core::scoring::rna::RNP_LowResPairDistPotential Class Reference

#include <RNP_LowResPairDistPotential.hh>

Inheritance diagram for core::scoring::rna::RNP_LowResPairDistPotential:

Public Member Functions
	RNP_LowResPairDistPotential ()
	c-tor More...
void	initialize_rnp_pair_dist ()
void	evaluate_rnp_pair_dist_score (conformation::Residue const &rsd1, conformation::Residue const &rsd2, Real &rnp_pair_dist_score) const
Real	calc_rnp_pair_dist_score (conformation::Residue const &protein_rsd, conformation::Residue const &RNA_rsd) const
Size	convert_aa_to_index (char const c) const

Private Attributes
Size const	max_aa_ = 25
Size const	max_base_ = 8
Size const	num_dbins_ = 10
bool	use_actual_centroid_
utility::vector1< std::string >	RNA_atoms_
utility::vector1< std::string >	protein_atoms_
ObjexxFCL::FArray3D< Real >	rnp_pair_dist_potential_

Constructor & Destructor Documentation

RNP_LowResPairDistPotential()

core::scoring::rna::RNP_LowResPairDistPotential::RNP_LowResPairDistPotential

(

)

c-tor

Member Function Documentation

calc_rnp_pair_dist_score()

Real core::scoring::rna::RNP_LowResPairDistPotential::calc_rnp_pair_dist_score	(	conformation::Residue const &	protein_rsd,
		conformation::Residue const &	RNA_rsd
	)		const

References core::conformation::Residue::actcoord(), core::chemical::CENTROID_t, core::chemical::rna::convert_acgu_to_1234(), core::chemical::rna::get_rna_base_centroid(), core::chemical::ResidueTypeBase::mode(), core::conformation::Residue::name1(), core::conformation::Residue::type(), and core::conformation::Residue::xyz().

convert_aa_to_index()

Size core::scoring::rna::RNP_LowResPairDistPotential::convert_aa_to_index

(

char const

c

)

const

References core::chemical::rna::TR().

evaluate_rnp_pair_dist_score()

void core::scoring::rna::RNP_LowResPairDistPotential::evaluate_rnp_pair_dist_score	(	conformation::Residue const &	rsd1,
		conformation::Residue const &	rsd2,
		Real &	rnp_pair_dist_score
	)		const

References core::conformation::Residue::has_variant_type(), core::conformation::Residue::is_protein(), core::conformation::Residue::is_RNA(), and core::chemical::REPLONLY.

Referenced by core::energy_methods::RNP_LowResPairDistEnergy::residue_pair_energy().

initialize_rnp_pair_dist()

void core::scoring::rna::RNP_LowResPairDistPotential::initialize_rnp_pair_dist

(

)

References protocols::cluster::calibur::aa, protocols::abinitio::filename(), and core::chemical::rna::TR().

Member Data Documentation

max_aa_

Size const core::scoring::rna::RNP_LowResPairDistPotential::max_aa_ = 25

private

max_base_

Size const core::scoring::rna::RNP_LowResPairDistPotential::max_base_ = 8

private

num_dbins_

Size const core::scoring::rna::RNP_LowResPairDistPotential::num_dbins_ = 10

private

protein_atoms_

utility::vector1< std::string > core::scoring::rna::RNP_LowResPairDistPotential::protein_atoms_

private

RNA_atoms_

utility::vector1< std::string > core::scoring::rna::RNP_LowResPairDistPotential::RNA_atoms_

private

rnp_pair_dist_potential_

ObjexxFCL::FArray3D< Real > core::scoring::rna::RNP_LowResPairDistPotential::rnp_pair_dist_potential_

private

use_actual_centroid_

bool core::scoring::rna::RNP_LowResPairDistPotential::use_actual_centroid_

private

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

• src/core/scoring/rna/RNP_LowResPairDistPotential.hh
• src/core/scoring/rna/RNP_LowResPairDistPotential.cc