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- MinimizeInterface(...) method of builtins.PyCapsule instance
- MinimizeInterface(*args, **kwargs)
Overloaded function.
1. MinimizeInterface(pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, min_bb : rosetta.utility.vector1_bool, min_sc : rosetta.utility.vector1_bool, min_rb : rosetta.utility.vector1_bool, optimize_foldtree : bool, target_residues : rosetta.utility.vector1_unsigned_long) -> NoneType
utility function for minimizing sidechain in rigid-body dof, the interface sc, and bb in the entire protein.
2. MinimizeInterface(pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, min_bb : rosetta.utility.vector1_bool, min_sc : rosetta.utility.vector1_bool, min_rb : rosetta.utility.vector1_bool, optimize_foldtree : bool, target_residues : rosetta.utility.vector1_unsigned_long, simultaneous_minimization : bool) -> NoneType
utility function for minimizing sidechain in rigid-body dof, the interface sc, and bb in the entire protein.
- SymMinimizeInterface(...) method of builtins.PyCapsule instance
- SymMinimizeInterface(*args, **kwargs)
Overloaded function.
1. SymMinimizeInterface(pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, min_bb : rosetta.utility.vector1_bool, min_sc : rosetta.utility.vector1_bool, min_rb : rosetta.utility.vector1_bool) -> NoneType
2. SymMinimizeInterface(pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, min_bb : rosetta.utility.vector1_bool, min_sc : rosetta.utility.vector1_bool, min_rb : rosetta.utility.vector1_bool, simultaneous_minimization : bool) -> NoneType
- best_bbcst_residues(...) method of builtins.PyCapsule instance
- best_bbcst_residues(pose : rosetta.core.pose.Pose, chain : int, n_return : int) -> rosetta.utility.vector1_unsigned_long
evaluate backbone_stub_constraints for each residue in a chain and return a vector with the top n_return residue numbers by cst score
note that this function is NOT guaranteed to return n_return residues! It will return the best n<=n_return
- best_cutpoint(...) method of builtins.PyCapsule instance
- best_cutpoint(pose : rosetta.core.pose.Pose, prev_u : int, prev_d : int, u : int, d : int) -> int
utility function for stub_based_atom_tree. tries to find an optimal cutpoint in a pose given two different boundaries.
- find_lowest_constraint_energy_residue(...) method of builtins.PyCapsule instance
- find_lowest_constraint_energy_residue(pose : rosetta.core.pose.Pose, chain : int, resi : int, lowest_energy : float) -> NoneType
- find_nearest_residue(...) method of builtins.PyCapsule instance
- find_nearest_residue(*args, **kwargs)
Overloaded function.
1. find_nearest_residue(pose : rosetta.core.pose.Pose, target_chain : int, res : int) -> int
find nearest residue on target_chain to res
2. find_nearest_residue(pose : rosetta.core.pose.Pose, target_chain : int, res : int, atom : str) -> int
find nearest residue on target_chain to res
- get_bbcsts(...) method of builtins.PyCapsule instance
- get_bbcsts(pose : rosetta.core.pose.Pose) -> rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t
- hbonded(...) method of builtins.PyCapsule instance
- hbonded(*args, **kwargs)
Overloaded function.
1. hbonded(pose : rosetta.core.pose.Pose, target_residue : int, binders : rosetta.std.set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t, bb : bool, sc : bool, energy_thres : float) -> rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t
utility function for finding hbonding partners among a list of potential binder residues to a specific target
2. hbonded(pose : rosetta.core.pose.Pose, target_residue : int, binders : rosetta.std.set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t, bb : bool, sc : bool, energy_thres : float, bb_bb : bool) -> rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t
utility function for finding hbonding partners among a list of potential binder residues to a specific target
3. hbonded(pose : rosetta.core.pose.Pose, target_residue : int, binders : rosetta.std.set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t, bb : bool, sc : bool, energy_thres : float, bb_bb : bool, sfxn : rosetta.core.scoring.ScoreFunction) -> rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t
utility function for finding hbonding partners among a list of potential binder residues to a specific target
- hbonded_atom(...) method of builtins.PyCapsule instance
- hbonded_atom(*args, **kwargs)
Overloaded function.
1. hbonded_atom(pose : rosetta.core.pose.Pose, target_residue : int, target_atom : str, binders : rosetta.std.set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t, bb : bool, sc : bool, energy_thres : float) -> rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t
utility function for finding hbonding partners among a list of potential binder residues to a specific target
2. hbonded_atom(pose : rosetta.core.pose.Pose, target_residue : int, target_atom : str, binders : rosetta.std.set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t, bb : bool, sc : bool, energy_thres : float, bb_bb : bool) -> rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t
utility function for finding hbonding partners among a list of potential binder residues to a specific target
3. hbonded_atom(pose : rosetta.core.pose.Pose, target_residue : int, target_atom : str, binders : rosetta.std.set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t, bb : bool, sc : bool, energy_thres : float, bb_bb : bool, sfxn : rosetta.core.scoring.ScoreFunction) -> rosetta.std.list_unsigned_long_std_allocator_unsigned_long_t
utility function for finding hbonding partners among a list of potential binder residues to a specific target
- make_hotspot_foldtree(...) method of builtins.PyCapsule instance
- make_hotspot_foldtree(pose : rosetta.core.pose.Pose) -> rosetta.core.kinematics.FoldTree
- optimal_connection_point(...) method of builtins.PyCapsule instance
- optimal_connection_point(residue_type : str) -> str
what is the optimal connection point for an atom tree, given a residue type (puts the connection point
at the beginning of a functional group
- remove_coordinate_constraints_from_pose(...) method of builtins.PyCapsule instance
- remove_coordinate_constraints_from_pose(pose : rosetta.core.pose.Pose) -> rosetta.utility.vector1_std_shared_ptr_const_core_scoring_constraints_Constraint_t
removes ALL coordinate constraints from a pose. returns the constraints that were removed
- star_fold_tree(...) method of builtins.PyCapsule instance
- star_fold_tree(pose : rosetta.core.pose.Pose) -> rosetta.core.kinematics.FoldTree
- sum_total_residue_energy(...) method of builtins.PyCapsule instance
- sum_total_residue_energy(pose : rosetta.core.pose.Pose, resid : int) -> float
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