protocols::ligand_docking::ga_ligand_dock::hbAcc Struct Reference

#include <GridHash3D.hh>

Public Member Functions
numeric::xyzVector< core::Real >	nbr_atom ()

Public Attributes
numeric::xyzVector< core::Real >	A
numeric::xyzVector< core::Real >	B
numeric::xyzVector< core::Real >	B_0
core::scoring::hbonds::HBAccChemType	acctype

Member Function Documentation

numeric::xyzVector<core::Real> protocols::ligand_docking::ga_ligand_dock::hbAcc::nbr_atom ( )

inline

References A.

Member Data Documentation

numeric::xyzVector< core::Real > protocols::ligand_docking::ga_ligand_dock::hbAcc::A

Referenced by protocols::ligand_docking::ga_ligand_dock::GridScorer::calculate_grid(), and nbr_atom().

core::scoring::hbonds::HBAccChemType protocols::ligand_docking::ga_ligand_dock::hbAcc::acctype

Referenced by protocols::ligand_docking::ga_ligand_dock::GridScorer::calculate_grid().

numeric::xyzVector< core::Real > protocols::ligand_docking::ga_ligand_dock::hbAcc::B

Referenced by protocols::ligand_docking::ga_ligand_dock::GridScorer::calculate_grid().

numeric::xyzVector< core::Real > protocols::ligand_docking::ga_ligand_dock::hbAcc::B_0

Referenced by protocols::ligand_docking::ga_ligand_dock::GridScorer::calculate_grid().

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

• src/protocols/ligand_docking/GALigandDock/GridHash3D.hh