RDKit
Open-source cheminformatics and machine learning.
ProximityBonds.h File Reference
#include <GraphMol/RWMol.h>

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Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 

Functions

void RDKit::ConnectTheDots (RWMol *mol, unsigned int flags=0)
 
void RDKit::StandardPDBResidueBondOrders (RWMol *mol)
 

Variables

static unsigned int RDKit::ctdIGNORE_H_H_CONTACTS = 0x1
 
static unsigned int RDKit::ctdALL_FLAGS = 0xFFFFFFFF