Rosetta 3.4
Public Types | Public Member Functions
protocols::flexpep_docking::FlexPepDockingPoseMetrics Class Reference

#include <FlexPepDockingPoseMetrics.hh>

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List of all members.

Public Types

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

Public Member Functions

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

Member Typedef Documentation


Constructor & Destructor Documentation

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

Member Function Documentation

core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::best_Kmer_rms ( Pose const &  pose1,
Pose const &  pose2,
t_predicate_func  predicate,
core::Size  k 
) const
core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_frac_atoms_kA_to_native ( Pose const &  pose1,
Pose const &  pose2,
ObjexxFCL::FArray1D_bool const &  res_subset,
t_predicate_func  predicate,
double  k,
core::Size ngood 
) const

calculate fractions of atoms that are at the same location as native

calculate fractions of atoms that are at the same location as native

References core::scoring::is_heavyatom(), core::scoring::is_ligand_heavyatom(), core::scoring::is_polymer_heavyatom(), core::conformation::Residue::natoms(), core::pose::Pose::residue(), core::pose::Pose::total_residue(), and core::conformation::Residue::xyz().

core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_frac_native_contacts ( Pose const &  native,
Pose const &  final,
core::Real  threashold 
) const
std::map< std::string, core::Real > protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_interface_metrics ( core::pose::Pose pose,
Size  rb_jump,
core::scoring::ScoreFunctionOP  scorefxn 
)
void protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_pep_scores ( core::pose::Pose const &  pose,
Real pepScore,
Real pepScore_noref 
) const
core::Real protocols::flexpep_docking::FlexPepDockingPoseMetrics::calc_phipsi_RMSD ( Pose const &  pose1,
Pose const &  pose2,
ObjexxFCL::FArray1D_bool const &  res_subset 
) const
void protocols::flexpep_docking::FlexPepDockingPoseMetrics::set_flags ( FlexPepDockingFlagsCOP  flags) [inline]

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