branch_angle¶
Bindings for protocols::branch_angle namespace
- class pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer¶
Bases:
pybind11_object
- bond_angle_residue_type_param_set(*args, **kwargs)¶
Overloaded function.
bond_angle_residue_type_param_set(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) -> pyrosetta.rosetta.core.scoring.mm.MMBondAngleResidueTypeParamSet
C++: protocols::branch_angle::BranchAngleOptimizer::bond_angle_residue_type_param_set() –> class std::shared_ptr<class core::scoring::mm::MMBondAngleResidueTypeParamSet>
bond_angle_residue_type_param_set(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, param_set: pyrosetta.rosetta.core.scoring.mm.MMBondAngleResidueTypeParamSet) -> None
set input MMBondAngleResidueTypeParamSet, sharing with the input
C++: protocols::branch_angle::BranchAngleOptimizer::bond_angle_residue_type_param_set(class std::shared_ptr<class core::scoring::mm::MMBondAngleResidueTypeParamSet>) –> void
bond_angle_residue_type_param_set(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, param_set: pyrosetta.rosetta.core.scoring.mm.MMBondAngleResidueTypeParamSet) -> None
set input MMBondAngleResidueTypeParamSet, making a copy
C++: protocols::branch_angle::BranchAngleOptimizer::bond_angle_residue_type_param_set(class std::shared_ptr<const class core::scoring::mm::MMBondAngleResidueTypeParamSet>) –> void
- initialized(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) bool ¶
C++: protocols::branch_angle::BranchAngleOptimizer::initialized() const –> bool
- num_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) int ¶
get number of single branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::num_coef1() const –> unsigned long
- num_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) int ¶
get number of double branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::num_coef2() const –> unsigned long
- num_undefined_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) int ¶
get number of undefined single branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::num_undefined_coef1() const –> unsigned long
- num_undefined_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) int ¶
get number of undefined double branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::num_undefined_coef2() const –> unsigned long
- optimize_angles(*args, **kwargs)¶
Overloaded function.
optimize_angles(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, pose: pyrosetta.rosetta.core.pose.Pose, main_atomid1: pyrosetta.rosetta.core.id.AtomID, center_atomid: pyrosetta.rosetta.core.id.AtomID, main_atomid2: pyrosetta.rosetta.core.id.AtomID) -> int
optimize_angles(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, pose: pyrosetta.rosetta.core.pose.Pose, main_atomid1: pyrosetta.rosetta.core.id.AtomID, center_atomid: pyrosetta.rosetta.core.id.AtomID, main_atomid2: pyrosetta.rosetta.core.id.AtomID, optimize_for_minimum: bool) -> int
optimize angles branching off the defined mainchain
C++: protocols::branch_angle::BranchAngleOptimizer::optimize_angles(class core::pose::Pose &, class core::id::AtomID, class core::id::AtomID, class core::id::AtomID, bool) –> unsigned long
- overall_params(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, pose: pyrosetta.rosetta.core.pose.Pose, main_atomid1: pyrosetta.rosetta.core.id.AtomID, center_atomid: pyrosetta.rosetta.core.id.AtomID, main_atomid2: pyrosetta.rosetta.core.id.AtomID, Ktheta: float, theta0: float, energy0: float) int ¶
get overall bond angle parameters for the defined mainchian
C++: protocols::branch_angle::BranchAngleOptimizer::overall_params(const class core::pose::Pose &, class core::id::AtomID, class core::id::AtomID, class core::id::AtomID, double &, double &, double &) –> unsigned long
- param1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, pose: pyrosetta.rosetta.core.pose.Pose, main_atomid1: pyrosetta.rosetta.core.id.AtomID, center_atomid: pyrosetta.rosetta.core.id.AtomID, main_atomid2: pyrosetta.rosetta.core.id.AtomID, branch_atomid1: pyrosetta.rosetta.core.id.AtomID) protocols::branch_angle::BranchParam1 ¶
get single branching atom bond angle parameters
C++: protocols::branch_angle::BranchAngleOptimizer::param1(const class core::pose::Pose &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &) const –> class protocols::branch_angle::BranchParam1
- param2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, pose: pyrosetta.rosetta.core.pose.Pose, main_atomid1: pyrosetta.rosetta.core.id.AtomID, center_atomid: pyrosetta.rosetta.core.id.AtomID, main_atomid2: pyrosetta.rosetta.core.id.AtomID, branch_atomid1: pyrosetta.rosetta.core.id.AtomID, branch_atomid2: pyrosetta.rosetta.core.id.AtomID) protocols::branch_angle::BranchParam2 ¶
get double branching atom bond angle parameters
C++: protocols::branch_angle::BranchAngleOptimizer::param2(const class core::pose::Pose &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &, const class core::id::AtomID &) const –> class protocols::branch_angle::BranchParam2
- read_coef1(*args, **kwargs)¶
Overloaded function.
read_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, in: pyrosetta.rosetta.std.istream) -> None
read single branching atom coefficients from an input stream
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef1(std::istream &) –> void
read_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, filename: str) -> bool
read single branching atom coefficients from a file
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef1(const std::string &) –> bool
- read_coef1_default(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) None ¶
read single branching atom coefficients from default database file
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef1_default() –> void
- read_coef1_user(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) bool ¶
read single branching atom coefficients from user database file
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef1_user() –> bool
- read_coef2(*args, **kwargs)¶
Overloaded function.
read_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, in: pyrosetta.rosetta.std.istream) -> None
read single branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef2(std::istream &) –> void
read_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, filename: str) -> bool
read double branching atom coefficients from a file
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef2(const std::string &) –> bool
- read_coef2_default(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) None ¶
read double branching atom coefficients from default database file
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef2_default() –> void
- read_coef2_user(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) bool ¶
read double branching atom coefficients from user database file
C++: protocols::branch_angle::BranchAngleOptimizer::read_coef2_user() –> bool
- read_database(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) None ¶
read known parameters from the database
C++: protocols::branch_angle::BranchAngleOptimizer::read_database() –> void
- read_undefined_coef1(*args, **kwargs)¶
Overloaded function.
read_undefined_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, in: pyrosetta.rosetta.std.istream) -> None
read parameters for undefined single branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::read_undefined_coef1(std::istream &) –> void
read_undefined_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, filename: str) -> bool
read parameters for undefined single branching atom coefficients from a file
C++: protocols::branch_angle::BranchAngleOptimizer::read_undefined_coef1(const std::string &) –> bool
read_undefined_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) -> bool
read single branching atom undefined coefficients from the database file
C++: protocols::branch_angle::BranchAngleOptimizer::read_undefined_coef1() –> bool
- read_undefined_coef2(*args, **kwargs)¶
Overloaded function.
read_undefined_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, in: pyrosetta.rosetta.std.istream) -> None
read parameters for undefined double branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::read_undefined_coef2(std::istream &) –> void
read_undefined_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, filename: str) -> bool
read parameters for undefined double branching atom coefficients from a file
C++: protocols::branch_angle::BranchAngleOptimizer::read_undefined_coef2(const std::string &) –> bool
read_undefined_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) -> bool
read double branching atom undefined coefficients from the database file
C++: protocols::branch_angle::BranchAngleOptimizer::read_undefined_coef2() –> bool
- tolerance(*args, **kwargs)¶
Overloaded function.
tolerance(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) -> float
C++: protocols::branch_angle::BranchAngleOptimizer::tolerance() const –> double
tolerance(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, tolerance: float) -> None
C++: protocols::branch_angle::BranchAngleOptimizer::tolerance(double) –> void
- write_database(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) None ¶
write undefined parameters to the database
C++: protocols::branch_angle::BranchAngleOptimizer::write_database() const –> void
- write_undefined_coef1(*args, **kwargs)¶
Overloaded function.
write_undefined_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, out: pyrosetta.rosetta.std.ostream) -> None
write out parameters for undefined single branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef1(std::ostream &) const –> void
write_undefined_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, filename: str) -> bool
write parameters for undefined single branching atom coefficients to a file
C++: protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef1(const std::string &) const –> bool
write_undefined_coef1(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) -> bool
write single branching atom undefined coefficients to the database file
C++: protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef1() const –> bool
- write_undefined_coef2(*args, **kwargs)¶
Overloaded function.
write_undefined_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, out: pyrosetta.rosetta.std.ostream) -> None
write out parameters for undefined double branching atom coefficients
C++: protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2(std::ostream &) const –> void
write_undefined_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer, filename: str) -> bool
write parameters for undefined double branching atom coefficients to a file
C++: protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2(const std::string &) const –> bool
write_undefined_coef2(self: pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer) -> bool
write double branching atom undefined coefficients to the database file
C++: protocols::branch_angle::BranchAngleOptimizer::write_undefined_coef2() const –> bool
- class pyrosetta.rosetta.protocols.branch_angle.BranchCoef1¶
Bases:
pybind11_object
a class to store coefficients for branching angle optimization around a single atom atom with three bonded neighbors
- b1_bond_angle_A(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 bond angle A coefficient (angle^0)
C++: protocols::branch_angle::BranchCoef1::b1_bond_angle_A() const –> double
- b1_bond_angle_B(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 bond angle B coefficient (angle^1)
C++: protocols::branch_angle::BranchCoef1::b1_bond_angle_B() const –> double
- b1_bond_angle_C(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 bond angle C coefficient (angle^2)
C++: protocols::branch_angle::BranchCoef1::b1_bond_angle_C() const –> double
- b1_torsion_offset_A(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 torsion offset A coefficient (angle^0)
C++: protocols::branch_angle::BranchCoef1::b1_torsion_offset_A() const –> double
- b1_torsion_offset_B(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 torsion offset B coefficient (angle^1)
C++: protocols::branch_angle::BranchCoef1::b1_torsion_offset_B() const –> double
- b1_torsion_offset_C(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 torsion offset C coefficient (angle^2)
C++: protocols::branch_angle::BranchCoef1::b1_torsion_offset_C() const –> double
- evaluate(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1, m2_bond_angle: float, b1_torsion_offset: float, b1_bond_angle: float) None ¶
calculate single branching angles for a main chain bond angle
C++: protocols::branch_angle::BranchCoef1::evaluate(const double, double &, double &) const –> void
- overall_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get overall Ktheta parameter
C++: protocols::branch_angle::BranchCoef1::overall_Ktheta() const –> double
- overall_energy0(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get overall energy0 parameter
C++: protocols::branch_angle::BranchCoef1::overall_energy0() const –> double
- overall_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get overall theta0 parameter
C++: protocols::branch_angle::BranchCoef1::overall_theta0() const –> double
- class pyrosetta.rosetta.protocols.branch_angle.BranchCoef2¶
Bases:
BranchCoef1
a class to store coefficients for branching angle optimization around a single atom atom with three bonded neighbors
- b1_bond_angle_A(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 bond angle A coefficient (angle^0)
C++: protocols::branch_angle::BranchCoef1::b1_bond_angle_A() const –> double
- b1_bond_angle_B(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 bond angle B coefficient (angle^1)
C++: protocols::branch_angle::BranchCoef1::b1_bond_angle_B() const –> double
- b1_bond_angle_C(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 bond angle C coefficient (angle^2)
C++: protocols::branch_angle::BranchCoef1::b1_bond_angle_C() const –> double
- b1_torsion_offset_A(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 torsion offset A coefficient (angle^0)
C++: protocols::branch_angle::BranchCoef1::b1_torsion_offset_A() const –> double
- b1_torsion_offset_B(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 torsion offset B coefficient (angle^1)
C++: protocols::branch_angle::BranchCoef1::b1_torsion_offset_B() const –> double
- b1_torsion_offset_C(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get branching atom 1 torsion offset C coefficient (angle^2)
C++: protocols::branch_angle::BranchCoef1::b1_torsion_offset_C() const –> double
- b2_bond_angle_A(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef2) float ¶
get branching atom 2 bond angle A coefficient (angle^0)
C++: protocols::branch_angle::BranchCoef2::b2_bond_angle_A() const –> double
- b2_bond_angle_B(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef2) float ¶
get branching atom 2 bond angle B coefficient (angle^1)
C++: protocols::branch_angle::BranchCoef2::b2_bond_angle_B() const –> double
- b2_bond_angle_C(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef2) float ¶
get branching atom 2 bond angle C coefficient (angle^2)
C++: protocols::branch_angle::BranchCoef2::b2_bond_angle_C() const –> double
- b2_torsion_offset_A(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef2) float ¶
get branching atom 2 torsion offset A coefficient (angle^0)
C++: protocols::branch_angle::BranchCoef2::b2_torsion_offset_A() const –> double
- b2_torsion_offset_B(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef2) float ¶
get branching atom 2 torsion offset B coefficient (angle^1)
C++: protocols::branch_angle::BranchCoef2::b2_torsion_offset_B() const –> double
- b2_torsion_offset_C(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef2) float ¶
get branching atom 2 torsion offset C coefficient (angle^2)
C++: protocols::branch_angle::BranchCoef2::b2_torsion_offset_C() const –> double
- evaluate(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef2, m2_bond_angle: float, b1_torsion_offset: float, b1_bond_angle: float, b2_torsion_offset: float, b2_bond_angle: float) None ¶
calculate single branching angles for a main chain bond angle
C++: protocols::branch_angle::BranchCoef2::evaluate(const double, double &, double &, double &, double &) const –> void
- overall_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get overall Ktheta parameter
C++: protocols::branch_angle::BranchCoef1::overall_Ktheta() const –> double
- overall_energy0(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get overall energy0 parameter
C++: protocols::branch_angle::BranchCoef1::overall_energy0() const –> double
- overall_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchCoef1) float ¶
get overall theta0 parameter
C++: protocols::branch_angle::BranchCoef1::overall_theta0() const –> double
- class pyrosetta.rosetta.protocols.branch_angle.BranchParam1¶
Bases:
pybind11_object
a class to store bond angle energy parameters around a single atom atom with three bonded neighbors
- m1_b1_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get Ktheta for mainchain atom 1 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_b1_Ktheta() const –> double
- m1_b1_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get theta0 for mainchain atom 1 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_b1_theta0() const –> double
- m1_m2_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get Ktheta for mainchain atom 1 - mainchain atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_m2_Ktheta() const –> double
- m1_m2_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get theta0 for mainchain atom 1 - mainchain atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_m2_theta0() const –> double
- m2_b1_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get Ktheta for mainchain atom 2 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m2_b1_Ktheta() const –> double
- m2_b1_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get theta0 for mainchain atom 2 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m2_b1_theta0() const –> double
- class pyrosetta.rosetta.protocols.branch_angle.BranchParam2¶
Bases:
BranchParam1
a class to store bond angle energy parameters around a single atom atom with four bonded neighbors
- b1_b2_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam2) float ¶
get Ktheta for branching atom 1 - branching atom 2 angle
C++: protocols::branch_angle::BranchParam2::b1_b2_Ktheta() const –> double
- b1_b2_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam2) float ¶
get theta0 for branching atom 1 - branching atom 2 angle
C++: protocols::branch_angle::BranchParam2::b1_b2_theta0() const –> double
- m1_b1_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get Ktheta for mainchain atom 1 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_b1_Ktheta() const –> double
- m1_b1_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get theta0 for mainchain atom 1 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_b1_theta0() const –> double
- m1_b2_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam2) float ¶
get Ktheta for mainchain atom 1 - branching atom 2 angle
C++: protocols::branch_angle::BranchParam2::m1_b2_Ktheta() const –> double
- m1_b2_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam2) float ¶
get theta0 for mainchain atom 1 - branching atom 2 angle
C++: protocols::branch_angle::BranchParam2::m1_b2_theta0() const –> double
- m1_m2_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get Ktheta for mainchain atom 1 - mainchain atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_m2_Ktheta() const –> double
- m1_m2_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get theta0 for mainchain atom 1 - mainchain atom 1 angle
C++: protocols::branch_angle::BranchParam1::m1_m2_theta0() const –> double
- m2_b1_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get Ktheta for mainchain atom 2 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m2_b1_Ktheta() const –> double
- m2_b1_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam1) float ¶
get theta0 for mainchain atom 2 - branching atom 1 angle
C++: protocols::branch_angle::BranchParam1::m2_b1_theta0() const –> double
- m2_b2_Ktheta(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam2) float ¶
get Ktheta for mainchain atom 2 - branching atom 2 angle
C++: protocols::branch_angle::BranchParam2::m2_b2_Ktheta() const –> double
- m2_b2_theta0(self: pyrosetta.rosetta.protocols.branch_angle.BranchParam2) float ¶
get theta0 for mainchain atom 2 - branching atom 2 angle
C++: protocols::branch_angle::BranchParam2::m2_b2_theta0() const –> double
- pyrosetta.rosetta.protocols.branch_angle.branching_atomid1(pose: pyrosetta.rosetta.core.pose.Pose, main_atomid1: pyrosetta.rosetta.core.id.AtomID, center_atomid: pyrosetta.rosetta.core.id.AtomID, main_atomid2: pyrosetta.rosetta.core.id.AtomID, branch_atomid1: pyrosetta.rosetta.core.id.AtomID) None ¶
get 1 branching atom
C++: protocols::branch_angle::branching_atomid1(const class core::pose::Pose &, class core::id::AtomID, class core::id::AtomID, class core::id::AtomID, class core::id::AtomID &) –> void
- pyrosetta.rosetta.protocols.branch_angle.branching_atomids2(pose: pyrosetta.rosetta.core.pose.Pose, main_atomid1: pyrosetta.rosetta.core.id.AtomID, center_atomid: pyrosetta.rosetta.core.id.AtomID, main_atomid2: pyrosetta.rosetta.core.id.AtomID, branch_atomid1: pyrosetta.rosetta.core.id.AtomID, branch_atomid2: pyrosetta.rosetta.core.id.AtomID) None ¶
get 2 branching atoms ordered according their torsion offsets
C++: protocols::branch_angle::branching_atomids2(const class core::pose::Pose &, class core::id::AtomID, class core::id::AtomID, class core::id::AtomID, class core::id::AtomID &, class core::id::AtomID &) –> void
- pyrosetta.rosetta.protocols.branch_angle.get_branching_atoms2(main_atom2: pyrosetta.rosetta.core.kinematics.tree.Atom, branch_atom1: pyrosetta.rosetta.core.kinematics.tree.Atom, branch_atom2: pyrosetta.rosetta.core.kinematics.tree.Atom) None ¶
get 2 siblings of an atom ordered according their torsion offsets
C++: protocols::branch_angle::get_branching_atoms2(const class std::shared_ptr<const class core::kinematics::tree::Atom>, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &) –> void