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core::scoring::sasa::LeGrandSasa Member List

This is the complete list of members for core::scoring::sasa::LeGrandSasa, including all inherited members.

angles_core::scoring::sasa::LeGrandSasaprivate
calc_atom_masks(conformation::Residue const &irsd, conformation::Residue const &jrsd, Real const probe_radius, Real const cutoff_distance, utility::vector1< Real > const &radii, id::AtomID_Map< bool > const &atom_subset, id::AtomID_Map< utility::vector1< ObjexxFCL::ubyte > > &atom_mask) constcore::scoring::sasa::LeGrandSasa
calculate(const pose::Pose &pose, const id::AtomID_Map< bool > &atom_subset, id::AtomID_Map< Real > &atom_sasa, utility::vector1< Real > &rsd_sasa) overridecore::scoring::sasa::LeGrandSasavirtual
get_2way_orientation(Vector const &a_xyz, Vector const &b_xyz, int &phi_a2b_index, int &theta_a2b_index, int &phi_b2a_index, int &theta_b2a_index, Real distance_ijxyz) constcore::scoring::sasa::LeGrandSasa
get_angles() constcore::scoring::sasa::LeGrandSasa
get_masks() constcore::scoring::sasa::LeGrandSasa
get_name() const overridecore::scoring::sasa::LeGrandSasavirtual
get_orientation(Vector const &a_xyz, Vector const &b_xyz, int &phi_index, int &theta_index, Real distance_ijxyz) constcore::scoring::sasa::LeGrandSasa
get_overlap(Real const radius_a, Real const radius_b, Real const distance_ijxyz, int &degree_of_overlap) constcore::scoring::sasa::LeGrandSasa
include_probe_radius_core::scoring::sasa::SasaMethodprotected
init()core::scoring::sasa::LeGrandSasaprivate
is_polar_atom(core::conformation::Residue const &rsd, core::Size const atom_index)core::scoring::sasa::SasaMethodstatic
LeGrandSasa(Real probe_radius, SasaRadii radii_set)core::scoring::sasa::LeGrandSasa
list_sasa_method_hp_modes()core::scoring::sasa::SasaMethodstatic
maskbits_core::scoring::sasa::LeGrandSasaprivate
masks_core::scoring::sasa::LeGrandSasaprivate
num_bytes_core::scoring::sasa::LeGrandSasaprivate
num_orientations_core::scoring::sasa::LeGrandSasaprivate
num_overlaps_core::scoring::sasa::LeGrandSasaprivate
num_phi_core::scoring::sasa::LeGrandSasaprivate
num_theta_core::scoring::sasa::LeGrandSasaprivate
print_dot_bit_string(utility::vector1< ObjexxFCL::ubyte > &values) constcore::scoring::sasa::LeGrandSasaprivate
probe_radius_core::scoring::sasa::SasaMethodprotected
radii_set_core::scoring::sasa::SasaMethodprotected
read_angles()core::scoring::sasa::LeGrandSasaprivate
read_masks()core::scoring::sasa::LeGrandSasaprivate
sasa_method_hp_mode() constcore::scoring::sasa::SasaMethodinline
sasa_method_hp_mode_core::scoring::sasa::SasaMethodprivate
sasa_metric_mode_from_name(std::string const &mode_name)core::scoring::sasa::SasaMethodstatic
sasa_metric_name_from_mode(SasaMethodHPMode const mode)core::scoring::sasa::SasaMethodstatic
SasaMethod(Real probe_radius, SasaRadii radii_set)core::scoring::sasa::SasaMethod
set_include_probe_radius_in_calc(bool include_probe_radius)core::scoring::sasa::SasaMethod
set_probe_radius(Real probe_radius)core::scoring::sasa::SasaMethod
set_radii_set(SasaRadii radii_set)core::scoring::sasa::SasaMethod
set_sasa_method_hp_mode(SasaMethodHPMode const mode_in)core::scoring::sasa::SasaMethod
set_use_big_polar_hydrogen(bool big_polar_h)core::scoring::sasa::SasaMethod
skip_atom(core::conformation::Residue const &rsd, core::Size const atom_index, SasaMethodHPMode const hp_mode)core::scoring::sasa::SasaMethodstatic
use_big_polar_H_core::scoring::sasa::SasaMethodprotected
~ LeGrandSasa() overridecore::scoring::sasa::LeGrandSasa
~SasaMethod() overridecore::scoring::sasa::SasaMethod