core::chemical::carbohydrates::LinkageConformerData Struct Reference

Holds conformer data for glycan torsional sampling used by the LinkageConformerMover. More...

#include <LinkageConformers.hh>

Public Member Functions
core::Real	get_torsion_mean (core::id::MainchainTorsionType torsion) const
core::Real	get_torsion_mean (core::id::MainchainTorsionType torsion, core::Size torsion_num) const
core::Real	get_torsion_sd (core::id::MainchainTorsionType torsion) const
core::Real	get_torsion_sd (core::id::MainchainTorsionType torsion, core::Size torsion_num) const
bool	has_omega () const
core::Size	n_omega () const
core::Size	n_torsions () const

Public Attributes
Real	population
utility::vector1< std::pair < core::Real, core::Real > >	mean_sd
utility::vector1< std::pair < core::Real, core::Real > >	omega_mean_sd
std::string	conformer_bins

Detailed Description

Holds conformer data for glycan torsional sampling used by the LinkageConformerMover.

Member Function Documentation

core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_mean ( core::id::MainchainTorsionType  torsion ) const

inline

Referenced by core::pose::carbohydrates::set_dihedrals_from_linkage_conformer_data().

core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_mean ( core::id::MainchainTorsionType  torsion, core::Size  torsion_num  ) const

inline

References mean_sd, core::id::omega_dihedral, and omega_mean_sd.

core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_sd ( core::id::MainchainTorsionType  torsion ) const

inline

Referenced by core::pose::carbohydrates::set_dihedrals_from_linkage_conformer_data().

core::Real core::chemical::carbohydrates::LinkageConformerData::get_torsion_sd ( core::id::MainchainTorsionType  torsion, core::Size  torsion_num  ) const

inline

References mean_sd, core::id::omega_dihedral, and omega_mean_sd.

bool core::chemical::carbohydrates::LinkageConformerData::has_omega ( ) const

inline

References omega_mean_sd.

core::Size core::chemical::carbohydrates::LinkageConformerData::n_omega ( ) const

inline

References omega_mean_sd.

Referenced by n_torsions().

core::Size core::chemical::carbohydrates::LinkageConformerData::n_torsions ( ) const

inline

References mean_sd, and n_omega().

Referenced by core::pose::carbohydrates::set_dihedrals_from_linkage_conformer_data().

Member Data Documentation

std::string core::chemical::carbohydrates::LinkageConformerData::conformer_bins

Referenced by core::chemical::carbohydrates::read_linkage_conformers_from_database_file().

utility::vector1< std::pair< core::Real, core::Real > > core::chemical::carbohydrates::LinkageConformerData::mean_sd

Referenced by get_torsion_mean(), get_torsion_sd(), n_torsions(), and core::chemical::carbohydrates::read_linkage_conformers_from_database_file().

utility::vector1< std::pair< core::Real, core::Real > > core::chemical::carbohydrates::LinkageConformerData::omega_mean_sd

Referenced by get_torsion_mean(), get_torsion_sd(), has_omega(), n_omega(), and core::chemical::carbohydrates::read_linkage_conformers_from_database_file().

Real core::chemical::carbohydrates::LinkageConformerData::population

Referenced by core::chemical::carbohydrates::read_linkage_conformers_from_database_file().

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

• src/core/chemical/carbohydrates/LinkageConformers.hh