geometry

Bindings for protocols::geometry namespace

pyrosetta.rosetta.protocols.geometry.center_of_mass(pose: pyrosetta.rosetta.core.pose.Pose, start: int, stop: int) → pyrosetta.rosetta.numeric.xyzVector_double_t

center_of_mass

calculates the center of mass of a pose

the start and stop positions (or residues) within the pose are used to find the starting and finishing locations

Monica Berrondo June 14 2007

_modified Javier Castellanos June 4 2012

C++: protocols::geometry::center_of_mass(const class core::pose::Pose &, const int, const int) –> class numeric::xyzVector<double>

pyrosetta.rosetta.protocols.geometry.centroid_by_chain(pose: pyrosetta.rosetta.core.pose.Pose, chain_id: int) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: protocols::geometry::centroid_by_chain(const class core::pose::Pose &, const unsigned long) –> class numeric::xyzVector<double>

pyrosetta.rosetta.protocols.geometry.centroid_by_chains(pose: pyrosetta.rosetta.core.pose.Pose, chain_ids: pyrosetta.rosetta.utility.vector1_unsigned_long) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: protocols::geometry::centroid_by_chains(const class core::pose::Pose &, class utility::vector1<unsigned long, class std::allocator<unsigned long> >) –> class numeric::xyzVector<double>

pyrosetta.rosetta.protocols.geometry.centroid_by_residues(residue_c_pointers: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_conformation_Residue_t) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: protocols::geometry::centroid_by_residues(class utility::vector1<class std::shared_ptr<const class core::conformation::Residue>, class std::allocator<class std::shared_ptr<const class core::conformation::Residue> > >) –> class numeric::xyzVector<double>

pyrosetta.rosetta.protocols.geometry.centroid_pair_by_jump(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int) → Tuple[pyrosetta.rosetta.numeric.xyzVector_double_t, pyrosetta.rosetta.numeric.xyzVector_double_t]

C++: protocols::geometry::centroid_pair_by_jump(const class core::pose::Pose &, unsigned long) –> struct std::pair<class numeric::xyzVector<double>, class numeric::xyzVector<double> >

pyrosetta.rosetta.protocols.geometry.centroids_by_jump(*args, **kwargs)

Overloaded function.

  1. centroids_by_jump(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int, upstream_ctrd: pyrosetta.rosetta.numeric.xyzVector_double_t, downstream_ctrd: pyrosetta.rosetta.numeric.xyzVector_double_t) -> None

C++: protocols::geometry::centroids_by_jump(const class core::pose::Pose &, const unsigned long, class numeric::xyzVector<double> &, class numeric::xyzVector<double> &) –> void

  1. centroids_by_jump(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int, upstream_ctrd: pyrosetta.rosetta.numeric.xyzVector_double_t, downstream_ctrd: pyrosetta.rosetta.numeric.xyzVector_double_t, ok_for_centroid_calculation: pyrosetta.rosetta.utility.vector1_bool) -> None

C++: protocols::geometry::centroids_by_jump(const class core::pose::Pose &, const unsigned long, class numeric::xyzVector<double> &, class numeric::xyzVector<double> &, class utility::vector1<bool, class std::allocator<bool> >) –> void

pyrosetta.rosetta.protocols.geometry.centroids_by_jump_int(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int, upstream_ctrd: pyrosetta.rosetta.numeric.xyzVector_double_t, downstream_ctrd: pyrosetta.rosetta.numeric.xyzVector_double_t) → None

C++: protocols::geometry::centroids_by_jump_int(const class core::pose::Pose &, unsigned long, class numeric::xyzVector<double> &, class numeric::xyzVector<double> &) –> void

pyrosetta.rosetta.protocols.geometry.downstream_centroid_by_jump(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: protocols::geometry::downstream_centroid_by_jump(const class core::pose::Pose &, unsigned long) –> class numeric::xyzVector<double>

pyrosetta.rosetta.protocols.geometry.random_reorientation_matrix(*args, **kwargs)

Overloaded function.

  1. random_reorientation_matrix() -> pyrosetta.rosetta.numeric.xyzMatrix_double_t

  2. random_reorientation_matrix(phi_range: float) -> pyrosetta.rosetta.numeric.xyzMatrix_double_t

  3. random_reorientation_matrix(phi_range: float, psi_range: float) -> pyrosetta.rosetta.numeric.xyzMatrix_double_t

C++: protocols::geometry::random_reorientation_matrix(const double, const double) –> class numeric::xyzMatrix<double>

pyrosetta.rosetta.protocols.geometry.upstream_centroid_by_jump(pose: pyrosetta.rosetta.core.pose.Pose, jump_id: int) → pyrosetta.rosetta.numeric.xyzVector_double_t

C++: protocols::geometry::upstream_centroid_by_jump(const class core::pose::Pose &, unsigned long) –> class numeric::xyzVector<double>