core::scoring::packstat::SasaOptions Struct Reference

#include <compute_sasa.hh>

Inheritance diagram for core::scoring::packstat::SasaOptions:

Public Member Functions
	SasaOptions ()

Public Attributes
Floats	probe_radii
int	prune_max_iters
int	prune_max_delta
Floats	prune_cavity_burial_probe_radii
PackstatReal	min_hole_radius
int	num_cav_ball_layers
PackstatReal	frac_cav_ball_required_exposed
PackstatReal	area_cav_ball_required_exposed
PackstatReal	min_cav_ball_radius
size_t	num_surrounding_sasa_bins
size_t	surrounding_sasa_smoothing_window
bool	dont_compute_cav_balls
Real	min_cluster_overlap
Real	cluster_min_volume

Constructor & Destructor Documentation

SasaOptions()

core::scoring::packstat::SasaOptions::SasaOptions

(

)

Member Data Documentation

area_cav_ball_required_exposed

PackstatReal core::scoring::packstat::SasaOptions::area_cav_ball_required_exposed

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), protocols::simple_moves::AddCavitiesMover::get_cavities(), core::scoring::packstat::output_packstat_pdb(), core::scoring::packstat::prune_hidden_cavity_balls(), and protocols::denovo_design::calculators::CavityCalculator::recompute().

cluster_min_volume

Real core::scoring::packstat::SasaOptions::cluster_min_volume

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_cav_ball_clusters(), and core::scoring::packstat::output_packstat_pdb().

dont_compute_cav_balls

bool core::scoring::packstat::SasaOptions::dont_compute_cav_balls

Referenced by core::scoring::packstat::compute_sasa().

frac_cav_ball_required_exposed

PackstatReal core::scoring::packstat::SasaOptions::frac_cav_ball_required_exposed

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), protocols::simple_moves::AddCavitiesMover::get_cavities(), core::scoring::packstat::output_packstat_pdb(), core::scoring::packstat::prune_hidden_cavity_balls(), and protocols::denovo_design::calculators::CavityCalculator::recompute().

min_cav_ball_radius

PackstatReal core::scoring::packstat::SasaOptions::min_cav_ball_radius

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_sasa(), and core::scoring::packstat::output_packstat_pdb().

min_cluster_overlap

Real core::scoring::packstat::SasaOptions::min_cluster_overlap

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_cav_ball_clusters(), and core::scoring::packstat::output_packstat_pdb().

min_hole_radius

PackstatReal core::scoring::packstat::SasaOptions::min_hole_radius

Referenced by core::scoring::packstat::compute_sasa().

num_cav_ball_layers

int core::scoring::packstat::SasaOptions::num_cav_ball_layers

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), core::scoring::packstat::compute_sasa(), protocols::simple_moves::AddCavitiesMover::get_cavities(), core::scoring::packstat::output_packstat_pdb(), and protocols::denovo_design::calculators::CavityCalculator::recompute().

num_surrounding_sasa_bins

size_t core::scoring::packstat::SasaOptions::num_surrounding_sasa_bins

Referenced by core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), and core::scoring::packstat::compute_surrounding_sasa().

probe_radii

Floats core::scoring::packstat::SasaOptions::probe_radii

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), core::scoring::packstat::compute_sasa(), core::scoring::packstat::compute_surrounding_sasa(), protocols::simple_moves::AddCavitiesMover::get_cavities(), and core::scoring::packstat::output_packstat_pdb().

prune_cavity_burial_probe_radii

Floats core::scoring::packstat::SasaOptions::prune_cavity_burial_probe_radii

Referenced by core::scoring::packstat::cavity_distance_constraint(), protocols::simple_moves::AddCavitiesMover::get_cavities(), core::scoring::packstat::output_packstat_pdb(), and core::scoring::packstat::prune_cavity_balls().

prune_max_delta

int core::scoring::packstat::SasaOptions::prune_max_delta

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), protocols::simple_moves::AddCavitiesMover::get_cavities(), core::scoring::packstat::output_packstat_pdb(), core::scoring::packstat::prune_cavity_balls(), and protocols::denovo_design::calculators::CavityCalculator::recompute().

prune_max_iters

int core::scoring::packstat::SasaOptions::prune_max_iters

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), protocols::simple_moves::AddCavitiesMover::get_cavities(), core::scoring::packstat::output_packstat_pdb(), core::scoring::packstat::prune_cavity_balls(), and protocols::denovo_design::calculators::CavityCalculator::recompute().

surrounding_sasa_smoothing_window

size_t core::scoring::packstat::SasaOptions::surrounding_sasa_smoothing_window

Referenced by core::scoring::packstat::cavity_distance_constraint(), core::scoring::packstat::compute_atom_packing_scores(), core::scoring::packstat::compute_packing_score(), core::scoring::packstat::compute_residue_packing_score(), core::scoring::packstat::compute_surrounding_sasa(), protocols::simple_moves::AddCavitiesMover::get_cavities(), core::scoring::packstat::output_packstat_pdb(), and protocols::denovo_design::calculators::CavityCalculator::recompute().

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

• src/core/scoring/packstat/compute_sasa.hh
• src/core/scoring/packstat/compute_sasa.cc