# OESecondaryStructureSuperposition¶

Attention

This is a preliminary API until 2018.Oct and may be improved based on user feedback. It is currently available in C++ and Python.

class OESecondaryStructureSuperposition


This class represents OESecondaryStructureSuperposition that performs a structural superposition on fit protein to a reference using a shape-based alignment of the secondary structure elements.

## Constructors¶

OESecondaryStructureSuperposition(const OESecondaryStructureSuperposition &rhs)


Copy constructor.

OESecondaryStructureSuperposition(const OEChem::OEMolBase &refMol,
const OEChem::OEMolBase &fitMol)


Constructor that superimposes the fitMol to the refMol by using a shape-based alignment to the secondary structure elements.

## operator=¶

OESecondaryStructureSuperposition &
operator=(const OESecondaryStructureSuperposition &rhs)


Assignment operator.

## GetFitChains¶

std::vector<std::string> GetFitChains() const


Returns 1-letter code of all names of fit protein chains.

## GetRefChains¶

std::vector<std::string> GetRefChains() const


Returns 1-letter code of all names of reference protein chains.

## GetRotMatrix¶

bool GetRotMatrix(double *rmat) const


Returns by reference the rotation matrix of the superposition. This function will return true if the rotation matrix is valid, and false otherwise.

## GetTanimoto¶

double GetTanimoto() const


Returns the tanimoto score for the structural superposition.

## GetTranslation¶

bool GetTranslation(double *trans) const


Returns by reference the translation vector of the superposition. This function will return true if the translation vector is valid, and false otherwise.