reaction.h File Reference

Handle chemical reactions (i.e., lists of reagents and products). More...

#include <vector>
#include <openbabel/shared_ptr.h>
#include <openbabel/mol.h>

Go to the source code of this file.

Classes
class	OBReaction
	Used to store chemical reactions (i.e., reactants -> products) More...
Namespaces
namespace	OpenBabel

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Detailed Description

Handle chemical reactions (i.e., lists of reagents and products).