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RDKit
Open-source cheminformatics and machine learning.
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#include "../RDKitBase.h"
#include "RGroupUtils.h"
#include <GraphMol/SmilesParse/SmilesWrite.h>
#include <GraphMol/Substruct/SubstructMatch.h>
#include <GraphMol/ChemTransforms/ChemTransforms.h>
#include <boost/scoped_ptr.hpp>
#include <set>
#include <vector>
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Classes | |
struct | RDKit::RGroupData |
A single rgroup attached to a given core. More... | |
Namespaces | |
RDKit | |
Std stuff. | |