hydrate_functions.hh File Reference

#include <core/pack/task/PackerTask.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/kinematics/MoveMap.fwd.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/types.hh>

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

Functions
void	protocols::hydrate::read_hyfile (std::string const &hyfile_name, utility::vector1< bool > &enforced_V, utility::vector1< bool > &hydrate_V)
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)
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_cavities (pose::Pose &pose)
bool	protocols::hydrate::is_inside (pose::Pose const &pose, Vector const &xyz)
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::remove_high_energy_water_molecules (pose::Pose &pose, core::scoring::ScoreFunction const &scorefxn)
void	protocols::hydrate::calculate_water_overcoordinated_hb_correction (core::pose::Pose const &pose, utility::vector1< core::Real > &water_hb_correction)
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::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)