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RDKit
Open-source cheminformatics and machine learning.
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#include <RDGeneral/export.h>#include <GraphMol/RDKitBase.h>#include <GraphMol/ChemReactions/Reaction.h>#include <string>#include <memory>Go to the source code of this file.
Classes | |
| struct | RDKit::Deprotect::DeprotectData |
Namespaces | |
| namespace | RDKit |
| Std stuff. | |
| namespace | RDKit::Deprotect |
Functions | |
| RDKIT_DEPROTECT_EXPORT const std::vector< DeprotectData > & | RDKit::Deprotect::getDeprotections () |
| Retrieves the built in list of common deprotections. | |
| RDKIT_DEPROTECT_EXPORT std::unique_ptr< ROMol > | RDKit::Deprotect::deprotect (const ROMol &mol, const std::vector< DeprotectData > &deprotections=getDeprotections()) |
| Deprotect a molecule. | |
| RDKIT_DEPROTECT_EXPORT bool | RDKit::Deprotect::deprotectInPlace (RWMol &mol, const std::vector< DeprotectData > &deprotections=getDeprotections()) |
| Deprotect a molecule in place. | |