RxDock: rxdock::MOL2Substructure 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
	MOL2Substructure (const std::string &name, int rr, const std::string &cc, const std::string &ss)

std::string	GetName () const

int	GetRoot () const

std::string	GetChain () const

std::string	GetType () const

Friends
void	to_json (json &j, const MOL2Substructure &mol2Structure)

void	from_json (const json &j, MOL2Substructure &mol2Structure)

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

Public Member Functions