Open Babel: Class Members - Functions

### - s -

- SaveUniqueRing() : OBRingSearch
- Score() : OBConformerScore , OBEnergyConformerScore , OBRMSDConformerScore
- Search() : OBConformerSearch
- Seed() : OBRandom
- seekoff() : FilteringInputStreambuf< Extractor >
- seekpos() : FilteringInputStreambuf< Extractor >
- SelectRootAtoms() : OBAromaticTyper
- Separate() : OBMol
- Set() : vector3 , OBBond , OBRotor , matrix3x3
- SetAccuracy() : OBSpectrophore
- SetAlias() : AliasData
- SetAliasMode() : OBDepict
- SetAlphaOrbitals() : OBOrbitalData
- 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
- SetBetaOrbitals() : OBOrbitalData
- SetBit() : OBFingerprint
- SetBitOff() : OBBitVec
- SetBitOn() : OBBitVec
- SetBO() : OBBond
- SetBond() : OBExternalBond , OBRotor
- SetBondColor() : OBDepict
- SetBondLength() : OBDepict
- SetBondOrder() : OBBond
- SetBondSpacing() : OBDepict
- SetBondWidth() : OBDepict
- SetChain() : OBResidue
- SetChainNum() : OBResidue
- SetChainsPerceived() : OBMol
- SetChiral() : OBAtom
- SetChiralityPerceived() : OBMol
- SetClockwiseStereo() : OBAtom
- SetClosure() : OBBond
- SetClosureBondsPerceived() : OBMol
- SetCoeff() : OBNasaThermoData
- SetColor() : AliasData
- SetColumn() : matrix3x3
- SetComment() : OBReaction
- SetConfig() : OBCisTransStereo , OBSquarePlanarStereo , OBTetrahedralStereo
- SetConformer() : OBMol
- SetConformers() : OBForceField , OBMol
- SetConstraints() : OBForceField
- SetConvergence() : OBConformerSearch
- SetCoordinates() : OBForceField , OBMol
- SetCoordPtr() : OBAtom
- SetCorrectedForPH() : OBMol
- SetCurrentCoordinates() : OBRotamerList
- SetData() : OBBase , OBCommentData , OBExternalBondData , OBSetData , OBRingData , OBUnitCell , OBConformerData , OBSymmetryData , OBTorsion , OBTorsionData , OBAngleData , OBSerialNums , OBVibrationData , OBDOSData , OBOrbital , OBElectronicTransitionData , OBRotationData , OBVectorData , OBMatrixData
- SetDelta() : OBRotorRule , OBRotor
- SetDihedralAtoms() : OBRotor
- SetDimension() : OBConformerData , OBMol
- SetDisplacements() : OBConformerData
- SetDown() : OBBond
- SetEDipole() : OBElectronicTransitionData
- SetEfficiency() : OBRateData
- SetElectrostaticCutOff() : OBForceField
- SetEnd() : OBBond
- SetEnergies() : OBConformerData , OBMol
- SetEnergy() : OBMol
- SetEnvironmentVariable() : OBGlobalDataBase
- SetEvalAtoms() : OBRotor , OBRotorList
- SetFactor() : OBFFConstraints
- SetFilename() : OBRotorRules
- SetFillColor() : OBPainter
- SetFilter() : OBConformerSearch
- SetFirstInput() : OBConversion
- SetFixAtom() : OBForceField
- SetFixAtoms() : OBRotorList
- SetFixedAtoms() : OBRotor
- SetFixedBonds() : OBConformerSearch , OBRotor , OBRotorList
- SetFlag() : OBAtom , OBBond , OBMol
- SetFlags() : OBFingerprint , OBMol
- SetFontFamily() : OBDepict , OBPainter
- SetFontSize() : OBDepict , OBPainter
- SetForces() : OBConformerData
- SetFormalCharge() : OBAtom
- SetFormalCharges() : OBForceField
- SetFormula() : OBMol
- SetFromType() : OBTypeTable
- SetGradient() : OBForceField
- SetGridType() : OBProxGrid
- SetHallName() : SpaceGroup
- SetHash() : OBBond
- SetHetAtom() : OBResidue
- SetHiT() : OBNasaThermoData
- SetHMName() : SpaceGroup
- SetHOMO() : OBOrbitalData
- SetHyb() : OBAtom
- SetHybAndGeom() : OBAtom
- SetHybridizationPerceived() : OBMol
- SetHydrogensAdded() : OBMol
- SetId() : OBAtom , OBBond , 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
- SetIsPatternStructure() : OBMol
- SetKDouble() : OBBond
- SetKeepRings() : OBBuilder
- 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
- SetLSSRPerceived() : OBMol
- SetMaxLogEntries() : OBMessageHandler
- SetMidT() : OBNasaThermoData
- SetMoreFilesToCome() : OBConversion
- SetMutability() : OBConformerSearch
- SetName() : OBResidue
- SetNegativeStereo() : OBAtom
- SetNormalization() : OBSpectrophore
- SetNum() : OBResidue
- SetNumberOfPoints() : OBFloatGrid , OBGridData
- SetNumChildren() : OBConformerSearch
- SetNumConformers() : OBConformerSearch
- SetNumCoords() : OBRotor
- SetNumSymmetries() : OBGridData
- SetOffset() : OBUnitCell
- SetOneObjectOnly() : OBConversion
- SetOpenShell() : OBOrbitalData
- SetOption() : OBDepict
- 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
- SetPenColor() : OBPainter
- SetPenWidth() : OBPainter , OBDepict
- SetPhase() : OBNasaThermoData
- SetPointGroup() : OBSymmetryData
- SetPositiveStereo() : OBAtom
- SetQuiet() : OBRotorList
- SetRangeOff() : OBBitVec
- SetRangeOn() : OBBitVec
- SetRate() : OBRateData
- SetReadDirectory() : OBGlobalDataBase
- SetRef() : OBAlign
- SetRefMol() : OBAlign
- SetResidue() : OBAtom
- SetResName() : OBResidueData
- SetResolution() : OBSpectrophore
- SetReversible() : OBReaction
- SetRingAtomsAndBondsPerceived() : OBMol
- SetRingTypesPerceived() : OBMol
- SetRotAtoms() : OBRotor , OBRotorList
- SetRotAtomsByFix() : OBRotorList
- SetRotatoryStrengthsLength() : OBElectronicTransitionData
- SetRotatoryStrengthsVelocity() : OBElectronicTransitionData
- SetRotor() : OBRotor
- SetRow() : matrix3x3
- SetScore() : OBConformerSearch
- SetSerialNum() : OBResidue
- SetSource() : FilteringInputStreambuf< Extractor >
- SetSpaceGroup() : OBUnitCell , OBSymmetryData
- SetSpecified() : OBStereoBase
- SetSpinMultiplicity() : OBAtom
- SetSpinMultiplicityAssigned() : OBMol
- SetSSSRPerceived() : OBMol
- SetStartAndEnd() : OBConversion
- SetStereo() : OBSpectrophore
- SetTarget() : OBAlign
- SetTargetMol() : OBAlign
- SetText() : OBText
- SetTimeout() : OBIsomorphismMapper
- SetTitle() : OBBase , OBMol , OBReaction , OBMol
- SetToAngle() : OBRotor
- SetTorsion() : OBMol
- SetTorsionValues() : OBRotor
- SetTotalCharge() : OBMol
- SetTotalSpinMultiplicity() : OBMol
- SetToType() : OBTypeTable
- SetTransitionState() : OBReaction
- SetTroeParams() : OBRateData
- SetType() : OBAtom , OBRing , OBAtom , OBRing , OBScoreGrid
- SetTypes() : OBForceField
- SetUnit() : OBGridData
- SetUnrestricted() : OBGridData
- Setup() : OBRotamerList , OBProxGrid , OBForceField , OBScoreGrid , OBRotamerList , OBScoreGrid , OBConformerSearch , OBFFConstraints , OBPointGroup , OBScoreGrid , OBRotorList
- SetUp() : OBBond
- Setup() : OBProxGrid , OBForceField
- SetupAtomMatchTable() : OBSmartsMatcher
- SetupCalculations() : OBForceField
- SetUpdateFrequency() : OBForceField
- SetupPointers() : OBForceField , OBFFCalculation3 , OBFFCalculation4 , OBFFCalculation2
- SetupReader() : XMLConversion
- SetupRotMat() : matrix3x3
- SetupWriter() : XMLConversion
- SetVals() : OBFloatGrid
- SetValue() : OBFloatGrid , OBPairData , OBPairTemplate< ValueT > , OBPairData , OBGridData
- SetValues() : GasteigerState , OBGridData
- SetVDWCutOff() : OBForceField
- SetVector() : OBAtom
- SetVelocities() : OBConformerData
- SetVerbose() : OBScoreGrid
- SetWedge() : OBBond
- SetWedgeOrHash() : OBBond
- SetX() : vector3
- SetXAxis() : OBFloatGrid
- SetY() : vector3
- SetYAxis() : OBFloatGrid
- SetZ() : vector3
- SetZAxis() : OBFloatGrid
- Size() : OBRing
- size() : OBAtomClassData
- Size() : OBFFConstraints , OBRotor , OBRotorList
- SkipObjects() : XMLBaseFormat , OBFormat
- SkipXML() : XMLConversion
- Sleep() : DLHandler
- SmallestBondAngle() : OBAtom
- SMARTSError() : OBSmartsPattern
- SMARTSParser() : OBSmartsPattern
- SortByIndex() : OBAngle
- SortRings() : OBRingSearch
- SpaceGroup() : SpaceGroup
- 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
- Swap() : OBBuilder
- sync() : FilteringInputStreambuf< Extractor > , obLogBuf
- SystematicRotorSearch() : OBForceField
- SystematicRotorSearchInitialize() : OBForceField
- SystematicRotorSearchNextConformer() : OBForceField

All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines