packstat

• old

Bindings for core::scoring::packstat namespace

pyrosetta.rosetta.core.scoring.packstat.check_surface_area_leerichards_deriv(*args, **kwargs)

Overloaded function.

1. check_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t
2. check_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t
3. check_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool, max_num: int) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::packstat::check_surface_area_leerichards_deriv(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool, unsigned long) –> class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > >

pyrosetta.rosetta.core.scoring.packstat.compute_atom_packing_scores(*args, **kwargs)

Overloaded function.

1. compute_atom_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData) -> pyrosetta.rosetta.utility.vector1_double
2. compute_atom_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, oversample: int) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::packstat::compute_atom_packing_scores(struct core::scoring::packstat::PosePackData &, unsigned long) –> class utility::vector1<double, class std::allocator<double> >

3. compute_atom_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t
4. compute_atom_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose, oversample: int) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

C++: core::scoring::packstat::compute_atom_packing_scores(const class core::pose::Pose &, unsigned long) –> class core::id::AtomID_Map<double>

pyrosetta.rosetta.core.scoring.packstat.compute_cav_ball_neighbor_count(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, dis: float) → None

C++: core::scoring::packstat::compute_cav_ball_neighbor_count(class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, double) –> void

pyrosetta.rosetta.core.scoring.packstat.compute_cav_ball_volumes(cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → None

C++: core::scoring::packstat::compute_cav_ball_volumes(class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const struct core::scoring::packstat::SasaOptions &) –> void

pyrosetta.rosetta.core.scoring.packstat.compute_packing_score(*args, **kwargs)

Overloaded function.

1. compute_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData) -> float
2. compute_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, oversample: int) -> float

C++: core::scoring::packstat::compute_packing_score(struct core::scoring::packstat::PosePackData &, unsigned long) –> double

3. compute_packing_score(pose: pyrosetta.rosetta.core.pose.Pose) -> float
4. compute_packing_score(pose: pyrosetta.rosetta.core.pose.Pose, oversample: int) -> float

C++: core::scoring::packstat::compute_packing_score(const class core::pose::Pose &, unsigned long) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_packing_score_leerichards(*args, **kwargs)

Overloaded function.

1. compute_packing_score_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float) -> float
2. compute_packing_score_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, plane: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::scoring::packstat::compute_packing_score_leerichards(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, class numeric::xyzVector<double>) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_residue_packing_score(*args, **kwargs)

Overloaded function.

1. compute_residue_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, seqpos: int) -> float
2. compute_residue_packing_score(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, seqpos: int, oversample: int) -> float

C++: core::scoring::packstat::compute_residue_packing_score(struct core::scoring::packstat::PosePackData &, const int, unsigned long) –> double

3. compute_residue_packing_score(pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int) -> float
4. compute_residue_packing_score(pose: pyrosetta.rosetta.core.pose.Pose, seqpos: int, oversample: int) -> float

C++: core::scoring::packstat::compute_residue_packing_score(const class core::pose::Pose &, const int, unsigned long) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_residue_packing_scores(*args, **kwargs)

Overloaded function.

1. compute_residue_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData) -> pyrosetta.rosetta.utility.vector1_double
2. compute_residue_packing_scores(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, oversample: int) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::packstat::compute_residue_packing_scores(struct core::scoring::packstat::PosePackData &, unsigned long) –> class utility::vector1<double, class std::allocator<double> >

3. compute_residue_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.utility.vector1_double
4. compute_residue_packing_scores(pose: pyrosetta.rosetta.core.pose.Pose, oversample: int) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::packstat::compute_residue_packing_scores(const class core::pose::Pose &, unsigned long) –> class utility::vector1<double, class std::allocator<double> >

pyrosetta.rosetta.core.scoring.packstat.compute_sasa(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.core.scoring.packstat.SasaResult

C++: core::scoring::packstat::compute_sasa(class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, const struct core::scoring::packstat::SasaOptions &) –> class std::shared_ptr<struct core::scoring::packstat::SasaResult>

pyrosetta.rosetta.core.scoring.packstat.compute_surface_area_leerichards(*args, **kwargs)

Overloaded function.

1. compute_surface_area_leerichards(buried_area_out: float, pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> float
2. compute_surface_area_leerichards(buried_area_out: float, pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> float
3. compute_surface_area_leerichards(buried_area_out: float, pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool, plane: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::scoring::packstat::compute_surface_area_leerichards(double &, class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool, class numeric::xyzVector<double>) –> double

4. compute_surface_area_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> float
5. compute_surface_area_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> float
6. compute_surface_area_leerichards(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool, plane: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::scoring::packstat::compute_surface_area_leerichards(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool, class numeric::xyzVector<double>) –> double

pyrosetta.rosetta.core.scoring.packstat.compute_surface_area_leerichards_deriv(*args, **kwargs)

Overloaded function.

1. compute_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t
2. compute_surface_area_leerichards_deriv(pd: pyrosetta.rosetta.core.scoring.packstat.PosePackData, slicesize: float, pr: float, csa: bool) -> pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::packstat::compute_surface_area_leerichards_deriv(class std::shared_ptr<struct core::scoring::packstat::PosePackData>, double, double, bool) –> class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > >

pyrosetta.rosetta.core.scoring.packstat.compute_surrounding_sasa(xyz: pyrosetta.rosetta.numeric.xyzVector_double_t, spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, result: pyrosetta.rosetta.core.scoring.packstat.SasaResult, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.core.scoring.packstat.PackingScoreResData

C++: core::scoring::packstat::compute_surrounding_sasa(const class numeric::xyzVector<double> &, class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, class std::shared_ptr<struct core::scoring::packstat::SasaResult>, const struct core::scoring::packstat::SasaOptions &) –> class std::shared_ptr<struct core::scoring::packstat::PackingScoreResData>

pyrosetta.rosetta.core.scoring.packstat.get_sasa_dot_locations() → pyrosetta.rosetta.utility.vector1_numeric_xyzVector_double_t

C++: core::scoring::packstat::get_sasa_dot_locations() –> const class utility::vector1<class numeric::xyzVector<double>, class std::allocator<class numeric::xyzVector<double> > >

pyrosetta.rosetta.core.scoring.packstat.init_packing_score_discrim(p: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → None

C++: core::scoring::packstat::init_packing_score_discrim(struct core::scoring::packstat::PackingScore &) –> void

pyrosetta.rosetta.core.scoring.packstat.init_packing_score_respred(p: pyrosetta.rosetta.core.scoring.packstat.PackingScore) → None

C++: core::scoring::packstat::init_packing_score_respred(struct core::scoring::packstat::PackingScore &) –> void

pyrosetta.rosetta.core.scoring.packstat.max_rad(*args, **kwargs)

Overloaded function.

1. max_rad(s: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere) -> float

C++: core::scoring::packstat::max_rad(const class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &) –> double

2. max_rad(s: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall) -> float

C++: core::scoring::packstat::max_rad(const class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &) –> double

pyrosetta.rosetta.core.scoring.packstat.output_packstat_pdb(pose: pyrosetta.rosetta.core.pose.Pose, out: pyrosetta.rosetta.std.ostream) → None

C++: core::scoring::packstat::output_packstat_pdb(class core::pose::Pose &, class std::basic_ostream<char> &) –> void

pyrosetta.rosetta.core.scoring.packstat.pose_to_pack_data(*args, **kwargs)

Overloaded function.

1. pose_to_pack_data(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.scoring.packstat.PosePackData
2. pose_to_pack_data(pose: pyrosetta.rosetta.core.pose.Pose, include_water: int) -> pyrosetta.rosetta.core.scoring.packstat.PosePackData

C++: core::scoring::packstat::pose_to_pack_data(const class core::pose::Pose &, int) –> struct core::scoring::packstat::PosePackData

pyrosetta.rosetta.core.scoring.packstat.prune_cavity_balls(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall

C++: core::scoring::packstat::prune_cavity_balls(class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const struct core::scoring::packstat::SasaOptions &) –> class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >

pyrosetta.rosetta.core.scoring.packstat.prune_hidden_cavity_balls(cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, opts: pyrosetta.rosetta.core.scoring.packstat.SasaOptions) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall

C++: core::scoring::packstat::prune_hidden_cavity_balls(class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const struct core::scoring::packstat::SasaOptions &) –> class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >

pyrosetta.rosetta.core.scoring.packstat.search_x(*args, **kwargs)

Overloaded function.

1. search_x(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, x: float, begin: int, end: int) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, const double, unsigned long, unsigned long) –> unsigned long

2. search_x(spheres: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_Sphere, x: float) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<struct core::scoring::packstat::Sphere, class std::allocator<struct core::scoring::packstat::Sphere> > &, const double) –> unsigned long

3. search_x(cbs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, x: float, begin: int, end: int) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const double, unsigned long, unsigned long) –> unsigned long

4. search_x(cbs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, x: float) -> int

C++: core::scoring::packstat::search_x(const class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> > &, const double) –> unsigned long

pyrosetta.rosetta.core.scoring.packstat.select_cav_balls(cavballs: pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall, spacing: float) → pyrosetta.rosetta.utility.vector1_core_scoring_packstat_CavityBall

C++: core::scoring::packstat::select_cav_balls(class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >, double) –> class utility::vector1<class core::scoring::packstat::CavityBall, class std::allocator<class core::scoring::packstat::CavityBall> >