RDKit
Open-source cheminformatics and machine learning.
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Here is a list of all functions with links to the classes they belong to:
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_
~
- n -
Name() :
RDKit::atomicData
nBits() :
RDKit::FPBReader
,
RDKit::MultiFPBReader
needsCleanup() :
RDKit::RDValue
needsUpdatePropertyCache() :
RDKit::Atom
,
RDKit::ROMol
negateAlpha() :
RDKit::GaussianShape::ShapeInput
NetworkEdge() :
RDKit::ScaffoldNetwork::NetworkEdge
NewBond() :
RDKit::FMCS::NewBond
newBondDuplicateChild() :
RDKit::CIPLabeler::Node
newBondLine() :
RDKit::MolDraw2D_detail::DrawMol
newChild() :
RDKit::CIPLabeler::Node
newImplicitHydrogenChild() :
RDKit::CIPLabeler::Node
newRingDuplicateChild() :
RDKit::CIPLabeler::Node
next() :
RDKit::CartesianProduct
,
RDKit::CartesianProductStrategy
,
RDKit::EnumerateLibrary
,
RDKit::EnumerateLibraryBase
,
RDKit::EnumerateStereoisomers::StereoisomerEnumerator
,
RDKit::EnumerationStrategyBase
,
RDKit::EvenSamplePairsStrategy
,
RDKit::RandomSampleAllBBsStrategy
,
RDKit::RandomSampleStrategy
,
RDKit::ResonanceMolSupplier
,
RDKit::RGroupDecompData::UsedLabels
,
RDKit::v1::MolSupplier
,
RDKit::v2::FileParsers::ForwardSDMolSupplier
,
RDKit::v2::FileParsers::MolSupplier
,
RDKit::v2::FileParsers::SDMolSupplier
,
RDKit::v2::FileParsers::SmilesMolSupplier
,
RDKit::v2::FileParsers::TDTMolSupplier
nextShared() :
RDKit::v2::FileParsers::ForwardSDMolSupplier
nextSmiles() :
RDKit::EnumerateLibraryBase
noAdjustments() :
RDKit::MolOps::AdjustQueryParameters
Node() :
RDKit::CIPLabeler::Node
NonbondedContrib() :
ForceFields::MMFF::NonbondedContrib
normalize() :
Point2D
,
RDGeom::Point2D
,
RDGeom::Point3D
,
RDGeom::Point
,
RDGeom::PointND
,
RDKit::MolDraw2D_detail::Point2D
,
RDKit::MolStandardize::Normalizer
,
RDNumeric::Vector< TYPE >
normalizeCoords() :
RDKit::GaussianShape::ShapeInput
normalizeInPlace() :
RDKit::MolStandardize::Normalizer
Normalizer() :
RDKit::MolStandardize::Normalizer
normalizeWeights() :
RDKit::MolChemicalFeatureDef
normL1() :
RDNumeric::Vector< TYPE >
normL2() :
RDNumeric::Vector< TYPE >
normL2Sq() :
RDNumeric::Vector< TYPE >
normLinfinity() :
RDNumeric::Vector< TYPE >
Not() :
RDKit::FilterMatchOps::Not
numAtomRings() :
RDKit::RingInfo
numberDecompositions() :
RDKit::RGroupGa
numberPermutations() :
RDKit::RGroupGa
numBondRings() :
RDKit::RingInfo
numCols() :
RDNumeric::Matrix< TYPE >
,
RDNumeric::SymmMatrix< TYPE >
numerator() :
RDKit::CIPLabeler::FractionalAtomicNum
numFusedBonds() :
RDKit::RingInfo
numFusedRingNeighbors() :
RDKit::RingInfo
numMols() :
RDKit::MolWriter
,
RDKit::PDBWriter
,
RDKit::SDWriter
,
RDKit::SmilesWriter
,
RDKit::TDTWriter
NumOuterShellElec() :
RDKit::atomicData
numParts() :
RDKit::RascalMCES::PartitionSet
numPoints() :
ForceFields::ForceField
,
RDKit::Trajectory
numRelevantCycles() :
RDKit::RingInfo
numRingFamilies() :
RDKit::RingInfo
numRings() :
RDKit::RingInfo
numRows() :
RDNumeric::Matrix< TYPE >
,
RDNumeric::SymmMatrix< TYPE >
NumValence() :
RDKit::atomicData
Generated on
for RDKit by
1.17.0