RDKit
Open-source cheminformatics and machine learning.
Conformer.h File Reference
#include <Geometry/point.h>
#include <RDGeneral/types.h>
#include <boost/smart_ptr.hpp>

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Classes

class  RDKit::ConformerException
 used to indicate errors from incorrect confomer access More...
class  RDKit::Conformer
 The class for representing 2D or 3D conformation of a molecule. More...

Namespaces

namespace  RDKit
 

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


Typedefs

typedef boost::shared_ptr
< Conformer > 
RDKit::CONFORMER_SPTR
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