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IdentifyEvalAtoms OpenBabel::OBRotorList
IdentifyPointGroup OpenBabel::OBPointGroup
ignore OpenBabel
IgnoreCalculation
OpenBabel::OBForceField::IgnoreCalculation(int a, int b) OpenBabel::OBForceField::IgnoreCalculation(int a, int b, int c) OpenBabel::OBForceField::IgnoreCalculation(int a, int b, int c, int d)
IgnoreSymmetryRemoval OpenBabel::OBRotorList
implementAtomStereo OpenBabel
implementBondStereo OpenBabel
ImplicitHydrogenCount OpenBabel::OBAtom
incrementAssignment OpenBabel
IncrementedFileName OpenBabel::OBConversion
IncrementImplicitValence OpenBabel::OBAtom
IncrementMod OpenBabel::OBMol
incrementValues OpenBabel
indexOf OpenBabel
IndexToCoords OpenBabel::OBFloatGrid
Init
OpenBabel::OBGlobalDataBase::Init() OpenBabel::OBGrid::Init() OpenBabel::OBFloatGrid::Init() OpenBabel::OBScoreGrid::Init() OpenBabel::OBSqrtTbl::Init() OpenBabel::OBSmartsPattern::Init(const char *pattern) OpenBabel::OBSmartsPattern::Init(const std::string &pattern) OpenBabel::OBChemTsfm::Init() OpenBabel::OBPlugin::Init() OpenBabel::OBRotorList::Init()
Inject OpenBabel::OBFloatGrid
InsertAtom
OpenBabel::OBMol::InsertAtom() OpenBabel::OBResidue::InsertAtom()
InsertBond OpenBabel::OBAtom
InstallStreamFilter OpenBabel::OBConversion
InternalToCartesian OpenBabel
Interpolate OpenBabel::OBFloatGrid
InterpolateDerivatives OpenBabel::OBFloatGrid
intToStr OpenBabel
inverse OpenBabel::matrix3x3
Invert OpenBabel::OBTetraNonPlanarStereo
invert_matrix OpenBabel
invert_matrix_f OpenBabel
invert_matrix_ff OpenBabel
InvertCase
OpenBabel::InvertCase(std::string &, int) OpenBabel::InvertCase(char *cptr) OpenBabel::InvertCase(std::string &s, unsigned int start)
IsAcid OpenBabel::OBChemTsfm
IsAmide OpenBabel::OBBond
IsAmideNitrogen OpenBabel::OBAtom
IsAntiClockwise OpenBabel::OBAtom
IsApprox
OpenBabel::vector3::IsApprox() OpenBabel::IsApprox()
IsApprox_pos OpenBabel
IsAromatic
OpenBabel::OBAtom::IsAromatic() OpenBabel::OBBond::IsAromatic() OpenBabel::OBRing::IsAromatic()
IsAromaticNOxide OpenBabel::OBAtom
IsAxial OpenBabel::OBAtom
IsBase OpenBabel::OBChemTsfm
IsBooleanAtomLeaf OpenBabel
IsCarbon OpenBabel::OBAtom
IsCarbonyl OpenBabel::OBBond
IsCarboxylOxygen OpenBabel::OBAtom
IsChiral
OpenBabel::OBAtom::IsChiral() OpenBabel::OBMol::IsChiral()
IsCis
OpenBabel::OBCisTransStereo::IsCis() OpenBabel::OBSquarePlanarStereo::IsCis()
IsCisOrTrans OpenBabel::OBBond
IsClockwise OpenBabel::OBAtom
IsClosure OpenBabel::OBBond
IsConnected OpenBabel::OBAtom
IsCorrectedForPH OpenBabel::OBMol
IsCutOffEnabled OpenBabel::OBForceField
isDiagonal OpenBabel::matrix3x3
IsDouble OpenBabel::OBBond
IsDoubleBondGeometry OpenBabel::OBBond
IsDown OpenBabel::OBBond
IsEmpty OpenBabel::OBBitVec
IsEster OpenBabel::OBBond
IsExpanded OpenBabel::AliasData
isFerroceneBond OpenBabel
IsFirstInput OpenBabel::OBConversion
IsFixed OpenBabel::OBFFConstraints
IsFixedBond OpenBabel::OBRotorList
IsGood
OpenBabel::OBConformerFilter::IsGood() OpenBabel::OBConformerFilters::IsGood() OpenBabel::OBStericConformerFilter::IsGood() OpenBabel::OBPainter::IsGood()
IsHash OpenBabel::OBBond
IsHbondAcceptor OpenBabel::OBAtom
IsHbondDonor OpenBabel::OBAtom
IsHbondDonorH OpenBabel::OBAtom
IsHetAtom OpenBabel::OBResidue
IsHeteroatom OpenBabel::OBAtom
IsHydrogen
OpenBabel::OBAtom::IsHydrogen() OpenBabel::OBAtom::IsHydrogen() const
IsIgnored OpenBabel::OBFFConstraints
IsInRing
OpenBabel::OBAtom::IsInRing() OpenBabel::OBBond::IsInRing() OpenBabel::OBRing::IsInRing()
IsInRingSize OpenBabel::OBAtom
IsInSameRing OpenBabel::OBForceField
IsInvalidAtom OpenBabel
IsKDouble OpenBabel::OBBond
IsKSingle OpenBabel::OBBond
IsKTriple OpenBabel::OBBond
IsLast
OpenBabel::OBConversion::IsLast() OpenBabel::XMLConversion::IsLast()
IsLastFile OpenBabel::OBConversion
IsMember
OpenBabel::OBRing::IsMember(OBAtom *a) OpenBabel::OBRing::IsMember(OBBond *b)
IsNan OpenBabel
IsNear OpenBabel
IsNearZero OpenBabel
IsNegatingAtomLeaf OpenBabel
IsNegativeStereo OpenBabel::OBAtom
IsNegligible OpenBabel
IsNitrogen OpenBabel::OBAtom
IsNitroOxygen OpenBabel::OBAtom
IsNonPolarHydrogen OpenBabel::OBAtom
IsNotCorH OpenBabel::OBAtom
IsOddPrime OpenBabel
IsOneFour OpenBabel::OBAtom
IsOneThree OpenBabel::OBAtom
IsOnSameAtom OpenBabel::OBCisTransStereo
IsOpenShell OpenBabel::OBOrbitalData
IsOption OpenBabel::OBConversion
isOrthogonal OpenBabel::matrix3x3
IsOxygen OpenBabel::OBAtom
IsPhosphateOxygen OpenBabel::OBAtom
IsPhosphorus OpenBabel::OBAtom
IsPolarHydrogen OpenBabel::OBAtom
IsPositiveStereo OpenBabel::OBAtom
isPotentialAromaticAtom OpenBabel
IsPrimaryAmide OpenBabel::OBBond
IsProtonRotor OpenBabel::OBTorsion
ispunctU OpenBabel::OBDescriptor
isqrt OpenBabel
IsResidueType OpenBabel::OBResidue
IsReversible OpenBabel::OBReaction
IsRotor OpenBabel::OBBond
IsSecondaryAmide OpenBabel::OBBond
IsSetupNeeded OpenBabel::OBForceField
IsSingle OpenBabel::OBBond
IsSpecified OpenBabel::OBStereoBase
IsSpiroAtom OpenBabel::OBBuilder
IsSulfateOxygen OpenBabel::OBAtom
IsSulfur OpenBabel::OBAtom
isSymmetric OpenBabel::matrix3x3
IsTertiaryAmide OpenBabel::OBBond
IsTrans
OpenBabel::OBCisTransStereo::IsTrans() OpenBabel::OBSquarePlanarStereo::IsTrans()
IsTriple OpenBabel::OBBond
Istype OpenBabel::patty
isUnitMatrix OpenBabel::matrix3x3
IsUp OpenBabel::OBBond
IsValid
OpenBabel::OBSmartsPattern::IsValid() OpenBabel::OBRotorRule::IsValid() OpenBabel::SpaceGroup::IsValid() OpenBabel::OBCisTransStereo::IsValid() OpenBabel::OBSquarePlanarStereo::IsValid() OpenBabel::OBTetrahedralStereo::IsValid()
IsWedge OpenBabel::OBBond
IsWedgeOrHash OpenBabel::OBBond
IsXFixed OpenBabel::OBFFConstraints
IsYFixed OpenBabel::OBFFConstraints
IsZFixed OpenBabel::OBFFConstraints
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