RDKit
Open-source cheminformatics and machine learning.
Deprotect.h File Reference
#include <RDGeneral/export.h>
#include <GraphMol/RDKitBase.h>
#include <GraphMol/ChemReactions/Reaction.h>
#include <string>
#include <memory>

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Classes

struct  RDKit::Deprotect::DeprotectData
 

Namespaces

 RDKit
 Std stuff.
 
 RDKit::Deprotect
 

Functions

RDKIT_DEPROTECT_EXPORT const std::vector< DeprotectData > & RDKit::Deprotect::getDeprotections ()
 Retrieves the built in list of common deprotections. More...
 
RDKIT_DEPROTECT_EXPORT std::unique_ptr< ROMol > RDKit::Deprotect::deprotect (const ROMol &mol, const std::vector< DeprotectData > &deprotections=getDeprotections())
 Deprotect a molecule. More...
 
RDKIT_DEPROTECT_EXPORT bool RDKit::Deprotect::deprotectInPlace (RWMol &mol, const std::vector< DeprotectData > &deprotections=getDeprotections())
 Deprotect a molecule in place. More...