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util.hh File Reference

Utility functions for SapScore. More...

#include <core/pack/guidance_scoreterms/sap/SapConstraintOptions.fwd.hh>
#include <core/pack/guidance_scoreterms/sap/SapConstraintHelper.fwd.hh>
#include <core/id/AtomID_Map.hh>
#include <core/pack/rotamer_set/RotamerSets.hh>
#include <core/pose/Pose.hh>
#include <core/pack_basic/RotamerSetsBase.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>

Namespaces

 core
 A class for reading in the atom type properties.
 
 core::pack
 
 core::pack::guidance_scoreterms
 
 core::pack::guidance_scoreterms::sap
 

Functions

pack::rotamer_set::RotamerSetsOP core::pack::guidance_scoreterms::sap::rotamer_sets_from_pose (pose::Pose const &pose, utility::vector1< core::conformation::ResidueCOP > &res_vector)
 
SapConstraintHelperOP core::pack::guidance_scoreterms::sap::common_setup (SapConstraintOptionsOP const &options, pose::Pose const &pose, select::residue_selector::ResidueSelectorCOP const &score_sel, select::residue_selector::ResidueSelectorCOP const &sap_calculate_sel, select::residue_selector::ResidueSelectorCOP const &sasa_sel, utility::vector1< core::conformation::ResidueCOP > &res_vector)
 
Real core::pack::guidance_scoreterms::sap::calculate_sap (pose::Pose const &pose, select::residue_selector::ResidueSelectorCOP const &score_sel, select::residue_selector::ResidueSelectorCOP const &sap_calculate_sel, select::residue_selector::ResidueSelectorCOP const &sasa_sel)
 
core::id::AtomID_Map< Real > core::pack::guidance_scoreterms::sap::calculate_per_atom_sap (pose::Pose const &pose, select::residue_selector::ResidueSelectorCOP const &score_sel, select::residue_selector::ResidueSelectorCOP const &sap_calculate_sel, select::residue_selector::ResidueSelectorCOP const &sasa_sel)
 
utility::vector1< Real > core::pack::guidance_scoreterms::sap::calculate_per_res_sap (pose::Pose const &pose, select::residue_selector::ResidueSelectorCOP const &score_sel, select::residue_selector::ResidueSelectorCOP const &sap_calculate_sel, select::residue_selector::ResidueSelectorCOP const &sasa_sel)
 
Real core::pack::guidance_scoreterms::sap::calculate_slow_approx_sap (pose::Pose const &pose, select::residue_selector::ResidueSelectorCOP const &score_sel, select::residue_selector::ResidueSelectorCOP const &sap_calculate_sel, select::residue_selector::ResidueSelectorCOP const &sasa_sel)
 
core::id::AtomID_Map< Real > core::pack::guidance_scoreterms::sap::sap_atom_sasa (core::pose::Pose const &pose, select::residue_selector::ResidueSubset const &sasa_sub)
 

Detailed Description

Utility functions for SapScore.

Author
Brian Coventry (bcov@.nosp@m.uw.e.nosp@m.du)