RDKit
Open-source cheminformatics and machine learning.
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Here is a list of all variables with links to the classes they belong to:
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- c -
C0 :
ForceFields::UFF::InversionContribsParams
C1 :
ForceFields::UFF::InversionContribsParams
C2 :
ForceFields::UFF::InversionContribsParams
callback :
RDKit::DGeomHelpers::EmbedParameters
Canceled :
RDKit::MCSResult
canonical :
RDKit::SmilesWriteParams
canonOrient :
RDDepict::Compute2DCoordParameters
ccw :
RDDepict::EmbeddedAtom
cds_ :
RDKit::MolDraw2D_detail::AtomSymbol
center :
RDKit::MarvinMulticenterSgroup
,
RDKit::MarvinRectangle
centeredOn :
RDKit::Chirality::StereoInfo
centerIsStale :
RDKit::MarvinRectangle
centreMoleculesBeforeDrawing :
RDKit::MolDrawOptions
Charge :
RDKit::MolStandardize::ChargeCorrection
,
RDKit::StructureCheck::AugmentedAtom
,
RDKit::StructureCheck::Ligand
charge :
RDKit::MarvinGenericSgroup
,
RDKit::MarvinMonomerSgroup
ChargeIncTable :
RDKit::StructureCheck::StructCheckerOptions
Charges :
RDKit::MolStandardize::TautomerTransform
CheckCollisions :
RDKit::StructureCheck::StructCheckerOptions
CheckStereo :
RDKit::StructureCheck::StructCheckerOptions
chi :
ForceFields::MMFF::MMFFCovRadPauEle
chiral :
ForceFields::CrystalFF::ETKDGForceConsts::Params
CHIRAL_ATOM :
RDKit::StereoBondThresholds
chunkSize :
RDKit::RGroupDecompositionParameters
circleAtoms :
RDKit::MolDrawOptions
CisTransNbr :
RDDepict::EmbeddedAtom
clash_score_ :
RDKit::MolDraw2D_detail::StringRect
clashLimit :
RDKit::MolStandardize::Layout2DValidation
class_ :
RDKit::MolDraw2D_detail::DrawAnnotation
cleanStereo :
RDKit::SmilesWriteParams
cleanupSubstructures :
RDKit::v2::FileParsers::Mol2ParserParams
clearBackground :
RDKit::MolDrawOptions
clearComputedProps :
RDKit::SubsetOptions
clearConfs :
RDDepict::Compute2DCoordParameters
,
RDKit::DGeomHelpers::EmbedParameters
clusterMergeSim :
RDKit::RascalMCES::RascalClusterOptions
coeff :
RDKit::MolAlign::O3AFuncData
col2_ :
RDKit::MolDraw2D_detail::DrawShapeDashedWedge
,
RDKit::MolDraw2D_detail::DrawShapeSolidWedge
,
RDKit::MolDraw2D_detail::DrawShapeWavyLine
collectMolCounts :
RDKit::ScaffoldNetwork::ScaffoldNetworkParams
CollisionLimitPercent :
RDKit::StructureCheck::StructCheckerOptions
colour_ :
RDKit::MolDraw2D_detail::AtomSymbol
,
RDKit::MolDraw2D_detail::DrawAnnotation
,
RDKit::MolDraw2D_detail::DrawText
colourMap :
RDKit::MolDraw2DUtils::ContourParams
combinedMol :
RDKit::RGroupData
comicMode :
RDKit::MolDrawOptions
comment :
RDKit::FilterData_t
CompareFunctionsUserData :
RDKit::MCSParameters
completeAromaticRings :
RDKit::RascalMCES::RascalOptions
CompleteRingsOnly :
RDKit::MCSAtomCompareParameters
,
RDKit::MCSBondCompareParameters
completeSmallestRings :
RDKit::RascalMCES::RascalOptions
componentPadding :
RDKit::MolDrawOptions
Cond :
RDKit::StructureCheck::PathEntry
cond_used :
RDKit::StructureCheck::PathEntry
conditions :
RDKit::MarvinReaction
confId :
RDKit::Descriptors::DoubleCubicLatticeVolume
,
RDKit::FingerprintFuncArguments
confId2D :
RDKit::GeneralMolSupplier::SupplierOptions
,
RDKit::v2::FileParsers::TDTMolSupplierParams
confId3D :
RDKit::GeneralMolSupplier::SupplierOptions
,
RDKit::v2::FileParsers::TDTMolSupplierParams
confId_ :
RDKit::MolDraw2D_detail::DrawMol
conformerIdx :
RDKit::SubsetOptions
confRMSThreshold :
RDKit::SynthonSpaceSearch::SynthonSpaceSearchParams
connect :
RDKit::MarvinSruCoModSgroup
connectivityMatcher :
RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm
connectivitySmarts :
RDKit::MolStandardize::TautomerScoringFunctions::SubstructTerm
constrainedAtoms :
ForceFields::CrystalFF::CrystalFFDetails
context :
RDKit::MarvinDataSgroup
context_ :
RDKit::MolDraw2D_detail::DrawTextFTJS
,
RDKit::MolDraw2D_detail::DrawTextJS
continuousHighlight :
RDKit::MolDrawOptions
contourColour :
RDKit::MolDraw2DUtils::ContourParams
contourWidth :
RDKit::MolDraw2DUtils::ContourParams
controllingAtoms :
RDKit::Canon::bondholder
,
RDKit::Chirality::StereoInfo
convention :
RDKit::MarvinBond
,
RDKit::MarvinBondStereo
conventionValue :
RDKit::MarvinBondStereo
ConvertAtomTexts :
RDKit::StructureCheck::StructCheckerOptions
ConvertSText :
RDKit::StructureCheck::StructCheckerOptions
coordinatePrecision :
RDKit::MarvinMolBase
coordMap :
RDDepict::Compute2DCoordParameters
,
RDKit::DGeomHelpers::EmbedParameters
coordScaleForQuantization :
RDKit::MolDraw2DUtils::ContourParams
copyAsQuery :
RDKit::SubsetOptions
CopyComplete :
RDKit::FMCS::Seed
copyCoordinates :
RDKit::SubsetOptions
core :
RDKit::RCore
core_atoms_with_user_labels :
RDKit::RCore
core_idx :
RDKit::RGroupMatch
cores :
RDKit::RGroupDecompData
correspondence :
RDKit::MarvinSruCoModSgroup
counts :
RDKit::ScaffoldNetwork::ScaffoldNetwork
CPCI :
RDKit::DGeomHelpers::EmbedParameters
crd :
ForceFields::MMFF::MMFFProp
current :
RDKit::v2::FileParsers::ForwardSupplierIter< Supplier >
current_idx :
RDKit::v2::FileParsers::RandomAccessSupplierIter< Supplier >
customAtomInvariants :
RDKit::FingerprintFuncArguments
customBondInvariants :
RDKit::FingerprintFuncArguments
customFeatures :
RDKit::GaussianShape::ShapeInputOptions
cxSmilesFlags :
RDKit::PNGMetadataParams
Generated on
for RDKit by
1.17.0