protocols::ligand_docking::ga_ligand_dock::atmInfo Struct Reference

#include <GridHash3D.hh>

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

Public Attributes
core::conformation::Atom	atom
core::Real	atomicCharge
core::Size	nAtomWaters
core::scoring::lkball::WaterCoords	atomWaters

Member Function Documentation

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

inline

References atom, and core::conformation::Atom::xyz().

Member Data Documentation

core::conformation::Atom protocols::ligand_docking::ga_ligand_dock::atmInfo::atom

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

core::Real protocols::ligand_docking::ga_ligand_dock::atmInfo::atomicCharge

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

core::scoring::lkball::WaterCoords protocols::ligand_docking::ga_ligand_dock::atmInfo::atomWaters

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

core::Size protocols::ligand_docking::ga_ligand_dock::atmInfo::nAtomWaters

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