align.h File Reference

Perform a least-squares alignment of two molecules or two vectors of vector3 objects. More...

#include <openbabel/mol.h>
#include <openbabel/math/vector3.h>
#include <openbabel/math/matrix3x3.h>
#include <openbabel/isomorphism.h>
#include <Eigen/Core>
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Classes

class  OBAlign
 Perform a least-squares alignment of two molecules or two vectors of vector3 objects. More...

Namespaces

namespace  OpenBabel

Detailed Description

Perform a least-squares alignment of two molecules or two vectors of vector3 objects.

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