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. | |