Rosetta Protocols  2014.35
Classes | Typedefs | Enumerations | Functions | Variables
protocols::make_rot_lib Namespace Reference

Classes

struct  CentroidRotNum
 
class  MakeRotLibJob
 
class  MakeRotLibJobInputter
 
class  MakeRotLibJobInputterCreator
 
class  MakeRotLibMover
 
class  MakeRotLibOptionsData
 
class  RotData
 
struct  running_average_pair
 struct that is used in calc_centroids, values init to zero More...
 
struct  TorsionRange
 

Typedefs

typedef
utility::pointer::owning_ptr
< MakeRotLibJob
MakeRotLibJobOP
 
typedef
utility::pointer::owning_ptr
< MakeRotLibJob const > 
MakeRotLibJobCOP
 
typedef
utility::pointer::owning_ptr
< MakeRotLibJobInputter
MakeRotLibJobInputterOP
 
typedef
utility::pointer::owning_ptr
< MakeRotLibJobInputter const > 
MakeRotLibJobInputterCOP
 
typedef
utility::pointer::owning_ptr
< MakeRotLibMover
MakeRotLibMoverOP
 
typedef
utility::pointer::owning_ptr
< MakeRotLibMover const > 
MakeRotLibMoverCOP
 
typedef
utility::pointer::owning_ptr
< MakeRotLibOptionsData
MakeRotLibOptionsDataOP
 
typedef
utility::pointer::owning_ptr
< MakeRotLibOptionsData const > 
MakeRotLibOptionsDataCOP
 
typedef utility::vector1
< TorsionRange
TorsionRangeVec
 
typedef utility::vector1
< TorsionRangeVec
TorsionRangeVecVec
 
typedef utility::vector1
< CentroidRotNum
CentroidRotNumVec
 
typedef utility::vector1
< CentroidRotNumVec
CentroidRotNumVecVec
 
typedef utility::vector1< RotDataRotDataVec
 
typedef RotDataVec RotVec
 

Enumerations

enum  MakeRotLibPolymerType { PEPTIDE, PEPTOID }
 

Functions

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

Variables

static basic::Tracer TR ("protocols.make_rot_lib.MakeRotLibJobInputter")
 
static basic::Tracer TR ("protocols.make_rot_lib.MakeRotLibMover")
 
static basic::Tracer TR ("protocols.make_rot_lib.MakeRotLibOptionsData")
 
static basic::Tracer TR ("protocols.make_rot_lib.RotData")
 

Typedef Documentation

Enumeration Type Documentation

Enumerator
PEPTIDE 
PEPTOID 

Function Documentation

Real protocols::make_rot_lib::angle_diff ( Real  a1,
Real  a2 
)

Referenced by calc_dist().

void protocols::make_rot_lib::asp_corrections ( RotVec &  rotamers)
core::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 
)

References calc_dist().

bool protocols::make_rot_lib::calc_centroids ( RotVec &  rotamers,
RotVec &  centroids 
)
core::Real protocols::make_rot_lib::calc_dist ( RotData &  point1,
RotData &  point2 
)
bool protocols::make_rot_lib::calc_rotamer_clusters ( RotVec &  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::dunbrack_print ( RotVec &  final_rotamers,
RotVec &  centroids,
std::string  aa_name_full 
)
void protocols::make_rot_lib::get_final_rot_probs ( RotVec &  final_rotamers)
void protocols::make_rot_lib::get_final_rots ( RotVec &  rotamers,
RotVec &  final_rotamers,
Size nclusters 
)
void protocols::make_rot_lib::glu_corrections ( RotVec &  rotamers)
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 
)
void protocols::make_rot_lib::min_rotamers ( RotVec &  rotamers,
core::scoring::ScoreFunctionOP  scrfxn,
std::string  aa_name 
)
void protocols::make_rot_lib::phe_tyr_corrections ( RotVec &  rotamers)
void protocols::make_rot_lib::pretty_print_rd ( RotData &  rot)

Variable Documentation

basic::Tracer protocols::make_rot_lib::TR("protocols.make_rot_lib.RotData")
static
basic::Tracer protocols::make_rot_lib::TR("protocols.make_rot_lib.MakeRotLibOptionsData")
static
basic::Tracer protocols::make_rot_lib::TR("protocols.make_rot_lib.MakeRotLibJobInputter")
static
basic::Tracer protocols::make_rot_lib::TR("protocols.make_rot_lib.MakeRotLibMover")
static