hydrate

Bindings for protocols::hydrate namespace

pyrosetta.rosetta.protocols.hydrate.add_water_overcoordinated_hb_score(pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::hydrate::add_water_overcoordinated_hb_score(class core::pose::Pose &, class core::scoring::ScoreFunction &) –> void

pyrosetta.rosetta.protocols.hydrate.append_single_far_away_water(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::append_single_far_away_water(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.atom_is_hydratable(*args, **kwargs)

Overloaded function.

1. atom_is_hydratable(pose: pyrosetta.rosetta.core.pose.Pose, residue: int, atom: str) -> bool

C++: protocols::hydrate::atom_is_hydratable(const class core::pose::Pose &, const unsigned long, const class std::basic_string<char> &) –> bool

2. atom_is_hydratable(pose: pyrosetta.rosetta.core.pose.Pose, residue: int, atom: int) -> bool

C++: protocols::hydrate::atom_is_hydratable(const class core::pose::Pose &, const unsigned long, const unsigned long) –> bool

pyrosetta.rosetta.protocols.hydrate.calculate_water_overcoordinated_hb_correction(pose: pyrosetta.rosetta.core.pose.Pose, water_hb_correction: pyrosetta.rosetta.utility.vector1_double) → None

C++: protocols::hydrate::calculate_water_overcoordinated_hb_correction(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &) –> void

pyrosetta.rosetta.protocols.hydrate.enforce_all_waters(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::enforce_all_waters(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.get_ready_for_sew_packing(pose: pyrosetta.rosetta.core.pose.Pose, task: pyrosetta.rosetta.core.pack.task.PackerTask) → None

C++: protocols::hydrate::get_ready_for_sew_packing(class core::pose::Pose &, class std::shared_ptr<class core::pack::task::PackerTask> &) –> void

pyrosetta.rosetta.protocols.hydrate.hydrate_cavities(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::hydrate_cavities(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.hydrate_hyfile(pose: pyrosetta.rosetta.core.pose.Pose, hydrate_V: pyrosetta.rosetta.utility.vector1_bool, resfile: str) → None

C++: protocols::hydrate::hydrate_hyfile(class core::pose::Pose &, const class utility::vector1<bool, class std::allocator<bool> > &, const class std::basic_string<char> &) –> void

pyrosetta.rosetta.protocols.hydrate.is_inside(pose: pyrosetta.rosetta.core.pose.Pose, xyz: pyrosetta.rosetta.numeric.xyzVector_double_t) → bool

C++: protocols::hydrate::is_inside(const class core::pose::Pose &, const class numeric::xyzVector<double> &) –> bool

pyrosetta.rosetta.protocols.hydrate.place_de_novo_wat_at_anchor(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::place_de_novo_wat_at_anchor(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.print_residues_near_water(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::print_residues_near_water(const class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.read_hyfile(hyfile: str, enforced_V: pyrosetta.rosetta.utility.vector1_bool, hydrate_V: pyrosetta.rosetta.utility.vector1_bool) → None

C++: protocols::hydrate::read_hyfile(const class std::basic_string<char> &, class utility::vector1<bool, class std::allocator<bool> > &, class utility::vector1<bool, class std::allocator<bool> > &) –> void

pyrosetta.rosetta.protocols.hydrate.remove_all_anchors_and_ENF(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::remove_all_anchors_and_ENF(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.remove_high_energy_water_molecules(pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::hydrate::remove_high_energy_water_molecules(class core::pose::Pose &, const class core::scoring::ScoreFunction &) –> void

pyrosetta.rosetta.protocols.hydrate.remove_non_buried_wat(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::remove_non_buried_wat(class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.residue_near_water(pose: pyrosetta.rosetta.core.pose.Pose, ii: int) → bool

C++: protocols::hydrate::residue_near_water(const class core::pose::Pose &, const unsigned long) –> bool

pyrosetta.rosetta.protocols.hydrate.set_bb_movemap(pose: pyrosetta.rosetta.core.pose.Pose, mini_backbone_file_name: str, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None

C++: protocols::hydrate::set_bb_movemap(const class core::pose::Pose &, const class std::basic_string<char> &, class core::kinematics::MoveMap &) –> void

pyrosetta.rosetta.protocols.hydrate.set_dew_waters_not_to_be_included(pose: pyrosetta.rosetta.core.pose.Pose, partial_hydrate_dew: float) → None

C++: protocols::hydrate::set_dew_waters_not_to_be_included(class core::pose::Pose &, const double) –> void

pyrosetta.rosetta.protocols.hydrate.set_task_and_movemap(pose: pyrosetta.rosetta.core.pose.Pose, protein_flexibility: str, task: pyrosetta.rosetta.core.pack.task.PackerTask, mm: pyrosetta.rosetta.core.kinematics.MoveMap, minimize_bb_where_packing: bool) → None

C++: protocols::hydrate::set_task_and_movemap(const class core::pose::Pose &, const class std::basic_string<char> &, class std::shared_ptr<class core::pack::task::PackerTask> &, class core::kinematics::MoveMap &, const bool) –> void

pyrosetta.rosetta.protocols.hydrate.set_task_with_de_novo_water_using_resfile(pose: pyrosetta.rosetta.core.pose.Pose, resfile: str, task: pyrosetta.rosetta.core.pack.task.PackerTask) → None

C++: protocols::hydrate::set_task_with_de_novo_water_using_resfile(class core::pose::Pose &, class std::basic_string<char>, class std::shared_ptr<class core::pack::task::PackerTask> &) –> void

pyrosetta.rosetta.protocols.hydrate.set_water_info_and_add_de_novo_water(pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::hydrate::set_water_info_and_add_de_novo_water(class core::pose::Pose &, const class core::scoring::ScoreFunction &) –> void

pyrosetta.rosetta.protocols.hydrate.show_water_hb_network(pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: protocols::hydrate::show_water_hb_network(const class core::pose::Pose &) –> void

pyrosetta.rosetta.protocols.hydrate.water_specific_hbond_energy(pose: pyrosetta.rosetta.core.pose.Pose, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

C++: protocols::hydrate::water_specific_hbond_energy(class core::pose::Pose &, class core::scoring::ScoreFunction &) –> void