protocols::ligand_docking::ga_ligand_dock::hbDon Struct Reference

#include <GridHash3D.hh>

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

Public Attributes
numeric::xyzVector< core::Real >	D
numeric::xyzVector< core::Real >	H
core::scoring::hbonds::HBDonChemType	dontype

Member Function Documentation

nbr_atom()

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

inline

References D.

Member Data Documentation

D

numeric::xyzVector< core::Real > protocols::ligand_docking::ga_ligand_dock::hbDon::D

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

dontype

core::scoring::hbonds::HBDonChemType protocols::ligand_docking::ga_ligand_dock::hbDon::dontype

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

H

numeric::xyzVector< core::Real > protocols::ligand_docking::ga_ligand_dock::hbDon::H

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

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

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