util.cc File Reference

Utility functions for SapScore. More...

#include <core/pack/guidance_scoreterms/sap/util.hh>
#include <core/pack/guidance_scoreterms/sap/SapConstraintOptions.hh>
#include <core/pack/guidance_scoreterms/sap/SapConstraintHelper.hh>
#include <core/id/AtomID.hh>
#include <core/conformation/Residue.hh>
#include <core/pack/rotamer_set/RotamerSet_.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pose/util.tmpl.hh>
#include <core/scoring/packing/surf_vol.hh>
#include <core/scoring/sasa.hh>
#include <utility/pointer/memory.hh>
#include <basic/Tracer.hh>
#include <chrono>
#include <thread>

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

Functions
static basic::Tracer	core::pack::guidance_scoreterms::sap::TR ("core.pack.guidance_scoreterms.sap.util")
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)