#include <protocols/jd2/JobDistributor.hh>
#include <protocols/jd2/Job.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/ResidueFactory.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ChemicalManager.hh>
#include <core/pack/task/PackerTask.hh>
#include <core/pack/task/TaskFactory.hh>
#include <core/pack/rotamer_set/WaterAnchorInfo.hh>
#include <core/pack/rotamer_set/WaterPackingInfo.hh>
#include <core/pose/datacache/CacheableDataType.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/hbonds/HBondOptions.hh>
#include <core/scoring/hbonds/HBondSet.hh>
#include <core/scoring/hbonds/hbonds.hh>
#include <core/scoring/methods/EnergyMethodOptions.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/types.hh>
#include <core/import_pose/atom_tree_diffs/atom_tree_diff.hh>
#include <core/kinematics/MoveMap.hh>
#include <core/kinematics/FoldTree.hh>
#include <core/pack/task/ResfileReader.hh>
#include <basic/Tracer.hh>
#include <basic/options/option.hh>
#include <basic/options/keys/packing.OptionKeys.gen.hh>
#include <basic/options/keys/hydrate.OptionKeys.gen.hh>
#include <basic/options/keys/score.OptionKeys.gen.hh>
#include <basic/datacache/BasicDataCache.hh>
#include <utility/io/izstream.hh>
#include <utility/vector1.hh>
#include <numeric/NumericTraits.hh>
#include <string>
#include <iterator>
#include <numeric/random/random.hh>
#include <protocols/hydrate/hydrate_functions.hh>
#include <core/pack/task/ResidueLevelTask.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.

	protocols::hydrate

Functions
static basic::Tracer	TR ("protocols.hydrate.hydrate_functions")

void	protocols::hydrate::read_hyfile (std::string const &hyfile_name, utility::vector1< bool > &enforced_V, utility::vector1< bool > &hydrate_V)

bool	protocols::hydrate::is_inside (pose::Pose const &pose, Vector const &xyz)

bool	protocols::hydrate::atom_is_hydratable (pose::Pose const &pose, core::Size const residue, std::string const &atom)

bool	protocols::hydrate::atom_is_hydratable (pose::Pose const &pose, core::Size const residue, core::Size const atom)

void	protocols::hydrate::hydrate_hyfile (pose::Pose &pose, utility::vector1< bool > const &hydrate_V, std::string const &resfile="default")

void	protocols::hydrate::place_de_novo_wat_at_anchor (pose::Pose &pose)

void	protocols::hydrate::set_water_info_and_add_de_novo_water (pose::Pose &pose, core::scoring::ScoreFunction const &scorefxn)

void	protocols::hydrate::hydrate_cavities (pose::Pose &pose)

void	protocols::hydrate::set_dew_waters_not_to_be_included (pose::Pose &pose, Real const partial_hydrate_dew)

bool	protocols::hydrate::residue_near_water (pose::Pose const &pose, core::Size const ii)

void	protocols::hydrate::set_task_and_movemap (pose::Pose const &pose, std::string const &protein_flexibility, pack::task::PackerTaskOP &task, kinematics::MoveMap &mm, bool const minimize_bb_where_packing)

void	protocols::hydrate::calculate_water_overcoordinated_hb_correction (pose::Pose const &pose, utility::vector1< Real > &hb_correction)

void	protocols::hydrate::remove_high_energy_water_molecules (pose::Pose &pose, core::scoring::ScoreFunction const &scorefxn)

void	protocols::hydrate::enforce_all_waters (pose::Pose &pose)

void	protocols::hydrate::get_ready_for_sew_packing (pose::Pose &pose, pack::task::PackerTaskOP &task)

void	protocols::hydrate::remove_all_anchors_and_ENF (pose::Pose &pose)

void	protocols::hydrate::read_header (core::Size const total_res, std::string const &line, kinematics::MoveMap &mm)

void	protocols::hydrate::read_body (core::Size const total_res, std::string const &line, kinematics::MoveMap &mm)

void	protocols::hydrate::set_bb_movemap (pose::Pose const &pose, std::string const &mini_backbone_file_name, kinematics::MoveMap &mm)

void	protocols::hydrate::remove_non_buried_wat (pose::Pose &pose)

void	protocols::hydrate::add_water_overcoordinated_hb_score (pose::Pose &pose, core::scoring::ScoreFunction &scorefxn)

void	protocols::hydrate::show_water_hb_network (pose::Pose const &pose)

void	protocols::hydrate::water_specific_hbond_energy (pose::Pose &pose, core::scoring::ScoreFunction &scorefxn)

void	protocols::hydrate::set_task_with_de_novo_water_using_resfile (pose::Pose &pose, std::string resfile, pack::task::PackerTaskOP &task)

void	protocols::hydrate::print_residues_near_water (pose::Pose const &pose)

void	protocols::hydrate::append_single_far_away_water (pose::Pose &pose)

Function Documentation

◆ TR()

static basic::Tracer TR ( "protocols.hydrate.hydrate_functions" )

static

Namespaces

Functions

Function Documentation

◆ TR()