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CairoPainter
OpenBabel::CairoPainter
calc_rms
OpenBabel
CalcBondLength
OpenBabel::OBRotor
CalcSignedVolume
OpenBabel
CalcTorsion
OpenBabel::OBRotor
CalcTorsionAngle
OpenBabel
CanBeNormalized
OpenBabel::vector3
CanBeSquared
OpenBabel
CanonicalLabels
OpenBabel
canonizeMCDL
OpenBabel
CartesianToFractional
OpenBabel::OBUnitCell
CartesianToInternal
OpenBabel
CastAndClear
OpenBabel::OBBase
Center
OpenBabel::OBFloatGrid::Center()
OpenBabel::OBScoreGrid::Center()
OpenBabel::OBMol::Center()
OpenBabel::OBMol::Center(int nconf)
center_coords
OpenBabel::center_coords(double *, int)
OpenBabel::center_coords(double *c, unsigned int size)
CenterMol
OpenBabel::OBScoreGrid
changeParity
OpenBabel
changeParityBond
OpenBabel
ChangeView
OpenBabel::OBTetraNonPlanarStereo
ChangeWinding
OpenBabel::OBTetraNonPlanarStereo
CheckAromaticity
OpenBabel::OBAromaticTyper
CheckForUnintendedBatch
OpenBabel::OBConversion
CheckFP
OpenBabel::FptIndex
CisTransFrom0D
OpenBabel
CisTransFrom2D
OpenBabel
CisTransFrom3D
OpenBabel
ClassCount
OpenBabel
ClassDescription
OpenBabel::OBBase::ClassDescription()
OpenBabel::OBMol::ClassDescription()
OpenBabel::OBReaction::ClassDescription()
CleanAtomType
OpenBabel
clear
OpenBabel::OBFFParameter::clear()
OpenBabel::OBAtom::Clear()
OpenBabel::OBAtomClassData::Clear()
OpenBabel::OBBase::Clear()
OpenBabel::OBBitVec::Clear()
OpenBabel::OBFFConstraints::Clear()
OpenBabel::OBTorsion::Clear()
OpenBabel::OBTorsionData::Clear()
OpenBabel::OBAngle::Clear()
OpenBabel::OBAngleData::Clear()
OpenBabel::OBChiralData::Clear()
OpenBabel::OBScoreGrid::Clear()
OpenBabel::OBMol::Clear()
OpenBabel::OBReaction::Clear()
OpenBabel::OBResidue::Clear()
OpenBabel::OBRotorList::Clear()
OpenBabel::OBRotorKeys::Clear()
ClearBond
OpenBabel::OBAtom
ClearCoordPtr
OpenBabel::OBAtom
ClearGradients
OpenBabel::OBForceField
ClearGroups
OpenBabel::OBForceField
ClearLog
OpenBabel::OBMessageHandler
ClearOptions
OpenBabel::OBDepict
ClearSymmetry
OpenBabel::OBGraphSym
Clone
OpenBabel::AliasData::Clone()
OpenBabel::OBAtomClassData::Clone()
OpenBabel::OBGenericData::Clone()
OpenBabel::OBCommentData::Clone()
OpenBabel::OBExternalBondData::Clone()
OpenBabel::OBPairData::Clone()
OpenBabel::OBSetData::Clone()
OpenBabel::OBVirtualBond::Clone()
OpenBabel::OBRingData::Clone()
OpenBabel::OBUnitCell::Clone()
OpenBabel::OBConformerData::Clone()
OpenBabel::OBSymmetryData::Clone()
OpenBabel::OBTorsionData::Clone()
OpenBabel::OBAngleData::Clone()
OpenBabel::OBChiralData::Clone()
OpenBabel::OBSerialNums::Clone()
OpenBabel::OBVibrationData::Clone()
OpenBabel::OBDOSData::Clone()
OpenBabel::OBOrbitalData::Clone()
OpenBabel::OBElectronicTransitionData::Clone()
OpenBabel::OBRotationData::Clone()
OpenBabel::OBVectorData::Clone()
OpenBabel::OBMatrixData::Clone()
OpenBabel::OBRateData::Clone()
OpenBabel::OBNasaThermoData::Clone()
OpenBabel::OBRotamerList::Clone()
OpenBabel::OBCisTransStereo::Clone()
OpenBabel::OBSquarePlanarStereo::Clone()
OpenBabel::OBTetrahedralStereo::Clone()
CloneData
OpenBabel::OBBase
CloseOutFile
OpenBabel::OBConversion
Compare
OpenBabel::OBDescriptor
compareAtoms
OpenBabel
CompareBondPairSecond
OpenBabel
ComparePairFirst
OpenBabel
ComparePairSecond
OpenBabel
CompareRingSize
OpenBabel
CompareRotor
OpenBabel::CompareRotor(const pair< int, int > &a, const pair< int, int > &b)
OpenBabel::CompareRotor(const pair< OBBond *, int > &, const pair< OBBond *, int > &)
compareStringsNumbers
OpenBabel
CompareStringWithFilter
OpenBabel::OBDescriptor
CompareUnsigned
OpenBabel
CompileAutomorphismQuery
OpenBabel
CompileMoleculeQuery
OpenBabel
CompileSmilesQuery
OpenBabel
ComputeCharges
OpenBabel::OBChargeModel
Config
OpenBabel::OBScoreGrid::Config()
OpenBabel::OBCisTransStereo::Config::Config()
OpenBabel::OBCisTransStereo::Config::Config(unsigned long _begin, unsigned long _end, const OBStereo::Refs &_refs, OBStereo::Shape _shape=OBStereo::ShapeU)
OpenBabel::OBSquarePlanarStereo::Config::Config()
OpenBabel::OBSquarePlanarStereo::Config::Config(unsigned long _center, const OBStereo::Refs &_refs, OBStereo::Shape _shape=OBStereo::ShapeU)
OpenBabel::OBTetrahedralStereo::Config::Config()
OpenBabel::OBTetrahedralStereo::Config::Config(unsigned long _center, unsigned long from_or_towards, const OBStereo::Refs &_refs, OBStereo::Winding _winding=OBStereo::Clockwise, OBStereo::View _view=OBStereo::ViewFrom)
ConjugateGradients
OpenBabel::OBForceField
ConjugateGradientsInitialize
OpenBabel::OBForceField
ConjugateGradientsTakeNSteps
OpenBabel::OBForceField
Connect
OpenBabel::OBBuilder::Connect(OBMol &mol, int a, int b, vector3 &newpos, int bondOrder=1)
OpenBabel::OBBuilder::Connect(OBMol &mol, int a, int b, int bondOrder=1)
ConnectTheDots
OpenBabel::OBMol
ConstrainRecursion
OpenBabel
construct_c_matrix
OpenBabel
construct_g_matrix
OpenBabel
ContainsRef
OpenBabel::OBStereo
ContainsSameRefs
OpenBabel::OBStereo
ContigFragList
OpenBabel::OBMol
Convert
OpenBabel::OBConversion::Convert(std::istream *is, std::ostream *os)
OpenBabel::OBConversion::Convert()
convert_matrix_f
OpenBabel::convert_matrix_f(std::vector< std::vector< double > > &src, double *dst)
OpenBabel::convert_matrix_f(double *src, std::vector< std::vector< double > > &dst, int rows, int cols)
convert_matrix_f_ff
OpenBabel
convert_matrix_ff
OpenBabel::convert_matrix_ff(std::vector< std::vector< double > > &src, double **dst)
OpenBabel::convert_matrix_ff(double **src, std::vector< std::vector< double > > &dst, int rows, int cols)
convert_matrix_ff_f
OpenBabel
ConvertDativeBonds
OpenBabel::OBMol
CoordsToIndex
OpenBabel::OBFloatGrid::CoordsToIndex(int *, double *)
OpenBabel::OBFloatGrid::CoordsToIndex(double x, double y, double z)
CopyAtomExpr
OpenBabel
CopyBondExpr
OpenBabel
CopyConformer
OpenBabel::OBMol
CopyOptions
OpenBabel::OBConversion
CopyPattern
OpenBabel
CorrectAromaticNitrogens
OpenBabel::OBAtomTyper
CorrectBadResonanceForm
OpenBabel
CorrectChirality
OpenBabel
CorrectedBondRad
OpenBabel::OBElementTable
CorrectedVdwRad
OpenBabel::OBElementTable
CorrectForPH
OpenBabel::OBMol::CorrectForPH()
OpenBabel::OBPhModel::CorrectForPH()
CorrectStereoAtoms
OpenBabel::OBBuilder
CorrectStereoBonds
OpenBabel::OBBuilder
CorrectVelocities
OpenBabel::OBForceField
count_assigned_bonds
OpenBabel
CountBits
OpenBabel::OBBitVec
CountBondsOfOrder
OpenBabel::OBAtom
CountFreeOxygens
OpenBabel::OBAtom
CountRingBonds
OpenBabel::OBAtom
CreateAtom
OpenBabel::OBMol::CreateAtom()
OpenBabel::CreateAtom()
CreateBond
OpenBabel::OBMol::CreateBond()
OpenBabel::CreateBond()
CreateConformerList
OpenBabel::OBRotamerList
CreateNewClassVector
OpenBabel
createOrthoVector
OpenBabel::vector3
CreateResidue
OpenBabel::OBMol
createStereoLists
OpenBabel
cross
OpenBabel
CubeRoot
OpenBabel
CurrentDepth
OpenBabel::OBMolAtomBFSIter::CurrentDepth()
OpenBabel::OBMolBondBFSIter::CurrentDepth()
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