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core::pack::dunbrack::DunbrackAAParameterSet Struct Reference

A small structure to hold overview parameters about the Dunbrack Libraries. More...

#include <RotamerLibrary.hh>

Static Public Member Functions

static DunbrackAAParameterSet get_dun10_aa_parameters ()
 
static DunbrackAAParameterSet get_dun02_aa_parameters ()
 

Public Attributes

utility::vector1< chemical::AArotameric_amino_acids
 
utility::vector1< Sizerotameric_n_chi
 
utility::vector1< Sizerotameric_n_bb
 
utility::vector1< chemical::AAsraa
 AA code for entry i. More...
 
utility::vector1< Sizesrnchi
 Number of rotameric chi for entry i; the index of the non-rotameric chi is +1 of the value stored. More...
 
utility::vector1< Sizesrnbb
 N bb. More...
 
utility::vector1< boolscind
 Decision: SCore the nonrotameric chi in a backbone INDependent manner? More...
 
utility::vector1< boolsampind
 Decision: SAMPle the nonrotameric chi in a backbone INDependent manner? More...
 
utility::vector1< boolsym
 
utility::vector1< Realastr
 At what starting angle does the chi data come from? More...
 

Detailed Description

A small structure to hold overview parameters about the Dunbrack Libraries.

Member Function Documentation

DunbrackAAParameterSet core::pack::dunbrack::DunbrackAAParameterSet::get_dun02_aa_parameters ( )
static
DunbrackAAParameterSet core::pack::dunbrack::DunbrackAAParameterSet::get_dun10_aa_parameters ( )
static

Member Data Documentation

utility::vector1< Real > core::pack::dunbrack::DunbrackAAParameterSet::astr
utility::vector1< chemical::AA > core::pack::dunbrack::DunbrackAAParameterSet::rotameric_amino_acids
utility::vector1< Size > core::pack::dunbrack::DunbrackAAParameterSet::rotameric_n_bb
utility::vector1< Size > core::pack::dunbrack::DunbrackAAParameterSet::rotameric_n_chi
utility::vector1< bool > core::pack::dunbrack::DunbrackAAParameterSet::sampind
utility::vector1< bool > core::pack::dunbrack::DunbrackAAParameterSet::scind
utility::vector1< chemical::AA > core::pack::dunbrack::DunbrackAAParameterSet::sraa
utility::vector1< Size > core::pack::dunbrack::DunbrackAAParameterSet::srnbb
utility::vector1< Size > core::pack::dunbrack::DunbrackAAParameterSet::srnchi
utility::vector1< bool > core::pack::dunbrack::DunbrackAAParameterSet::sym

Is there symmetry about the rotameric chi? If so, periodicity is 180 degrees, else, 360. Furthermore, if it's symmetric, then the bbdep sampling is at 5 degree intervals and the bbind is at 0.5 degree intervals; otherwise, bbdep is at 10 degrees, and bbind is at 1.

Referenced by core::pack::dunbrack::RotamerLibrary::binary_is_up_to_date_10(), core::pack::dunbrack::RotamerLibrary::create_fa_dunbrack_libraries_10_from_ASCII(), core::pack::dunbrack::RotamerLibrary::create_srdl(), get_dun10_aa_parameters(), and core::pack::dunbrack::RotamerLibrary::write_binary_fa_dunbrack_libraries_10().


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