Rosetta Protocols  2015.09
Namespaces | Functions
MakeRotLib.cc File Reference
#include <protocols/make_rot_lib/RotData.hh>
#include <protocols/make_rot_lib/MakeRotLib.hh>
#include <core/types.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/io/pdb/pose_io.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/id/TorsionID.hh>
#include <core/id/types.hh>
#include <utility/file/FileName.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/exit.hh>
#include <utility/vector1.functions.hh>
#include <utility/vector1.hh>
#include <numeric/angle.functions.hh>
#include <protocols/simple_moves/MinMover.hh>
#include <boost/lexical_cast.hpp>
#include <iostream>
#include <sstream>
#include <fstream>
#include <string>
#include <iomanip>
#include <cmath>

Namespaces

 protocols
 The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
 
 protocols::make_rot_lib
 

Functions

Real protocols::make_rot_lib::angle_diff (Real a1, Real a2)
 
void protocols::make_rot_lib::asp_corrections (RotVec &rotamers)
 
void protocols::make_rot_lib::glu_corrections (RotVec &rotamers)
 
void protocols::make_rot_lib::phe_tyr_corrections (RotVec &rotamers)
 
void protocols::make_rot_lib::min_rotamers (RotVec &rotamers, core::scoring::ScoreFunctionOP scrfxn, std::string aa_name)
 
void protocols::make_rot_lib::init_rotamers_centroids (RotVec &rotamers, RotVec &centroids, Size &ncluster, std::string options_filename, std::string &aa_name, bool is_peptoid, Real omg_start_val, Real eps_start_val)
 
bool protocols::make_rot_lib::calc_rotamer_clusters (RotVec &rotamers)
 
bool protocols::make_rot_lib::calc_centroids (RotVec &rotamers, RotVec &centroids)
 
Real protocols::make_rot_lib::calc_dist (RotData &point1, RotData &point2)
 
Real protocols::make_rot_lib::avg_cluster_cen_dist (RotVec &rotamers, Size &ncluster)
 
void protocols::make_rot_lib::calc_all_dist (RotVec &rotamers, RotVec &centroids)
 
void protocols::make_rot_lib::get_final_rots (RotVec &rotamers, RotVec &final_rotamers, Size &nclusters)
 
void protocols::make_rot_lib::get_final_rot_probs (RotVec &final_rotamers)
 
void protocols::make_rot_lib::calc_std_dev (RotVec &final_rotamers, core::scoring::ScoreFunctionOP scrfxn, std::string aa_name)
 
void protocols::make_rot_lib::pretty_print_rd (RotData &rot)
 
void protocols::make_rot_lib::dunbrack_print (RotVec &final_rotamers, RotVec &centroids, std::string aa_name_full)