ProximityBonds.h
Go to the documentation of this file.
//
// Copyright (C) 2013 Greg Landrum and NextMove Software
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#ifndef _RD_PROXIMITYBONDS_H_
#define _RD_PROXIMITYBONDS_H_
#include <GraphMol/RWMol.h>
namespace RDKit {
void ConnectTheDots(RWMol *mol);
void StandardPDBResidueBondOrders(RWMol *mol);
}
#endif // _RD_PROXIMITYBONDS_H_
RDKit
Includes a bunch of functionality for handling Atom and Bond queries.
Definition: Atom.h:28
RDKit::ConnectTheDots
void ConnectTheDots(RWMol *mol)
RDKit::StandardPDBResidueBondOrders
void StandardPDBResidueBondOrders(RWMol *mol)
RWMol.h
Defines the editable molecule class RWMol.