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protocols::flexpep_docking::FlexPepDockingPoseMetrics Class Reference

#include <FlexPepDockingPoseMetrics.hh>

Public Types

typedef bool(* t_predicate_func )(core::pose::Pose const &, core::pose::Pose const &, core::Size, core::Size)
 

Public Member Functions

 FlexPepDockingPoseMetrics (FlexPepDockingFlagsCOP flags)
 
core::Real calc_frac_native_contacts (core::pose::Pose const &native, core::pose::Pose const &final, core::Real threashold) const
 
core::Real calc_frac_atoms_kA_to_native (core::pose::Pose const &pose1, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &res_subset, t_predicate_func predicate, core::Real k, core::Size &ngood) const
 calculate fractions of atoms that are at the same location as native More...
 
core::Real best_Kmer_rms (core::pose::Pose const &pose1, core::pose::Pose const &pose2, t_predicate_func predicate, core::Size k) const
 
core::Real calc_phipsi_RMSD (core::pose::Pose const &pose1, core::pose::Pose const &pose2, ObjexxFCL::FArray1D_bool const &res_subset) const
 
std::map< std::string, core::Realcalc_interface_metrics (core::pose::Pose &pose, core::Size rb_jump, core::scoring::ScoreFunctionOP scorefxn)
 
void calc_pep_scores (core::pose::Pose const &pose, core::Real &pepScore, core::Real &pepScore_noref) const
 
bool isInContact (core::conformation::Residue const &res1, core::conformation::Residue const &res2, core::Real threashold) const
 
void set_flags (FlexPepDockingFlagsCOP flags)
 

Private Attributes

FlexPepDockingFlagsCOP flags_
 

Member Typedef Documentation

typedef bool(* protocols::flexpep_docking::FlexPepDockingPoseMetrics::t_predicate_func)(core::pose::Pose const &, core::pose::Pose const &, core::Size, core::Size)

Constructor & Destructor Documentation

protocols::flexpep_docking::FlexPepDockingPoseMetrics::FlexPepDockingPoseMetrics ( FlexPepDockingFlagsCOP  flags)
inline

Member Function Documentation

core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::best_Kmer_rms ( core::pose::Pose const &  pose1,
core::pose::Pose const &  pose2,
t_predicate_func  predicate,
core::Size  k 
) const
core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_frac_atoms_kA_to_native ( core::pose::Pose const &  pose1,
core::pose::Pose const &  pose2,
ObjexxFCL::FArray1D_bool const &  res_subset,
t_predicate_func  predicate,
core::Real  k,
core::Size ngood 
) const
core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_frac_native_contacts ( core::pose::Pose const &  native,
core::pose::Pose const &  final,
core::Real  threashold 
) const
std::map< std::string, core::Real > protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_interface_metrics ( core::pose::Pose pose,
core::Size  rb_jump,
core::scoring::ScoreFunctionOP  scorefxn 
)
void protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_pep_scores ( core::pose::Pose const &  pose,
core::Real pepScore,
core::Real pepScore_noref 
) const
core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_phipsi_RMSD ( core::pose::Pose const &  pose1,
core::pose::Pose const &  pose2,
ObjexxFCL::FArray1D_bool const &  res_subset 
) const
bool protocols::flexpep_docking::FlexPepDockingPoseMetrics::isInContact ( core::conformation::Residue const &  res1,
core::conformation::Residue const &  res2,
core::Real  threashold 
) const
void protocols::flexpep_docking::FlexPepDockingPoseMetrics::set_flags ( FlexPepDockingFlagsCOP  flags)
inline

Member Data Documentation

FlexPepDockingFlagsCOP protocols::flexpep_docking::FlexPepDockingPoseMetrics::flags_
private

Referenced by set_flags().


The documentation for this class was generated from the following files: