RxDock: rxdock::MOEGrid Class Reference

RxDock 0.1.0

A fast, versatile, and open-source program for docking ligands to proteins and nucleic acids

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Public Member Functions
	MOEGrid (MOEGridShape &, MOEGridData &, std::string)

void	SetShape (MOEGridShape &a_shape)

void	SetData (MOEGridData &a_data)

void	SetOutputFileName (std::string &a_filename)

RBTDLL_EXPORT void	CalculateCommonExtents (std::vector< std::string > strPrmFiles)

void	GetDockingSiteExtents (std::string &a_strPrmFile)

Coord	GetMinExtents ()

Coord	GetMaxExtents ()

RBTDLL_EXPORT long	WriteGrid (std::ios_base::openmode mode)

long	ReadGrid ()

The documentation for this class was generated from the following files:

Public Member Functions