RDKit
Open-source cheminformatics and machine learning.
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Here is a list of all class members with links to the classes they belong to:
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_
~
- n -
N_i :
ForceFields::MMFF::MMFFVdW
Name() :
RDKit::atomicData
,
RDKit::MolStandardize::ChargeCorrection
name :
RDKit::FilterData_t
,
RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm
nameColumn :
RDKit::GeneralMolSupplier::SupplierOptions
,
RDKit::v2::FileParsers::SmilesMolSupplierParams
nameRecord :
RDKit::GeneralMolSupplier::SupplierOptions
,
RDKit::v2::FileParsers::TDTMolSupplierParams
nBits() :
RDKit::FPBReader
,
RDKit::MultiFPBReader
nBonds :
RDKit::MolEnumerator::LinkNode
nbr1 :
RDDepict::EmbeddedAtom
nbr2 :
RDDepict::EmbeddedAtom
nbrIds :
RDKit::Canon::canon_atom
nbrIdx :
RDKit::Canon::bondholder
nbrSymClass :
RDKit::Canon::bondholder
needs_init_ :
RDKit::MolDraw2D
needsCleanup() :
RDKit::RDValue
needsUpdatePropertyCache() :
RDKit::Atom
,
RDKit::ROMol
negateAlpha() :
RDKit::GaussianShape::ShapeInput
negated :
RDKit::SLNParse::AttribType
neighborNum :
RDKit::Canon::canon_atom
neighs :
RDDepict::EmbeddedAtom
NetworkEdge() :
RDKit::ScaffoldNetwork::NetworkEdge
NewAtom :
RDKit::FMCS::NewBond
NewAtomIdx :
RDKit::FMCS::NewBond
NewBond() :
RDKit::FMCS::NewBond
newBondDuplicateChild() :
RDKit::CIPLabeler::Node
newBondLine() :
RDKit::MolDraw2D_detail::DrawMol
newChild() :
RDKit::CIPLabeler::Node
newCoreLabel :
RDKit::RGroupDecompData
newCores :
RDKit::RGroupDecompData
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
,
RDPickers::MaxMinPickInfo
nextShared() :
RDKit::v2::FileParsers::ForwardSDMolSupplier
nextSmiles() :
RDKit::EnumerateLibraryBase
nFlipsPerSample :
RDDepict::Compute2DCoordParameters
NIH :
RDKit::FilterCatalogParams
NO_CHANGE :
RDKit::StructureCheck::StructChecker
noAdjustments() :
RDKit::MolOps::AdjustQueryParameters
NOATOM :
RDKit::Atom
noAtomLabels :
RDKit::MolDrawOptions
Node() :
RDKit::CIPLabeler::Node
nodes :
RDKit::ScaffoldNetwork::ScaffoldNetwork
nonAgentWeight :
RDKit::ReactionFingerprintParams
NonbondedContrib() :
ForceFields::MMFF::NonbondedContrib
NONE :
RDKit::Bond
normal :
RDDepict::EmbeddedAtom
normalizationData :
RDKit::MolStandardize::CleanupParameters
normalizations :
RDKit::MolStandardize::CleanupParameters
normalize() :
Point2D
,
RDGeom::Point2D
,
RDGeom::Point3D
,
RDGeom::Point
,
RDGeom::PointND
,
RDKit::GaussianShape::ShapeOverlayOptions
,
RDKit::MolDraw2D_detail::Point2D
,
RDKit::MolStandardize::Normalizer
,
RDNumeric::Vector< TYPE >
normalizeCoords() :
RDKit::GaussianShape::ShapeInput
normalizeInPlace() :
RDKit::MolStandardize::Normalizer
Normalizer() :
RDKit::MolStandardize::Normalizer
normalizerData :
RDKit::MolStandardize::PipelineOptions
normalizerMaxRestarts :
RDKit::MolStandardize::PipelineOptions
normalizeWeights() :
RDKit::MolChemicalFeatureDef
normL1() :
RDNumeric::Vector< TYPE >
normL2() :
RDNumeric::Vector< TYPE >
normL2Sq() :
RDNumeric::Vector< TYPE >
normLinfinity() :
RDNumeric::Vector< TYPE >
Not() :
RDKit::FilterMatchOps::Not
nSamples :
RDDepict::Compute2DCoordParameters
nSteps :
RDKit::GaussianShape::ShapeOverlayOptions
num :
RDCatalog::HierarchCatalog< entryType, paramType, orderType >::vertex_entry_t
numAtomRings() :
RDKit::RingInfo
NumAtoms :
RDKit::MCSProgressData
,
RDKit::MCSResult
,
RDKit::MolStandardize::LargestFragmentChooser::Largest
number :
RDKit::Canon::MolStackElem
numberDecompositions() :
RDKit::RGroupGa
numberFingerprints :
RDKit::VarianceDataForLabel
numberMissingUserRGroups :
RDKit::RGroupMatch
numberOfMissingUserRGroups :
RDKit::FingerprintVarianceScoreData
numberOfMolecules :
RDKit::FingerprintVarianceScoreData
numberPermutations() :
RDKit::RGroupGa
numberUserRGroups :
RDKit::RCore
numBondRings() :
RDKit::RingInfo
NumBonds :
RDKit::MCSProgressData
,
RDKit::MCSResult
numBonds :
RDKit::ROMol
numCols() :
RDNumeric::Matrix< TYPE >
,
RDNumeric::SymmMatrix< TYPE >
numConformers :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
numConfs :
RDKit::SynthonSpaceSearch::ShapeBuildParams
numerator() :
RDKit::CIPLabeler::FractionalAtomicNum
NumericMetrics :
RDKit::FMCS::SubstructureCache::HashKey
numFusedBonds() :
RDKit::RingInfo
numFusedRingNeighbors() :
RDKit::RingInfo
numHits :
RDKit::SynthonSpaceSearch::SynthonSpaceHitSet
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 >
numThreads :
RDKit::DGeomHelpers::EmbedParameters
,
RDKit::MolAlign::BestAlignmentParams
,
RDKit::RascalMCES::RascalClusterOptions
,
RDKit::SubstructMatchParameters
,
RDKit::SynthonSpaceSearch::ShapeBuildParams
,
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
NumValence() :
RDKit::atomicData
numWriterThreads :
RDKit::GeneralMolSupplier::SupplierOptions
numZeroFail :
RDKit::DGeomHelpers::EmbedParameters
Generated on
for RDKit by
1.17.0