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

#include <compute_sasa.hh>

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

Collaboration 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

Detailed Description

Definition at line 212 of file compute_sasa.hh.

Constructor & Destructor Documentation

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

(

)

Definition at line 162 of file compute_sasa.cc.

Member Data Documentation

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

Definition at line 221 of file compute_sasa.hh.

Referenced by protocols::simple_moves::AddCavitiesMover::get_cavities(), and core::scoring::packstat::prune_hidden_cavity_balls().

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

Definition at line 227 of file compute_sasa.hh.

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

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

Definition at line 225 of file compute_sasa.hh.

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

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

Definition at line 220 of file compute_sasa.hh.

Referenced by protocols::simple_moves::AddCavitiesMover::get_cavities(), and core::scoring::packstat::prune_hidden_cavity_balls().

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

Definition at line 222 of file compute_sasa.hh.

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

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

Definition at line 226 of file compute_sasa.hh.

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

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

Definition at line 218 of file compute_sasa.hh.

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

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

Definition at line 219 of file compute_sasa.hh.

Referenced by core::scoring::packstat::compute_sasa(), and protocols::simple_moves::AddCavitiesMover::get_cavities().

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

Definition at line 223 of file compute_sasa.hh.

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

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

Definition at line 214 of file compute_sasa.hh.

Referenced by core::scoring::packstat::compute_sasa(), core::scoring::packstat::compute_surrounding_sasa(), and protocols::simple_moves::AddCavitiesMover::get_cavities().

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

Definition at line 217 of file compute_sasa.hh.

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

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

Definition at line 216 of file compute_sasa.hh.

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

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

Definition at line 215 of file compute_sasa.hh.

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(), and core::scoring::packstat::prune_cavity_balls().

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

Definition at line 224 of file compute_sasa.hh.

Referenced by core::scoring::packstat::compute_surrounding_sasa(), and protocols::simple_moves::AddCavitiesMover::get_cavities().

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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