![]() |
RDKit
Open-source cheminformatics and machine learning.
|
Directories | |
directory | AcidBaseCatalog |
directory | FragmentCatalog |
directory | TautomerCatalog |
directory | TransformCatalog |
Files | |
file | Charge.h [code] |
Defines the Reionizer class and Uncharger class. | |
file | Fragment.h [code] |
file | Metal.h [code] |
Defines the MetalDisconnector class. | |
file | MolStandardize.h [code] |
Defines the CleanupParameters and some convenience functions. | |
file | Normalize.h [code] |
Defines the Normalizer class. | |
file | MolStandardize/Tautomer.h [code] |
file | Validate.h [code] |
Defines the ValidationErrorInfo class and four different validation methods: RDKitValidation, MolVSValidation, AllowedAtomsValidation, DisallowedAtomsValidation. | |