rdkit.Chem.MolStandardize module¶
Submodules¶
- rdkit.Chem.MolStandardize.rdMolStandardize module
AllowedAtomsValidation
CHARGE_CORRECTIONS()
CanonicalTautomer()
ChargeCorrection
ChargeParent()
ChargeParentInPlace()
Cleanup()
CleanupInPlace()
CleanupParameters
CleanupParameters.acidbaseFile
CleanupParameters.doCanonical
CleanupParameters.fragmentFile
CleanupParameters.largestFragmentChooserCountHeavyAtomsOnly
CleanupParameters.largestFragmentChooserUseAtomCount
CleanupParameters.maxRestarts
CleanupParameters.maxTautomers
CleanupParameters.maxTransforms
CleanupParameters.normalizationsFile
CleanupParameters.preferOrganic
CleanupParameters.tautomerReassignStereo
CleanupParameters.tautomerRemoveBondStereo
CleanupParameters.tautomerRemoveIsotopicHs
CleanupParameters.tautomerRemoveSp3Stereo
CleanupParameters.tautomerTransformsFile
DisallowedAtomsValidation
DisallowedRadicalValidation
DisconnectOrganometallics()
DisconnectOrganometallicsInPlace()
FeaturesValidation
FragmentParent()
FragmentParentInPlace()
FragmentRemover
FragmentRemoverFromData()
FragmentValidation
GetV1TautomerEnumerator()
Is2DValidation
IsotopeParent()
IsotopeParentInPlace()
IsotopeValidation
LargestFragmentChooser
Layout2DValidation
MetalDisconnector
MetalDisconnectorOptions
MolVSValidation
NeutralValidation
NoAtomValidation
Normalize()
NormalizeInPlace()
Normalizer
NormalizerFromData()
NormalizerFromParams()
Pipeline
PipelineLog
PipelineLogEntry
PipelineOptions
PipelineOptions.allowAromaticBondType
PipelineOptions.allowAtomBondClashExemption
PipelineOptions.allowDativeBondType
PipelineOptions.allowEmptyMolecules
PipelineOptions.allowEnhancedStereo
PipelineOptions.allowLongBondsInRings
PipelineOptions.atomClashLimit
PipelineOptions.bondLengthLimit
PipelineOptions.is2DZeroThreshold
PipelineOptions.metalNof
PipelineOptions.metalNon
PipelineOptions.minMedianBondLength
PipelineOptions.normalizerData
PipelineOptions.normalizerMaxRestarts
PipelineOptions.outputV2000
PipelineOptions.reportAllFailures
PipelineOptions.scaledMedianBondLength
PipelineOptions.strictParsing
PipelineResult
PipelineStage
PipelineStatus
PipelineStatus.BASIC_VALIDATION_ERROR
PipelineStatus.CHARGE_STANDARDIZATION_ERROR
PipelineStatus.FEATURES_VALIDATION_ERROR
PipelineStatus.FRAGMENTS_REMOVED
PipelineStatus.FRAGMENT_STANDARDIZATION_ERROR
PipelineStatus.INPUT_ERROR
PipelineStatus.IS2D_VALIDATION_ERROR
PipelineStatus.LAYOUT2D_VALIDATION_ERROR
PipelineStatus.METALS_DISCONNECTED
PipelineStatus.METAL_STANDARDIZATION_ERROR
PipelineStatus.NORMALIZATION_APPLIED
PipelineStatus.NORMALIZER_STANDARDIZATION_ERROR
PipelineStatus.NO_EVENT
PipelineStatus.OUTPUT_ERROR
PipelineStatus.PIPELINE_ERROR
PipelineStatus.PREPARE_FOR_STANDARDIZATION_ERROR
PipelineStatus.PREPARE_FOR_VALIDATION_ERROR
PipelineStatus.PROTONATION_CHANGED
PipelineStatus.STANDARDIZATION_ERROR
PipelineStatus.STEREO_VALIDATION_ERROR
PipelineStatus.STRUCTURE_MODIFICATION
PipelineStatus.VALIDATION_ERROR
PipelineStatus.names
PipelineStatus.values
RDKitValidation
Reionize()
ReionizeInPlace()
Reionizer
ReionizerFromData()
RemoveFragments()
RemoveFragmentsInPlace()
SmilesTautomerMap
StandardizeSmiles()
StereoParent()
StereoParentInPlace()
StereoValidation
SuperParent()
SuperParentInPlace()
Tautomer
TautomerEnumerator
TautomerEnumerator.Canonicalize()
TautomerEnumerator.Enumerate()
TautomerEnumerator.GetCallback()
TautomerEnumerator.GetMaxTautomers()
TautomerEnumerator.GetMaxTransforms()
TautomerEnumerator.GetReassignStereo()
TautomerEnumerator.GetRemoveBondStereo()
TautomerEnumerator.GetRemoveSp3Stereo()
TautomerEnumerator.PickCanonical()
TautomerEnumerator.ScoreTautomer()
TautomerEnumerator.SetCallback()
TautomerEnumerator.SetMaxTautomers()
TautomerEnumerator.SetMaxTransforms()
TautomerEnumerator.SetReassignStereo()
TautomerEnumerator.SetRemoveBondStereo()
TautomerEnumerator.SetRemoveSp3Stereo()
TautomerEnumerator.tautomerScoreVersion
TautomerEnumeratorCallback
TautomerEnumeratorResult
TautomerEnumeratorStatus
TautomerParent()
TautomerParentInPlace()
Uncharger
UpdateParamsFromJSON()
ValidateSmiles()
ValidationMethod
map_indexing_suite_SmilesTautomerMap_entry