MakeRotLib.hh File Reference

#include <core/types.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <protocols/make_rot_lib/RotData.hh>
#include <utility/vector1.hh>

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

Typedefs
typedef utility::vector1< RotData >	protocols::MakeRotLib::RotVec

Functions
void	protocols::MakeRotLib::asp_corrections (RotVec &rotamers)
void	protocols::MakeRotLib::glu_corrections (RotVec &rotamers)
void	protocols::MakeRotLib::phe_tyr_corrections (RotVec &rotamers)
void	protocols::MakeRotLib::peptoid_trans_hack (RotVec &rotamers)
void	protocols::MakeRotLib::peptoid_cis_hack (RotVec &rotamers)
void	protocols::MakeRotLib::min_rotamers (RotVec &rotamers, core::scoring::ScoreFunctionOP scrfxn, std::string aa_name)
void	protocols::MakeRotLib::init_rotamers_centroids (RotVec &rotamers, RotVec &centroids, Size &ncluster, std::string options_filename, std::string &aa_name, bool is_peptoid, Real omega_start_val, Real epsilon_start_val)
bool	protocols::MakeRotLib::calc_rotamer_clusters (RotVec &rotamers)
bool	protocols::MakeRotLib::calc_centroids (RotVec &rotamers, RotVec &centroids)
Real	protocols::MakeRotLib::calc_dist (RotData &point1, RotData &point2)
Real	protocols::MakeRotLib::avg_cluster_cen_dist (RotVec &rotamers, Size &ncluster)
void	protocols::MakeRotLib::calc_all_dist (RotVec &rotamers, RotVec &centroids)
void	protocols::MakeRotLib::get_final_rots (RotVec &rotamers, RotVec &final_rotamers, Size &nclusters)
void	protocols::MakeRotLib::get_final_rot_probs (RotVec &final_rotamers)
void	protocols::MakeRotLib::calc_std_dev (RotVec &final_rotamers, core::scoring::ScoreFunctionOP scrfxn, std::string aa_name)
void	protocols::MakeRotLib::pretty_print_rd (RotData &rot)
void	protocols::MakeRotLib::dunbrack_print (RotVec &final_rotamers, RotVec &centroids, std::string aa_name_full)