protocols::ligand_docking::ProtLigPair_info Struct Reference

#include <ProtLigEnsemble.hh>

Public Member Functions
std::string	print_mut_string ()
std::string	print_string ()
	ProtLigPair_info ()
	ProtLigPair_info (ProtLigPair_info const &)=default

Public Attributes
core::Size	mut_resid
char	mut_target
char	lig_chain
core::Real	bind_data
bool	has_bind
bool	wild_type

Constructor & Destructor Documentation

protocols::ligand_docking::ProtLigPair_info::ProtLigPair_info ( )

inline

protocols::ligand_docking::ProtLigPair_info::ProtLigPair_info ( ProtLigPair_info const &  )

default

Member Function Documentation

std::string protocols::ligand_docking::ProtLigPair_info::print_mut_string ( )

inline

References mut_resid, mut_target, and core::id::to_string().

Referenced by print_string().

std::string protocols::ligand_docking::ProtLigPair_info::print_string ( )

inline

References lig_chain, print_mut_string(), core::id::to_string(), and wild_type.

Member Data Documentation

core::Real protocols::ligand_docking::ProtLigPair_info::bind_data

Referenced by protocols::ligand_docking::ProtLigEnsemble::prepare_single_ligand_pose(), protocols::ligand_docking::process_line(), and protocols::ligand_docking::sort_by_binding().

bool protocols::ligand_docking::ProtLigPair_info::has_bind

Referenced by protocols::ligand_docking::process_line(), and protocols::ligand_docking::sort_by_binding().

char protocols::ligand_docking::ProtLigPair_info::lig_chain

Referenced by protocols::ligand_docking::ProtLigEnsemble::prepare_single_ligand_pose(), print_string(), and protocols::ligand_docking::process_line().

core::Size protocols::ligand_docking::ProtLigPair_info::mut_resid

Referenced by protocols::ligand_docking::ProtLigEnsemble::prepare_single_ligand_pose(), print_mut_string(), and protocols::ligand_docking::process_line().

char protocols::ligand_docking::ProtLigPair_info::mut_target

Referenced by protocols::ligand_docking::ProtLigEnsemble::prepare_single_ligand_pose(), print_mut_string(), and protocols::ligand_docking::process_line().

bool protocols::ligand_docking::ProtLigPair_info::wild_type

Referenced by protocols::ligand_docking::ProtLigEnsemble::prepare_single_ligand_pose(), print_string(), and protocols::ligand_docking::process_line().

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

• src/protocols/ligand_docking/ProtLigEnsemble.hh