue
- SetSource()
: FilteringInputStreambuf
- SetSpaceGroup()
: OBUnitCell
, OBSymmetryData
, OBUnitCell
- SetSpinMultiplicity()
: OBAtom
- SetSpinMultiplicityAssigned()
: OBMol
- SetSSSRPerceived()
: OBMol
- SetStartAndEnd()
: OBConversion
- SetTitle()
: OBReaction
, OBMol
- SetToAngle()
: OBRotor
- SetTorsion()
: OBMol
- SetTorsionValues()
: OBRotor
- SetTotalCharge()
: OBMol
- SetTotalSpinMultiplicity()
: OBMol
- SetToType()
: OBTypeTable
- SetTransitionState()
: OBReaction
- SetTroeParams()
: OBRateData
- SetType()
: OBAtom
, OBRing
, OBScoreGrid
, OBRing
- SetTypes()
: OBForceField
- SetUnit()
: OBGridData
- SetUnrestricted()
: OBGridData
- Setup()
: OBRotamerList
, OBRotorList
- SetUp()
: OBBond
- Setup()
: OBScoreGrid
, OBPointGroup
, OBForceField
, OBRotamerList
, OBScoreGrid
, OBProxGrid
, OBFFConstraints
, OBProxGrid
, OBForceField
, OBScoreGrid
- SetupCalculations()
: OBForceField
- SetUpdateFrequency()
: OBForceField
- SetupPointers()
: OBForceField
, OBFFCalculation3
, OBFFCalculation4
, OBFFCalculation2
- SetupReader()
: XMLConversion
- SetupRotMat()
: matrix3x3
- SetupWriter()
: XMLConversion
- SetVals()
: OBFloatGrid
- SetValue()
: OBPairTemplate
, OBPairData
, OBGridData
, OBFloatGrid
- SetValues()
: OBGridData
, GasteigerState
- SetVDWCutOff()
: OBForceField
- SetVector()
: OBAtom
- SetVelocities()
: OBConformerData
- SetVerbose()
: OBScoreGrid
- SetWedge()
: OBBond
- SetX()
: vector3
- SetXAxis()
: OBFloatGrid
- SetY()
: vector3
- SetYAxis()
: OBFloatGrid
- SetZ()
: vector3
- SetZAxis()
: OBFloatGrid
- Simple
: LineSearchType
- size()
: OBAtomClassData
- Size()
: OBRotor
, OBRotorList
, OBFFConstraints
, OBRing
- SkipObjects()
: OBFormat
, XMLBaseFormat
- SkipXML()
: XMLConversion
- Sleep()
: DLHandler
- SmallestBondAngle()
: OBAtom
- SortByIndex()
: OBAngle
- SortRings()
: OBRingSearch
- SpaceGroup()
: SpaceGroup
- SpecificationURL()
: OBFormat
- Sqrt()
: OBSqrtTbl
- src
: BondSpec
- SRI
: OBRateData
- Start()
: OBStopwatch
- start_kekulize()
: OBMol
- StartErrorWrap()
: OBMessageHandler
- StartLogging()
: OBMessageHandler
- StartNumber
: OBConversion
- SteepestDescent()
: OBForceField
- SteepestDescentInitialize()
: OBForceField
- SteepestDescentTakeNSteps()
: OBForceField
- StopErrorWrap()
: OBMessageHandler
- StopLogging()
: OBMessageHandler
- StripSalts()
: OBMol
- SupportedInputFormat
: OBConversion
- SupportedOutputFormat
: OBConversion
- Swap()
: OBBuilder
- SYMMETRIC
: OBRotationData
- SymNum
: OBRotationData
- sync()
: obLogBuf
, FilteringInputStreambuf
- SystematicRotorSearch()
: OBForceField
- SystematicRotorSearchInitialize()
: OBForceField
- SystematicRotorSearchNextConformer()
: OBForceField