Getting Started
Release Notes 2020.1
Release Notes 2020.0
Toolkit API
Release Cycle
OEChem Toolkit
Introduction
OEChem Theory
OESystem Theory
OEBio Theory
OEGrid Theory
Examples
OEChem API
OEChem Classes
OEChem Constants
OEChem Functions
OE3DToAtomStereo
OE3DToBondStereo
OE3DToInternalStereo
OEAcyclicPath
OEAddCustomFASTAResidue
OEAddExplicitHydrogens
OEAddMols
OEAddPDBData
OEAddSDData
OEAssignAromaticFlags
OEAssignBondiVdWRadii
OEAssignCovalentRadii
OEAssignDelphiRadii
OEAssignFormalCharges
OEAssignHonigIonicCavityRadii
OEAssignHybridization
OEAssignImplicitHydrogens
OEAssignMDLHydrogens
OEAssignPaulingVdWRadii
OEAssignRadii
OEAssignResidueNumbers
OEAssignSerialNumbers
OEAssignZap7Radii
OEAssignZap9Radii
OEAtomGetMDLParity
OEAtomGetResidue
OEAtomGetSmallestRingSize
OEAtomIsInAromaticRingSize
OEAtomIsInRingSize
OEAtomSetMDLParity
OEAtomSetResidue
OEBAtomIntTypeOpts
OEBDefaultOpts
OEBGZipCompressOpts
OEBondGetSmallestRingSize
OEBondIsInAromaticRingSize
OEBondIsInRingSize
OEBRotCompressOpts
OEBuildMDLQueryExpressions
OECalcCartesianCoord
OECalcInternalCoord
OECalculateMolecularWeight
OECanonicalOrderAtoms
OECanonicalOrderBonds
OECenter
OECheckAtomValence
OECheckAtomValences
OEChemGetArch
OEChemGetLicensee
OEChemGetPlatform
OEChemGetRelease
OEChemGetSite
OEChemGetVersion
OEChemIsLicensed
OEClear2DRingDictionary
OEClearAromaticFlags
OEClearChiralPerception
OEClearPartialCharges
OEClearPDBData
OEClearResidue
OEClearResidues
OEClearRotorCompressData
OEClearSDData
OECopyMol
OECopyPDBData
OECopySDData
OECorrectAcidProtonGeometry
OECount
OECreateAbsSmiString
OECreateCanSmiString
OECreateCSVHeader
OECreateInChIKey
OECreateInChI
OECreateIsoSmiString
OECreateMolDatabaseIdx
OECreateSlnString
OECreateSmiString
OEDefaultImplicitHCount
OEDefaultMDLHCount
OEDeleteEverythingExceptTheFirstLargestComponent
OEDeletePDBData
OEDeleteSDData
OEDetermineAromaticRingSystems
OEDetermineComponents
OEDetermineConnectivity
OEDetermineReactants
OEDetermineRingSystems
OEDisassembleExpressions
OEDoubleBondCount
OEDoubleBondOCount
OEElementHistogram
OEEulerRotate
OEExactGraphMatch
OEExpandSuperAtoms
OEExtractRingTemplates
OEFastaToMol
OEFindRingAtomsAndBonds
OEFormalPartialCharges
OEGasteigerInitialCharges
OEGasteigerPartialCharges
OEGenerate2DCoordinates
OEGetAbsTorsion
OEGetAminoAcidCode
OEGetAngle
OEGetAnisou
OEGetAtomComment
OEGetAtomicNum
OEGetAtomicSymbol
OEGetAutomorphs
OEGetAverageWeight
OEGetBondiVdWRadius
OEGetCenterAndExtents
OEGetCenterOfMass
OEGetComment
OEGetCovalentRadius
OEGetDefaultIFlavor
OEGetDefaultOFlavor
OEGetDefaultMass
OEGetDelphiRadius
OEGetDimensionFromCoords
OEGetDistance2
OEGetDistance
OEGetDoubleBondNeighbor
OEGetFileExtension
OEGetFileType
OEGetFormatExtension
OEGetFormatString
OEGetHonigIonicCavityRadius
OEGetHybridization
OEGetIsotopicWeight
OEGetMCSExhaustiveSearchTruncationLimit
OEGetMDLDimensionFromCoords
OEGetMolDatabaseIdxFileName
OEGetMolDBIdx
OEGetNearestNbrs
OEGetOEGraphMol
OEGetOEMol
OEGetOEQMol
OEGetOtherNeighbor
OEGetPackedCoords
OEGetPathLength
OEGetPaulingVdWRadius
OEGetPDBAtomIndex
OEGetPDBAtomName
OEGetPDBBaseData
OEGetPDBDataPairs
OEGetPDBData
OEGetRadiiTypeName
OEGetResidueIndex
OEGetResidueIndexFromCode
OEGetResidueName
OEGetSDBaseData
OEGetSDDataPairs
OEGetSDData
OEGetSingleBondNeighbor
OEGetSmallestSubtree
OEGetSmiStringOrder
OEGetSoleBond
OEGetSoleDoubleBond
OEGetSoleNeighbor
OEGetSoleSingleBond
OEGetSoleTripleBond
OEGetSubtree
OEGetTokenizer
OEGetTorsion
OEGetTorsions
OEGetTripleBondNeighbor
OEGetUniMolecularRxnIter
OEHasAtomStereoHydrogens
OEHasBondStereoHydrogens
OEHasDoubleBondO
OEHasDoubleBond
OEHasExplicitHydrogens
OEHasExplicitHydrogenExpression
OEHasImplicitHydrogens
OEHasImplicitHydrogenExpression
OEHasMolDBIdx
OEHasMultipleBond
OEHasPartialCharges
OEHasPDBData
OEHasResidue
OEHasResidues
OEHasSDData
OEHasSingleBond
OEHasStereoHydrogens
OEHasTokenizer
OEHasTripleBond
OEHistogramFormula
OEInChIToMol
OEInit2DRingDictionary
OEInitDefaultHandler
OEInitHandler
OEInvertCenter
OEIs2DFormat
OEIs3DFormat
OEIsBinary
OEIsCommonIsotope
OEIsExtension
OEIsGZip
OEIsReadable
OEIsSDDataFormat
OEIsTerminalOxygen
OEIsTerminalSulfur
OEIsValid2DRingDictionary
OEIsWriteable
OEKekulize
OEMacroModelAtomTypeNames
OEMacroModelAtomTypes
OEMacroModelTypeElement
OEMacroModelTypeName
OEMacroModelTypeNames
OEMDLClearBondStereo
OEMDLClearParity
OEMDLCorrectBondStereo
OEMDLGetParity
OEMDLGetValence
OEMDLHasIncorrectBondStereo
OEMDLHasParity
OEMDLPerceiveBondStereo
OEMDLPerceiveParity
OEMDLSetParity
OEMDLStereoFromBondStereo
OEMDLStereoFromParity
OEMMFF94InitialCharges
OEMMFF94PartialCharges
OEMMFFAtomTypeNames
OEMMFFAtomType
OEMMFFAtomTypes
OEMMFFClearRemappedElements
OEMMFFRemapElement
OEMMFFTypeIndex
OEMMFFTypeName
OEMMFFTypeNames
OEMolecularFormula
OEMolToInChIKey
OEMolToInChI
OEMolToSmiles
OEMolToSTDInChIKey
OEMolToSTDInChI
OEMultipleBondCount
OENetCharge
OENewMCMolBase
OENewMolBase
OENewQMolBase
OENormalize
OEOverlayConfsByRMSD
OEParseInChI
OEParseSmarts
OEParseSmiles
OEParseSmirks
OEPDBOrderAtoms
OEPerceiveBondOrders
OEPerceiveChiral
OEPerceiveCIPStereo
OEPerceiveResidues
OEPerceiveSymmetry
OEPRECompress
OEPrepareSearch
OEPreserveRotCompress
OERandomizeTorsions
OEReadCDXFile
OEReadCSVFile
OEReadCSVHeader
OEReadFASTAFile
OEReadMacroModelFile
OEReadMDLFile
OEReadMDLQueryFile
OEReadMDLReactionQueryFile
OEReadMol2File
OEReadMolecule
OEReadMolFromBytes
OEReadMOPACFile
OEReadOEBFile
OEReadPDBFile
OEReadRxnFile
OEReadSketchFile
OEReadXYZFile
OEResidueHydrogens
OEResidueToString
OERingBondCount
OERMSD
OERotate
OESameChain
OESameResidue
OEScrambleMolecule
OESet2DHydrogenGeom
OESet3DHydrogenGeom
OESetAngle
OESetAnisou
OESetAtomComment
OESetCIPStereo
OESetComment
OESetDefaultFlavors
OESetDefaultIFlavors
OESetDefaultOFlavors
OESetDimensionFromCoords
OESetDistance
OESetMCSExhaustiveSearchTruncationLimit
OESetMDLDimensionFromCoords
OESetOEGraphMol
OESetOEMol
OESetOEQMol
OESetPackedCoords
OESetPDBData
OESetSDData
OESetTorsion
OEShortestPath
OESingleBondCount
OESmartsLexReplace
OESmilesAtomCount
OESmilesToMol
OESortConfsBySDTag
OESortConfsByTag
OEString2OEAtomExpr
OEString2OEBondExpr
OESubsetMol
OESuppressHydrogens
OESweepRotorCompressHydrogens
OESymmetryNumber
OETerminalOCount
OETerminalSCount
OETheFunctionFormerlyKnownAsStripSalts
OETranslate
OETrimConformers
OETripleBondCount
OETriposAtomNames
OETriposAtomTypeNames
OETriposAtomType
OETriposAtomTypes
OETriposBondTypeNames
OETriposOrderAtoms
OETriposResonantTypeNames
OETriposTypeElement
OETriposTypeIndex
OETriposTypeName
OETriposTypeNames
OEUncolorMol
OEWeightedRMSD
OEWrite2DRingDictionary
OEWriteCDXFile
OEWriteConstMolecule
OEWriteCSVFile
OEWriteCSVHeader
OEWriteFASTAFile
OEWriteMacroModelFile
OEWriteMDLFile
OEWriteMol2File
OEWriteMolecule
OEWriteMolToBytes
OEWriteMOPACInputFile
OEWritePDBFile
OEWriteXYZFile
Preliminary OEChem API
OESystem API
Preliminary OESystem API
OEPlatform API
OEMath API
OEBio API
Preliminary OEBio API
Release Notes
Glossary and Bibliography
Indices and tables
OEDepict Toolkit
Grapheme Toolkit
GraphSim Toolkit
Lexichem Toolkit
OEMedChem Toolkit
MolProp Toolkit
Quacpac Toolkit
FastROCS Toolkit
OEFF Toolkit
OEDocking Toolkit
Omega Toolkit
Shape Toolkit
Spicoli Toolkit
Spruce Toolkit
Szmap Toolkit
Szybki Toolkit
Zap Toolkit
Toolkits--python
Docs
»
OEChem Toolkit 3.0.0.5
»
OEChem Functions
»
OETriposResonantTypeNames
OETriposResonantTypeNames
ΒΆ
void
OETriposResonantTypeNames
(
OEMolBase
&
mol
)