protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer Struct Reference

#include <RotamerData.hh>

Public Attributes
core::Size	resid
core::Size	rotno
float	prob
float	prob_accum
ReweightableRepEnergy	score
core::scoring::lkball::LKB_ResidueInfoOP	lkbrinfo
utility::vector1< core::Real >	chis
core::chemical::ResidueTypeCOP	restype

Member Data Documentation

chis

utility::vector1< core::Real > protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::chis

Referenced by protocols::ligand_docking::ga_ligand_dock::GAOptimizer::initialize_rotamer_set_and_scores().

lkbrinfo

core::scoring::lkball::LKB_ResidueInfoOP protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::lkbrinfo

Referenced by protocols::ligand_docking::ga_ligand_dock::GAOptimizer::initialize_rotamer_set_and_scores().

prob

float protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::prob

Referenced by protocols::ligand_docking::ga_ligand_dock::GAOptimizer::initialize_rotamer_set_and_scores().

prob_accum

float protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::prob_accum

resid

core::Size protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::resid

Referenced by protocols::ligand_docking::ga_ligand_dock::GAOptimizer::initialize_rotamer_set_and_scores().

restype

core::chemical::ResidueTypeCOP protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::restype

Referenced by protocols::ligand_docking::ga_ligand_dock::GAOptimizer::initialize_rotamer_set_and_scores().

rotno

core::Size protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::rotno

Referenced by protocols::ligand_docking::ga_ligand_dock::GAOptimizer::initialize_rotamer_set_and_scores().

score

ReweightableRepEnergy protocols::ligand_docking::ga_ligand_dock::PlaceableRotamer::score

Referenced by protocols::ligand_docking::ga_ligand_dock::GAOptimizer::initialize_rotamer_set_and_scores().

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

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