Rosetta  2020.28
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drrafter_error_estimation.cc File Reference

Calculate error estimates for a set of DRRAFTER models. More...

#include <core/types.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/scoring/rms_util.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <protocols/viewer/viewers.hh>
#include <core/pose/Pose.hh>
#include <core/pose/util.hh>
#include <core/conformation/Residue.hh>
#include <core/pose/extra_pose_info_util.hh>
#include <core/init/init.hh>
#include <core/id/AtomID.hh>
#include <core/import_pose/pose_stream/PoseInputStream.hh>
#include <core/import_pose/pose_stream/PDBPoseInputStream.hh>
#include <core/import_pose/pose_stream/SilentFilePoseInputStream.hh>
#include <core/pose/PDBInfo.hh>
#include <utility/vector1.hh>
#include <iostream>
#include <string>
#include <basic/Tracer.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/options/keys/out.OptionKeys.gen.hh>
#include <utility/excn/Exceptions.hh>

Functions

core::Real mean (utility::vector1< core::Real > const &real_vector)
 
core::Real estimate_min_rmsd (core::Real const &mean_pairwise_rmsd)
 
core::Real estimate_mean_rmsd (core::Real const &mean_pairwise_rmsd)
 
core::Real estimate_rmsd_of_median_struct (core::Real const &mean_pairwise_rmsd)
 
std::string get_median_structure (utility::vector1< std::string > all_pose_tags, std::map< std::string, std::map< std::string, core::Real > > pairwise_rmsds)
 
void check_all_poses_have_the_same_sequence (utility::vector1< core::pose::Pose > const &all_poses)
 
core::id::AtomID_Map
< core::id::AtomID > 
setup_align_atom_map (core::pose::Pose const &pose)
 
std::map< core::id::AtomID,
core::id::AtomID > 
setup_rmsd_atom_map (core::pose::Pose const &pose, utility::vector1< core::Size > rmsd_residues)
 
utility::vector1< std::map
< core::id::AtomID,
core::id::AtomID > > 
setup_per_residue_rmsd_atom_map (core::pose::Pose const &pose, utility::vector1< core::Size > rmsd_residues)
 
void drrafter_error_estimation ()
 
void * my_main (void *)
 
int main (int argc, char *argv[])
 

Variables

static basic::Tracer TR ("apps.public.DRRAFTER.drrafter_error_estimation")
 

Detailed Description

Calculate error estimates for a set of DRRAFTER models.

Author
Kalli Kappel

Function Documentation

void check_all_poses_have_the_same_sequence ( utility::vector1< core::pose::Pose > const &  all_poses)
void drrafter_error_estimation ( )
core::Real estimate_mean_rmsd ( core::Real const &  mean_pairwise_rmsd)
core::Real estimate_min_rmsd ( core::Real const &  mean_pairwise_rmsd)
core::Real estimate_rmsd_of_median_struct ( core::Real const &  mean_pairwise_rmsd)
std::string get_median_structure ( utility::vector1< std::string >  all_pose_tags,
std::map< std::string, std::map< std::string, core::Real > >  pairwise_rmsds 
)
int main ( int  argc,
char *  argv[] 
)
core::Real mean ( utility::vector1< core::Real > const &  real_vector)
void* my_main ( void *  )
core::id::AtomID_Map< core::id::AtomID > setup_align_atom_map ( core::pose::Pose const &  pose)

References option, and options.

Referenced by drrafter_error_estimation().

utility::vector1< std::map< core::id::AtomID, core::id::AtomID > > setup_per_residue_rmsd_atom_map ( core::pose::Pose const &  pose,
utility::vector1< core::Size >  rmsd_residues 
)
std::map<core::id::AtomID, core::id::AtomID> setup_rmsd_atom_map ( core::pose::Pose const &  pose,
utility::vector1< core::Size >  rmsd_residues 
)

Variable Documentation

basic::Tracer TR("apps.public.DRRAFTER.drrafter_error_estimation")
static