magnesium

Bindings for core::scoring::magnesium namespace

class pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential

Bases: pybind11_object

get_mg_potential_costheta_gaussian_parameter(self: pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential, rsd: pyrosetta.rosetta.core.conformation.Residue, j: int) → pyrosetta.rosetta.core.chemical.rna.GaussianParameter

C++: core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_costheta_gaussian_parameter(const class core::conformation::Residue &, const unsigned long) const –> class core::chemical::rna::GaussianParameter

get_mg_potential_costheta_indirect_gaussian_parameter(self: pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential, rsd: pyrosetta.rosetta.core.conformation.Residue, j: int) → pyrosetta.rosetta.core.chemical.rna.GaussianParameter

C++: core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_costheta_indirect_gaussian_parameter(const class core::conformation::Residue &, const unsigned long) const –> class core::chemical::rna::GaussianParameter

get_mg_potential_gaussian_parameter(*args, **kwargs)

Overloaded function.

1. get_mg_potential_gaussian_parameter(self: pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential, rsd: pyrosetta.rosetta.core.conformation.Residue, j: int, is_phosphate_oxygen: bool) -> pyrosetta.rosetta.core.chemical.rna.GaussianParameter

C++: core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_gaussian_parameter(const class core::conformation::Residue &, const unsigned long, bool &) const –> class core::chemical::rna::GaussianParameter

2. get_mg_potential_gaussian_parameter(self: pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential, rsd: pyrosetta.rosetta.core.conformation.Residue, j: int) -> pyrosetta.rosetta.core.chemical.rna.GaussianParameter

C++: core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_gaussian_parameter(const class core::conformation::Residue &, const unsigned long) const –> class core::chemical::rna::GaussianParameter

get_mg_potential_indirect_gaussian_parameter(self: pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential, rsd: pyrosetta.rosetta.core.conformation.Residue, j: int) → pyrosetta.rosetta.core.chemical.rna.GaussianParameter

C++: core::scoring::magnesium::MgKnowledgeBasedPotential::get_mg_potential_indirect_gaussian_parameter(const class core::conformation::Residue &, const unsigned long) const –> class core::chemical::rna::GaussianParameter

setup_info_for_mg_calculation(self: pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential, pose: pyrosetta.rosetta.core.pose.Pose) → None

C++: core::scoring::magnesium::MgKnowledgeBasedPotential::setup_info_for_mg_calculation(class core::pose::Pose &) const –> void

v_angle_width(self: pyrosetta.rosetta.core.scoring.magnesium.MgKnowledgeBasedPotential) → float

C++: core::scoring::magnesium::MgKnowledgeBasedPotential::v_angle_width() const –> double

pyrosetta.rosetta.core.scoring.magnesium.get_closest_orbital_axis(mg_rsd: pyrosetta.rosetta.core.conformation.Residue, j_xyz: pyrosetta.rosetta.numeric.xyzVector_double_t) → int

C++: core::scoring::magnesium::get_closest_orbital_axis(const class core::conformation::Residue &, const class numeric::xyzVector<double> &) –> unsigned long

pyrosetta.rosetta.core.scoring.magnesium.get_cos_angle_to_closest_orbital_axis(rsd1: pyrosetta.rosetta.core.conformation.Residue, j_xyz: pyrosetta.rosetta.numeric.xyzVector_double_t) → float

C++: core::scoring::magnesium::get_cos_angle_to_closest_orbital_axis(const class core::conformation::Residue &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.core.scoring.magnesium.get_cos_theta(*args, **kwargs)

Overloaded function.

1. get_cos_theta(rsd1: pyrosetta.rosetta.core.conformation.Residue, i: int, j_xyz: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

2. get_cos_theta(rsd1: pyrosetta.rosetta.core.conformation.Residue, i: int, j_xyz: pyrosetta.rosetta.numeric.xyzVector_double_t, i_base: int) -> float

C++: core::scoring::magnesium::get_cos_theta(const class core::conformation::Residue &, const unsigned long, const class numeric::xyzVector<double> &, const unsigned long) –> double

3. get_cos_theta(rsd1: pyrosetta.rosetta.core.conformation.Residue, i: int, j_xyz: pyrosetta.rosetta.numeric.xyzVector_double_t, i_base: int, xyz_base: pyrosetta.rosetta.numeric.xyzVector_double_t) -> float

C++: core::scoring::magnesium::get_cos_theta(const class core::conformation::Residue &, const unsigned long, const class numeric::xyzVector<double> &, unsigned long &, class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.core.scoring.magnesium.get_gaussian_deriv(mg_potential_gaussian_parameter: pyrosetta.rosetta.core.chemical.rna.GaussianParameter, d: float) → float

C++: core::scoring::magnesium::get_gaussian_deriv(const class core::chemical::rna::GaussianParameter &, const double &) –> double

pyrosetta.rosetta.core.scoring.magnesium.get_gaussian_potential_score(mg_potential_gaussian_parameter: pyrosetta.rosetta.core.chemical.rna.GaussianParameter, pos1: pyrosetta.rosetta.numeric.xyzVector_double_t, pos2: pyrosetta.rosetta.numeric.xyzVector_double_t) → float

C++: core::scoring::magnesium::get_gaussian_potential_score(const class core::chemical::rna::GaussianParameter &, const class numeric::xyzVector<double> &, const class numeric::xyzVector<double> &) –> double

pyrosetta.rosetta.core.scoring.magnesium.get_gaussian_score(mg_potential_gaussian_parameter: pyrosetta.rosetta.core.chemical.rna.GaussianParameter, d: float) → float

C++: core::scoring::magnesium::get_gaussian_score(const class core::chemical::rna::GaussianParameter &, const double &) –> double