atomic_depth

Bindings for core::scoring::atomic_depth namespace

class pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth

Bases: pybind11_builtins.pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, : pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth) pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth

C++: core::scoring::atomic_depth::AtomicDepth::operator=(const class core::scoring::atomic_depth::AtomicDepth &) –> class core::scoring::atomic_depth::AtomicDepth &

calcdepth(*args, **kwargs)

Overloaded function.

  1. calcdepth(self: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, atoms: pyrosetta.rosetta.utility.vector1_core_conformation_Atom, type_set: pyrosetta.rosetta.core.chemical.AtomTypeSet) -> pyrosetta.rosetta.utility.vector1_double

C++: core::scoring::atomic_depth::AtomicDepth::calcdepth(const class utility::vector1<class core::conformation::Atom, class std::allocator<class core::conformation::Atom> > &, const class core::chemical::AtomTypeSet &) const –> class utility::vector1<double, class std::allocator<double> >

  1. calcdepth(self: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, atom: pyrosetta.rosetta.core.conformation.Atom, type_set: pyrosetta.rosetta.core.chemical.AtomTypeSet) -> float

C++: core::scoring::atomic_depth::AtomicDepth::calcdepth(const class core::conformation::Atom &, const class core::chemical::AtomTypeSet &) const –> double

visualize_at_depth(*args, **kwargs)

Overloaded function.

  1. visualize_at_depth(self: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, depth: float, fname: str) -> None

  2. visualize_at_depth(self: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, depth: float, fname: str, fraction: float) -> None

C++: core::scoring::atomic_depth::AtomicDepth::visualize_at_depth(double, const std::string &, double) const –> void

pyrosetta.rosetta.core.scoring.atomic_depth.atomic_depth(*args, **kwargs)

Overloaded function.

  1. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  2. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, probe_radius: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  3. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, probe_radius: float, poly_leu_depth: bool) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  4. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, probe_radius: float, poly_leu_depth: bool, resolution: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

Calculate depth of all atoms from edge of Sasa surface.

C++: core::scoring::atomic_depth::atomic_depth(const class core::pose::Pose &, double, bool, double) –> class core::id::AtomID_Map<double>

  1. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  2. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, probe_radius: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  3. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, probe_radius: float, poly_leu_depth: bool) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  4. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, probe_radius: float, poly_leu_depth: bool, resolution: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

Calculate depth of all atoms from edge of Sasa surface.

If atomic_depth is a nullptr, will create one and return it.

Note that probe_radius and poly_leu_depth are ignored if atomic_depth is not null

C++: core::scoring::atomic_depth::atomic_depth(const class core::pose::Pose &, class std::shared_ptr<class core::scoring::atomic_depth::AtomicDepth> &, double, bool, double) –> class core::id::AtomID_Map<double>

  1. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  2. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t, probe_radius: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  3. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t, probe_radius: float, poly_leu_depth: bool) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  4. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t, probe_radius: float, poly_leu_depth: bool, resolution: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

Calculate depth of all atoms from edge of Sasa surface.

C++: core::scoring::atomic_depth::atomic_depth(const class core::pose::Pose &, class core::id::AtomID_Map<bool>, double, bool, double) –> class core::id::AtomID_Map<double>

  1. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  2. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, probe_radius: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  3. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, probe_radius: float, poly_leu_depth: bool) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

  4. atomic_depth(pose: pyrosetta.rosetta.core.pose.Pose, depth_atoms: pyrosetta.rosetta.core.id.AtomID_Map_bool_t, depth: pyrosetta.rosetta.core.scoring.atomic_depth.AtomicDepth, probe_radius: float, poly_leu_depth: bool, resolution: float) -> pyrosetta.rosetta.core.id.AtomID_Map_double_t

Calculate depth of all atoms from edge of Sasa surface.

If atomic_depth is a nullptr, will create one and return it.

Note that probe_radius and poly_leu_depth are ignored if atomic_depth is not null

C++: core::scoring::atomic_depth::atomic_depth(const class core::pose::Pose &, class core::id::AtomID_Map<bool>, class std::shared_ptr<class core::scoring::atomic_depth::AtomicDepth> &, double, bool, double) –> class core::id::AtomID_Map<double>

pyrosetta.rosetta.core.scoring.atomic_depth.atoms_deeper_than(*args, **kwargs)

Overloaded function.

  1. atoms_deeper_than(pose: pyrosetta.rosetta.core.pose.Pose, threshold: float) -> pyrosetta.rosetta.core.id.AtomID_Map_bool_t

  2. atoms_deeper_than(pose: pyrosetta.rosetta.core.pose.Pose, threshold: float, invert: bool) -> pyrosetta.rosetta.core.id.AtomID_Map_bool_t

  3. atoms_deeper_than(pose: pyrosetta.rosetta.core.pose.Pose, threshold: float, invert: bool, probe_radius: float) -> pyrosetta.rosetta.core.id.AtomID_Map_bool_t

  4. atoms_deeper_than(pose: pyrosetta.rosetta.core.pose.Pose, threshold: float, invert: bool, probe_radius: float, poly_leu_depth: bool) -> pyrosetta.rosetta.core.id.AtomID_Map_bool_t

  5. atoms_deeper_than(pose: pyrosetta.rosetta.core.pose.Pose, threshold: float, invert: bool, probe_radius: float, poly_leu_depth: bool, resolution: float) -> pyrosetta.rosetta.core.id.AtomID_Map_bool_t

Find all atoms deeper than threshold from the edge of the sasa surface.

C++: core::scoring::atomic_depth::atoms_deeper_than(const class core::pose::Pose &, double, bool, double, bool, double) –> class core::id::AtomID_Map<bool>

class pyrosetta.rosetta.core.scoring.atomic_depth.point3d

Bases: pybind11_builtins.pybind11_object

assign(self: pyrosetta.rosetta.core.scoring.atomic_depth.point3d, : pyrosetta.rosetta.core.scoring.atomic_depth.point3d) pyrosetta.rosetta.core.scoring.atomic_depth.point3d

C++: core::scoring::atomic_depth::point3d::operator=(const struct core::scoring::atomic_depth::point3d &) –> struct core::scoring::atomic_depth::point3d &

property x
property y
property z
class pyrosetta.rosetta.core.scoring.atomic_depth.volumepixel

Bases: pybind11_builtins.pybind11_object

property distance
property inout
property isbound
property isdone
class pyrosetta.rosetta.core.scoring.atomic_depth.voxel

Bases: pybind11_builtins.pybind11_object

property ix
property iy
property iz
class pyrosetta.rosetta.core.scoring.atomic_depth.voxel2

Bases: pybind11_builtins.pybind11_object

property ix
property iy
property iz