rosetta.protocols.toolbox
index
(built-in)

Bindings for protocols::toolbox namespace

 
Modules
       
rosetta.protocols.toolbox.match_enzdes_util
rosetta.protocols.toolbox.pose_manipulation
rosetta.protocols.toolbox.pose_metric_calculators
rosetta.protocols.toolbox.rigid_body
rosetta.protocols.toolbox.rotamer_set_operations
rosetta.protocols.toolbox.sample_around
rosetta.protocols.toolbox.task_operations

 
Classes
       
builtins.object
AtomID_Mapper
AtomLevelDomainMap
CalcInterNeighborGroup
ClusterBase
ClusterPhilStyle
ClusterOptions
DecoySetEvaluation
DummyClass
EnergyLandscapeEvaluator
MulliganPNearEvaluator
RotamerBoltzmannWeightEvaluator
InteratomicVarianceMatrix
KCluster
GreedyKCenter
KMedoid
KClusterData
KClusterElement
Node
ResidueNetwork
CovalentResidueNetwork
DistanceResidueNetwork
SF_Replica
ScoreRmsPoint
rosetta.core.pack.task.IGEdgeReweighter(builtins.object)
IGLigandDesignEdgeUpweighter
ResidueGroupIGEdgeUpweighter
rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint(builtins.object)
ScoreRmsPoints

 
class AtomID_Mapper(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.AtomID_Mapper, rosetta.core.pose.Pose) -> NoneType
 
doc
 
2. __init__(self : rosetta.protocols.toolbox.AtomID_Mapper, pose : rosetta.core.pose.Pose, map_to_vanilla_pose : bool) -> NoneType
 
3. __init__(self : rosetta.protocols.toolbox.AtomID_Mapper, src : rosetta.protocols.toolbox.AtomID_Mapper) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.AtomID_Mapper,  : rosetta.protocols.toolbox.AtomID_Mapper) -> rosetta.protocols.toolbox.AtomID_Mapper
atom_ids_in_res(...) from builtins.PyCapsule
atom_ids_in_res(self : rosetta.protocols.toolbox.AtomID_Mapper, n : int) -> rosetta.utility.vector1_core_id_AtomID
calculate_atom_id_map(...) from builtins.PyCapsule
calculate_atom_id_map(*args, **kwargs)
Overloaded function.
 
1. calculate_atom_id_map(self : rosetta.protocols.toolbox.AtomID_Mapper, target_pose : rosetta.core.pose.Pose, res_map : rosetta.std.map_unsigned_long_unsigned_long, source_fold_tree : rosetta.core.kinematics.FoldTree) -> rosetta.std.map_core_id_AtomID_core_id_AtomID
 
2. calculate_atom_id_map(self : rosetta.protocols.toolbox.AtomID_Mapper, target_pose : rosetta.core.pose.Pose, res_map : rosetta.std.map_unsigned_long_unsigned_long, source_fold_tree : rosetta.core.kinematics.FoldTree, source_mapper_to_vanilla : rosetta.protocols.toolbox.AtomID_Mapper) -> rosetta.std.map_core_id_AtomID_core_id_AtomID
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.toolbox.AtomID_Mapper) -> rosetta.protocols.toolbox.AtomID_Mapper
has_atom_id(...) from builtins.PyCapsule
has_atom_id(self : rosetta.protocols.toolbox.AtomID_Mapper, atom_id : rosetta.core.id.AtomID) -> bool
map_from_reference(...) from builtins.PyCapsule
map_from_reference(self : rosetta.protocols.toolbox.AtomID_Mapper, atom_id : rosetta.core.id.AtomID) -> rosetta.core.id.AtomID
map_to_reference(...) from builtins.PyCapsule
map_to_reference(self : rosetta.protocols.toolbox.AtomID_Mapper, atom_id : rosetta.core.id.AtomID) -> rosetta.core.id.AtomID
nres(...) from builtins.PyCapsule
nres(rosetta.protocols.toolbox.AtomID_Mapper) -> int
renumber_after_variant_changes(...) from builtins.PyCapsule
renumber_after_variant_changes(self : rosetta.protocols.toolbox.AtomID_Mapper, pose : rosetta.core.pose.Pose) -> NoneType

 
class AtomLevelDomainMap(builtins.object)
    ///////////////////////////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle, rosetta.core.pose.Pose) -> NoneType
 
doc
 
2. __init__(handle, rosetta.core.pose.Pose, bool) -> NoneType
 
doc
 
3. __init__(self : handle, pose : rosetta.core.pose.Pose, map_to_vanilla_pose : bool, allow_insert_res : rosetta.utility.vector1_unsigned_long) -> NoneType
 
4. __init__(handle, rosetta.protocols.toolbox.AtomLevelDomainMap) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.AtomLevelDomainMap,  : rosetta.protocols.toolbox.AtomLevelDomainMap) -> rosetta.protocols.toolbox.AtomLevelDomainMap
atom_id_mapper(...) from builtins.PyCapsule
atom_id_mapper(rosetta.protocols.toolbox.AtomLevelDomainMap) -> protocols::toolbox::AtomID_Mapper
calculate_atom_id_domain_map(...) from builtins.PyCapsule
calculate_atom_id_domain_map(self : rosetta.protocols.toolbox.AtomLevelDomainMap, pose : rosetta.core.pose.Pose) -> rosetta.std.map_core_id_AtomID_unsigned_long
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.toolbox.AtomLevelDomainMap) -> rosetta.protocols.toolbox.AtomLevelDomainMap
disallow_movement_of_input_res(...) from builtins.PyCapsule
disallow_movement_of_input_res(self : rosetta.protocols.toolbox.AtomLevelDomainMap, pose : rosetta.core.pose.Pose) -> NoneType
get(...) from builtins.PyCapsule
get(*args, **kwargs)
Overloaded function.
 
1. get(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int) -> bool
 
2. get(self : rosetta.protocols.toolbox.AtomLevelDomainMap, atom_id : rosetta.core.id.AtomID) -> bool
 
3. get(self : rosetta.protocols.toolbox.AtomLevelDomainMap, torsion_id : rosetta.core.id.TorsionID, conformation : rosetta.core.conformation.Conformation) -> bool
get_domain(...) from builtins.PyCapsule
get_domain(*args, **kwargs)
Overloaded function.
 
1. get_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int) -> int
 
2. get_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, atom_id : rosetta.core.id.AtomID) -> int
 
3. get_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, named_atom_id : rosetta.core.id.NamedAtomID, pose : rosetta.core.pose.Pose) -> int
get_jump(...) from builtins.PyCapsule
get_jump(self : rosetta.protocols.toolbox.AtomLevelDomainMap, jump_number : int, conformation : rosetta.core.conformation.Conformation) -> bool
has_domain(...) from builtins.PyCapsule
has_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, atom_id : rosetta.core.id.AtomID) -> bool
renumber_after_variant_changes(...) from builtins.PyCapsule
renumber_after_variant_changes(self : rosetta.protocols.toolbox.AtomLevelDomainMap, pose : rosetta.core.pose.Pose) -> NoneType
set(...) from builtins.PyCapsule
set(*args, **kwargs)
Overloaded function.
 
1. set(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int, setting : bool) -> NoneType
 
2. set(self : rosetta.protocols.toolbox.AtomLevelDomainMap, named_atom_id : rosetta.core.id.NamedAtomID, pose : rosetta.core.pose.Pose, setting : bool) -> NoneType
 
3. set(self : rosetta.protocols.toolbox.AtomLevelDomainMap, atom_id : rosetta.core.id.AtomID, setting : bool) -> NoneType
 
4. set(self : rosetta.protocols.toolbox.AtomLevelDomainMap, setting : bool) -> NoneType
set_domain(...) from builtins.PyCapsule
set_domain(*args, **kwargs)
Overloaded function.
 
1. set_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int, setting : int) -> NoneType
 
2. set_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, atom_id : rosetta.core.id.AtomID, setting : int) -> NoneType
 
3. set_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, atom_id : rosetta.core.id.NamedAtomID, pose : rosetta.core.pose.Pose, setting : int) -> NoneType
 
4. set_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, setting : int) -> NoneType
set_fixed_if_moving(...) from builtins.PyCapsule
set_fixed_if_moving(*args, **kwargs)
Overloaded function.
 
1. set_fixed_if_moving(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int) -> NoneType
 
2. set_fixed_if_moving(self : rosetta.protocols.toolbox.AtomLevelDomainMap, atom_id : rosetta.core.id.AtomID) -> NoneType
set_phosphate(...) from builtins.PyCapsule
set_phosphate(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int, pose : rosetta.core.pose.Pose, setting : bool) -> NoneType
set_phosphate_domain(...) from builtins.PyCapsule
set_phosphate_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int, pose : rosetta.core.pose.Pose, setting : int) -> NoneType
set_sugar(...) from builtins.PyCapsule
set_sugar(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int, pose : rosetta.core.pose.Pose, setting : bool) -> NoneType
set_sugar_domain(...) from builtins.PyCapsule
set_sugar_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, i : int, pose : rosetta.core.pose.Pose, setting : int) -> NoneType
setup_movemap(...) from builtins.PyCapsule
setup_movemap(self : rosetta.protocols.toolbox.AtomLevelDomainMap, mm : rosetta.core.kinematics.MoveMap, pose : rosetta.core.pose.Pose) -> NoneType
update_to_move_chunks_with_domain(...) from builtins.PyCapsule
update_to_move_chunks_with_domain(self : rosetta.protocols.toolbox.AtomLevelDomainMap, domain : int) -> NoneType

 
class CalcInterNeighborGroup(builtins.object)
    This is complicated, so pay attention.  You define groups of residues within a protein (say, the N and C terminal domains).  You then define which pairs of groups you are interested in.  This calculator returns the union of the sets of residues at the interfaces between these domains/groups.  Functionally it is intended for "interface design" at the non-chainbreak interface between domains of multidomain proteins.  It contains a superset of the functionality of some of the other calculators (so I'll be obsoleting them, maybe?).  The pose does NOT have to have been scored.
 
"groups" string returns the input groups; of type utility::vector1< std::pair< std::set< core::Size >, std::set< core::Size > > >  (not a calculated value)
 
"dist_cutoff" returns the input cutoff distance for neighbor finding (not a calculated value)
 
"neighbors" returns a std::set<core::Size> of the neighbors calculated between the group pairs.
 
"num_neighbors" returns the size of the neighbors set.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.CalcInterNeighborGroup) -> NoneType
 
2. __init__(rosetta.protocols.toolbox.CalcInterNeighborGroup, rosetta.utility.vector1_std_pair_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t) -> NoneType
 
doc
 
3. __init__(self : rosetta.protocols.toolbox.CalcInterNeighborGroup, groups : rosetta.utility.vector1_std_pair_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t, dist_cutoff : float) -> NoneType
 
4. __init__(self : rosetta.protocols.toolbox.CalcInterNeighborGroup, calculator : rosetta.protocols.toolbox.CalcInterNeighborGroup) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.CalcInterNeighborGroup,  : rosetta.protocols.toolbox.CalcInterNeighborGroup) -> rosetta.protocols.toolbox.CalcInterNeighborGroup
compute(...) from builtins.PyCapsule
compute(self : rosetta.protocols.toolbox.CalcInterNeighborGroup, pose : rosetta.core.pose.Pose) -> NoneType
dist_cutoff(...) from builtins.PyCapsule
dist_cutoff(*args, **kwargs)
Overloaded function.
 
1. dist_cutoff(self : rosetta.protocols.toolbox.CalcInterNeighborGroup, cutoff : float) -> NoneType
 
2. dist_cutoff(rosetta.protocols.toolbox.CalcInterNeighborGroup) -> float
 
return distance cutoff
groups(...) from builtins.PyCapsule
groups(*args, **kwargs)
Overloaded function.
 
1. groups(rosetta.protocols.toolbox.CalcInterNeighborGroup) -> rosetta.utility.vector1_std_pair_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t
 
2. groups(self : rosetta.protocols.toolbox.CalcInterNeighborGroup, groups : rosetta.utility.vector1_std_pair_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_std_set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t) -> NoneType
neighbors(...) from builtins.PyCapsule
neighbors(rosetta.protocols.toolbox.CalcInterNeighborGroup) -> rosetta.std.set_unsigned_long_std_less_unsigned_long_std_allocator_unsigned_long_t
num_neighbors(...) from builtins.PyCapsule
num_neighbors(rosetta.protocols.toolbox.CalcInterNeighborGroup) -> float

 
class ClusterBase(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.protocols.toolbox.ClusterBase, dim : int) -> NoneType
 
2. __init__(self : rosetta.protocols.toolbox.ClusterBase,  : rosetta.protocols.toolbox.ClusterBase) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.protocols.toolbox.ClusterBase) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.ClusterBase,  : rosetta.protocols.toolbox.ClusterBase) -> rosetta.protocols.toolbox.ClusterBase
cluster(...) from builtins.PyCapsule
cluster(self : rosetta.protocols.toolbox.ClusterBase, i : int) -> rosetta.std.deque_unsigned_long_std_allocator_unsigned_long_t
clusterlist(...) from builtins.PyCapsule
clusterlist(rosetta.protocols.toolbox.ClusterBase) -> rosetta.utility.vector1_std_deque_unsigned_long_std_allocator_unsigned_long_t
dim(...) from builtins.PyCapsule
dim(rosetta.protocols.toolbox.ClusterBase) -> int
dist(...) from builtins.PyCapsule
dist(*args, **kwargs)
Overloaded function.
 
1. dist(self : rosetta.protocols.toolbox.ClusterBase, i : int, j : int) -> float
 
2. dist(self : rosetta.protocols.toolbox.ClusterBase, i : int, j : int) -> float
distance_matrix(...) from builtins.PyCapsule
distance_matrix(*args, **kwargs)
Overloaded function.
 
1. distance_matrix(rosetta.protocols.toolbox.ClusterBase) -> ObjexxFCL::FArray2D<double>
 
2. distance_matrix(rosetta.protocols.toolbox.ClusterBase) -> ObjexxFCL::FArray2D<double>
limit_groupsize(...) from builtins.PyCapsule
limit_groupsize(self : rosetta.protocols.toolbox.ClusterBase, limit : int) -> NoneType
print_summary(...) from builtins.PyCapsule
print_summary(self : rosetta.protocols.toolbox.ClusterBase, tags : rosetta.utility.vector1_std_string, all_energies : rosetta.utility.vector1_double) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.protocols.toolbox.ClusterBase) -> int
sort_each_group_by_energy(...) from builtins.PyCapsule
sort_each_group_by_energy(*args, **kwargs)
Overloaded function.
 
1. sort_each_group_by_energy(self : rosetta.protocols.toolbox.ClusterBase, all_energies : rosetta.utility.vector1_double) -> NoneType
 
2. sort_each_group_by_energy(self : rosetta.protocols.toolbox.ClusterBase, all_energies : rosetta.utility.vector1_double, keep_center : bool) -> NoneType

 
class ClusterOptions(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.ClusterOptions) -> NoneType
 
doc
 
2. __init__(self : rosetta.protocols.toolbox.ClusterOptions, assign_new_cluster_tag : bool) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.

Data descriptors defined here:
assign_new_cluster_tag
cluster_radius
keep_center
limit_cluster_size

 
class ClusterPhilStyle(ClusterBase)
    
Method resolution order:
ClusterPhilStyle
ClusterBase
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.ClusterPhilStyle, int) -> NoneType
 
doc
 
2. __init__(self : rosetta.protocols.toolbox.ClusterPhilStyle, dim : int, rad : float) -> NoneType
 
3. __init__(self : rosetta.protocols.toolbox.ClusterPhilStyle,  : rosetta.protocols.toolbox.ClusterPhilStyle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.ClusterPhilStyle,  : rosetta.protocols.toolbox.ClusterPhilStyle) -> rosetta.protocols.toolbox.ClusterPhilStyle
compute(...) from builtins.PyCapsule
compute(rosetta.protocols.toolbox.ClusterPhilStyle) -> NoneType
do_clustering(...) from builtins.PyCapsule
do_clustering(rosetta.protocols.toolbox.ClusterPhilStyle) -> NoneType
set_n_max_cluster(...) from builtins.PyCapsule
set_n_max_cluster(self : rosetta.protocols.toolbox.ClusterPhilStyle, setting : int) -> NoneType
set_radius(...) from builtins.PyCapsule
set_radius(self : rosetta.protocols.toolbox.ClusterPhilStyle, setting : float) -> NoneType

Methods inherited from ClusterBase:
__str__(...) from builtins.PyCapsule
__str__(rosetta.protocols.toolbox.ClusterBase) -> str
cluster(...) from builtins.PyCapsule
cluster(self : rosetta.protocols.toolbox.ClusterBase, i : int) -> rosetta.std.deque_unsigned_long_std_allocator_unsigned_long_t
clusterlist(...) from builtins.PyCapsule
clusterlist(rosetta.protocols.toolbox.ClusterBase) -> rosetta.utility.vector1_std_deque_unsigned_long_std_allocator_unsigned_long_t
dim(...) from builtins.PyCapsule
dim(rosetta.protocols.toolbox.ClusterBase) -> int
dist(...) from builtins.PyCapsule
dist(*args, **kwargs)
Overloaded function.
 
1. dist(self : rosetta.protocols.toolbox.ClusterBase, i : int, j : int) -> float
 
2. dist(self : rosetta.protocols.toolbox.ClusterBase, i : int, j : int) -> float
distance_matrix(...) from builtins.PyCapsule
distance_matrix(*args, **kwargs)
Overloaded function.
 
1. distance_matrix(rosetta.protocols.toolbox.ClusterBase) -> ObjexxFCL::FArray2D<double>
 
2. distance_matrix(rosetta.protocols.toolbox.ClusterBase) -> ObjexxFCL::FArray2D<double>
limit_groupsize(...) from builtins.PyCapsule
limit_groupsize(self : rosetta.protocols.toolbox.ClusterBase, limit : int) -> NoneType
print_summary(...) from builtins.PyCapsule
print_summary(self : rosetta.protocols.toolbox.ClusterBase, tags : rosetta.utility.vector1_std_string, all_energies : rosetta.utility.vector1_double) -> NoneType
size(...) from builtins.PyCapsule
size(rosetta.protocols.toolbox.ClusterBase) -> int
sort_each_group_by_energy(...) from builtins.PyCapsule
sort_each_group_by_energy(*args, **kwargs)
Overloaded function.
 
1. sort_each_group_by_energy(self : rosetta.protocols.toolbox.ClusterBase, all_energies : rosetta.utility.vector1_double) -> NoneType
 
2. sort_each_group_by_energy(self : rosetta.protocols.toolbox.ClusterBase, all_energies : rosetta.utility.vector1_double, keep_center : bool) -> NoneType

 
class CovalentResidueNetwork(ResidueNetwork)
    Creates networks based on covalent connections between residues
 
 
Method resolution order:
CovalentResidueNetwork
ResidueNetwork
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.CovalentResidueNetwork,  : rosetta.protocols.toolbox.CovalentResidueNetwork) -> rosetta.protocols.toolbox.CovalentResidueNetwork
generate_edges(...) from builtins.PyCapsule
generate_edges(self : rosetta.protocols.toolbox.CovalentResidueNetwork, pose : rosetta.core.pose.Pose) -> NoneType

Methods inherited from ResidueNetwork:
average_shortest_path_length(...) from builtins.PyCapsule
average_shortest_path_length(rosetta.protocols.toolbox.ResidueNetwork) -> float
 
calculates the average shortest path length of the network
clear_edges(...) from builtins.PyCapsule
clear_edges(rosetta.protocols.toolbox.ResidueNetwork) -> NoneType
 
empties edges
connectivity_index(...) from builtins.PyCapsule
connectivity_index(self : rosetta.protocols.toolbox.ResidueNetwork, resi : int) -> float
 
calculates the connectivity index of residue resi in the context of the network
create_from_pose(...) from builtins.PyCapsule
create_from_pose(self : rosetta.protocols.toolbox.ResidueNetwork, pose : rosetta.core.pose.Pose) -> NoneType
 
create a network from a pose
dijkstras(...) from builtins.PyCapsule
dijkstras(self : rosetta.protocols.toolbox.ResidueNetwork, resi : int) -> NoneType
 
run Dijkstra's shortest path algorithm on the given list of nodes
 after execution, the "distanceFromStart" variable of each node will contain the distance from residue resi
nodes(...) from builtins.PyCapsule
nodes(rosetta.protocols.toolbox.ResidueNetwork) -> rosetta.std.list_std_shared_ptr_protocols_toolbox_Node_std_allocator_std_shared_ptr_protocols_toolbox_Node_t

 
class DecoySetEvaluation(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.DecoySetEvaluation) -> NoneType
 
2. __init__(self : rosetta.protocols.toolbox.DecoySetEvaluation,  : rosetta.protocols.toolbox.DecoySetEvaluation) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
all_energies(...) from builtins.PyCapsule
all_energies(rosetta.protocols.toolbox.DecoySetEvaluation) -> rosetta.utility.vector1_double
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.DecoySetEvaluation,  : rosetta.protocols.toolbox.DecoySetEvaluation) -> rosetta.protocols.toolbox.DecoySetEvaluation
center_all(...) from builtins.PyCapsule
center_all(self : rosetta.protocols.toolbox.DecoySetEvaluation, weights : ObjexxFCL::FArray1<double>) -> NoneType
center_structure(...) from builtins.PyCapsule
center_structure(*args, **kwargs)
Overloaded function.
 
1. center_structure(self : rosetta.protocols.toolbox.DecoySetEvaluation, i : int) -> NoneType
 
2. center_structure(self : rosetta.protocols.toolbox.DecoySetEvaluation, i : int, weights : ObjexxFCL::FArray1<double>) -> NoneType
clear(...) from builtins.PyCapsule
clear(rosetta.protocols.toolbox.DecoySetEvaluation) -> NoneType
compute_average_structure(...) from builtins.PyCapsule
compute_average_structure(self : rosetta.protocols.toolbox.DecoySetEvaluation, average_structure : rosetta.ObjexxFCL.FArray2_double_t) -> NoneType
compute_distance_matrix(...) from builtins.PyCapsule
compute_distance_matrix(self : rosetta.protocols.toolbox.DecoySetEvaluation,  : ObjexxFCL::FArray2D<double>) -> NoneType
coords(...) from builtins.PyCapsule
coords(*args, **kwargs)
Overloaded function.
 
1. coords(rosetta.protocols.toolbox.DecoySetEvaluation) -> ObjexxFCL::FArray3D<double>
 
2. coords(self : rosetta.protocols.toolbox.DecoySetEvaluation, i : int) -> ObjexxFCL::FArray2P<double>
create_dist_constraints(...) from builtins.PyCapsule
create_dist_constraints(self : rosetta.protocols.toolbox.DecoySetEvaluation, cst_set : rosetta.core.scoring.constraints.ConstraintSet) -> NoneType
create_dist_constraints_median(...) from builtins.PyCapsule
create_dist_constraints_median(self : rosetta.protocols.toolbox.DecoySetEvaluation, cst_set : rosetta.core.scoring.constraints.ConstraintSet) -> NoneType
create_xyz_constraints_median(...) from builtins.PyCapsule
create_xyz_constraints_median(self : rosetta.protocols.toolbox.DecoySetEvaluation, cst_set : rosetta.core.scoring.constraints.ConstraintSet, ref_pose : rosetta.core.pose.Pose, root : int) -> NoneType
find_closest_to_average(...) from builtins.PyCapsule
find_closest_to_average(self : rosetta.protocols.toolbox.DecoySetEvaluation, average_structure : rosetta.ObjexxFCL.FArray2_double_t) -> int
n_atoms(...) from builtins.PyCapsule
n_atoms(rosetta.protocols.toolbox.DecoySetEvaluation) -> int
n_decoys(...) from builtins.PyCapsule
n_decoys(rosetta.protocols.toolbox.DecoySetEvaluation) -> int
n_decoys_max(...) from builtins.PyCapsule
n_decoys_max(rosetta.protocols.toolbox.DecoySetEvaluation) -> int
pop_back_CA_xyz(...) from builtins.PyCapsule
pop_back_CA_xyz(rosetta.protocols.toolbox.DecoySetEvaluation) -> NoneType
push_back(...) from builtins.PyCapsule
push_back(self : rosetta.protocols.toolbox.DecoySetEvaluation, pose : rosetta.core.pose.Pose) -> NoneType
push_back_CA_xyz(...) from builtins.PyCapsule
push_back_CA_xyz(self : rosetta.protocols.toolbox.DecoySetEvaluation,  : rosetta.ObjexxFCL.FArray2_double_t, nres : int) -> NoneType
push_back_CA_xyz_from_silent_file(...) from builtins.PyCapsule
push_back_CA_xyz_from_silent_file(self : rosetta.protocols.toolbox.DecoySetEvaluation, sfd : rosetta.core.io.silent.SilentFileData, store_energies : bool) -> NoneType
ref_pose(...) from builtins.PyCapsule
ref_pose(rosetta.protocols.toolbox.DecoySetEvaluation) -> rosetta.core.pose.Pose
register_options(...) from builtins.PyCapsule
register_options() -> NoneType
reserve(...) from builtins.PyCapsule
reserve(self : rosetta.protocols.toolbox.DecoySetEvaluation, n_decoys_ : int) -> NoneType
rmsd(...) from builtins.PyCapsule
rmsd(self : rosetta.protocols.toolbox.DecoySetEvaluation, weights : ObjexxFCL::FArray1<double>, xx_ref : rosetta.ObjexxFCL.FArray2_double_t, xx : rosetta.ObjexxFCL.FArray2_double_t) -> float
rmsf(...) from builtins.PyCapsule
rmsf(*args, **kwargs)
Overloaded function.
 
1. rmsf(self : rosetta.protocols.toolbox.DecoySetEvaluation, results : rosetta.utility.vector1_double) -> NoneType
 
2. rmsf(self : rosetta.protocols.toolbox.DecoySetEvaluation, result : ObjexxFCL::FArray1<double>) -> NoneType
set_all_energies(...) from builtins.PyCapsule
set_all_energies(self : rosetta.protocols.toolbox.DecoySetEvaluation, all_energies : rosetta.utility.vector1_double) -> NoneType
set_n_atom(...) from builtins.PyCapsule
set_n_atom(self : rosetta.protocols.toolbox.DecoySetEvaluation, natoms : int) -> NoneType
set_weights(...) from builtins.PyCapsule
set_weights(self : rosetta.protocols.toolbox.DecoySetEvaluation, weights : ObjexxFCL::FArray1<double>) -> NoneType
superimpose(...) from builtins.PyCapsule
superimpose(*args, **kwargs)
Overloaded function.
 
1. superimpose(rosetta.protocols.toolbox.DecoySetEvaluation) -> NoneType
 
2. superimpose(self : rosetta.protocols.toolbox.DecoySetEvaluation, icenter : int) -> NoneType
wRMSD(...) from builtins.PyCapsule
wRMSD(self : rosetta.protocols.toolbox.DecoySetEvaluation, sigma2 : float, tolerance : float, weights : ObjexxFCL::FArray1<double>) -> int

 
class DistanceResidueNetwork(ResidueNetwork)
    Creates networks based on residue proximity in space
 
 
Method resolution order:
DistanceResidueNetwork
ResidueNetwork
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.DistanceResidueNetwork,  : rosetta.protocols.toolbox.DistanceResidueNetwork) -> rosetta.protocols.toolbox.DistanceResidueNetwork
generate_edges(...) from builtins.PyCapsule
generate_edges(self : rosetta.protocols.toolbox.DistanceResidueNetwork, pose : rosetta.core.pose.Pose) -> NoneType

Methods inherited from ResidueNetwork:
average_shortest_path_length(...) from builtins.PyCapsule
average_shortest_path_length(rosetta.protocols.toolbox.ResidueNetwork) -> float
 
calculates the average shortest path length of the network
clear_edges(...) from builtins.PyCapsule
clear_edges(rosetta.protocols.toolbox.ResidueNetwork) -> NoneType
 
empties edges
connectivity_index(...) from builtins.PyCapsule
connectivity_index(self : rosetta.protocols.toolbox.ResidueNetwork, resi : int) -> float
 
calculates the connectivity index of residue resi in the context of the network
create_from_pose(...) from builtins.PyCapsule
create_from_pose(self : rosetta.protocols.toolbox.ResidueNetwork, pose : rosetta.core.pose.Pose) -> NoneType
 
create a network from a pose
dijkstras(...) from builtins.PyCapsule
dijkstras(self : rosetta.protocols.toolbox.ResidueNetwork, resi : int) -> NoneType
 
run Dijkstra's shortest path algorithm on the given list of nodes
 after execution, the "distanceFromStart" variable of each node will contain the distance from residue resi
nodes(...) from builtins.PyCapsule
nodes(rosetta.protocols.toolbox.ResidueNetwork) -> rosetta.std.list_std_shared_ptr_protocols_toolbox_Node_std_allocator_std_shared_ptr_protocols_toolbox_Node_t

 
class DummyClass(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle,  : int) -> NoneType
 
3. __init__(handle, rosetta.protocols.toolbox.DummyClass) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.DummyClass,  : rosetta.protocols.toolbox.DummyClass) -> rosetta.protocols.toolbox.DummyClass
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.toolbox.DummyClass) -> rosetta.protocols.toolbox.DummyClass
create(...) from builtins.PyCapsule
create() -> rosetta.protocols.toolbox.DummyClass
test(...) from builtins.PyCapsule
test(rosetta.protocols.toolbox.DummyClass) -> NoneType

 
class EnergyLandscapeEvaluator(builtins.object)
    Evaluates a set of score/rms points
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.protocols.toolbox.EnergyLandscapeEvaluator) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.EnergyLandscapeEvaluator,  : rosetta.protocols.toolbox.EnergyLandscapeEvaluator) -> rosetta.protocols.toolbox.EnergyLandscapeEvaluator
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.toolbox.EnergyLandscapeEvaluator) -> rosetta.protocols.toolbox.EnergyLandscapeEvaluator
compute(...) from builtins.PyCapsule
compute(self : rosetta.protocols.toolbox.EnergyLandscapeEvaluator, points : rosetta.protocols.toolbox.ScoreRmsPoints) -> float

 
class GreedyKCenter(KCluster)
    Greedy K-Center Clustering Algorithm
 
 
"A Fast Geometric Clustering Method on Conformation Space of Biomolecules"
Jian Sun, Yuan Yao, Xuhui Huang, Vijay Pande, Gunnar Carlsson, Leonidas J. Guibas
 
 
Method resolution order:
GreedyKCenter
KCluster
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(*args, **kwargs)
Overloaded function.
 
1. assign(self : rosetta.protocols.toolbox.GreedyKCenter,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> float
 
2. assign(self : rosetta.protocols.toolbox.GreedyKCenter,  : rosetta.protocols.toolbox.GreedyKCenter) -> rosetta.protocols.toolbox.GreedyKCenter
get_threshold(...) from builtins.PyCapsule
get_threshold(rosetta.protocols.toolbox.GreedyKCenter) -> float
init(...) from builtins.PyCapsule
init(*args, **kwargs)
Overloaded function.
 
1. init(self : rosetta.protocols.toolbox.GreedyKCenter,  : rosetta.protocols.toolbox.KClusterElement) -> NoneType
 
2. init(self : rosetta.protocols.toolbox.GreedyKCenter,  : rosetta.protocols.toolbox.KClusterElement, first : int) -> NoneType
set_threshold(...) from builtins.PyCapsule
set_threshold(self : rosetta.protocols.toolbox.GreedyKCenter,  : float) -> NoneType
update(...) from builtins.PyCapsule
update(self : rosetta.protocols.toolbox.GreedyKCenter,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> NoneType
whoami(...) from builtins.PyCapsule
whoami(rosetta.protocols.toolbox.GreedyKCenter) -> bool

Methods inherited from KCluster:
cluster(...) from builtins.PyCapsule
cluster(*args, **kwargs)
Overloaded function.
 
1. cluster(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> NoneType
 
2. cluster(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData, first : int) -> NoneType
set_ncluster(...) from builtins.PyCapsule
set_ncluster(self : rosetta.protocols.toolbox.KCluster, nc : int) -> NoneType

 
class IGLigandDesignEdgeUpweighter(rosetta.core.pack.task.IGEdgeReweighter)
    
Method resolution order:
IGLigandDesignEdgeUpweighter
rosetta.core.pack.task.IGEdgeReweighter
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, weight_factor : float) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
get_edge_reweight(...) from builtins.PyCapsule
get_edge_reweight(self : rosetta.protocols.toolbox.IGLigandDesignEdgeUpweighter, pose : rosetta.core.pose.Pose, task : rosetta.core.pack.task.PackerTask, res1 : int, res2 : int) -> float

 
class InteratomicVarianceMatrix(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix, n_atoms : int, ivm : ObjexxFCL::FArray2D<double>) -> NoneType
 
2. __init__(rosetta.protocols.toolbox.InteratomicVarianceMatrix) -> NoneType
 
doc
 
3. __init__(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix, n_atoms : int) -> NoneType
 
4. __init__(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix,  : rosetta.protocols.toolbox.InteratomicVarianceMatrix) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix,  : rosetta.protocols.toolbox.InteratomicVarianceMatrix) -> rosetta.protocols.toolbox.InteratomicVarianceMatrix
init(...) from builtins.PyCapsule
init(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix, n_atoms : int, n_decoys : int, coords : rosetta.ObjexxFCL.FArray3_double_t) -> NoneType
ivm(...) from builtins.PyCapsule
ivm(rosetta.protocols.toolbox.InteratomicVarianceMatrix) -> ObjexxFCL::FArray2D<double>
kurtosis(...) from builtins.PyCapsule
kurtosis(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix, T : ObjexxFCL::FArray1<double>) -> float
n_atoms(...) from builtins.PyCapsule
n_atoms(rosetta.protocols.toolbox.InteratomicVarianceMatrix) -> int
optimize_kurtosis(...) from builtins.PyCapsule
optimize_kurtosis(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix, ngrid : int, lb : float, ub : float) -> NoneType
order_parameter(...) from builtins.PyCapsule
order_parameter(self : rosetta.protocols.toolbox.InteratomicVarianceMatrix, epsilon : float, T : ObjexxFCL::FArray1<double>) -> NoneType

 
class KCluster(builtins.object)
    basic class for performing a K-style Clustering algorithm
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.KCluster) -> NoneType
 
2. __init__(rosetta.protocols.toolbox.KCluster, rosetta.protocols.toolbox.KCluster) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(*args, **kwargs)
Overloaded function.
 
1. assign(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> float
 
2. assign(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KCluster) -> rosetta.protocols.toolbox.KCluster
cluster(...) from builtins.PyCapsule
cluster(*args, **kwargs)
Overloaded function.
 
1. cluster(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> NoneType
 
2. cluster(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData, first : int) -> NoneType
get_threshold(...) from builtins.PyCapsule
get_threshold(rosetta.protocols.toolbox.KCluster) -> float
init(...) from builtins.PyCapsule
init(*args, **kwargs)
Overloaded function.
 
1. init(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement) -> NoneType
 
2. init(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement, first : int) -> NoneType
set_ncluster(...) from builtins.PyCapsule
set_ncluster(self : rosetta.protocols.toolbox.KCluster, nc : int) -> NoneType
set_threshold(...) from builtins.PyCapsule
set_threshold(self : rosetta.protocols.toolbox.KCluster,  : float) -> NoneType
update(...) from builtins.PyCapsule
update(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> NoneType
whoami(...) from builtins.PyCapsule
whoami(rosetta.protocols.toolbox.KCluster) -> bool

 
class KClusterData(builtins.object)
    database of a K-style Clustering algorithm
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.KClusterData) -> NoneType
 
2. __init__(self : rosetta.protocols.toolbox.KClusterData,  : rosetta.protocols.toolbox.KClusterData) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.KClusterData,  : rosetta.protocols.toolbox.KClusterData) -> rosetta.protocols.toolbox.KClusterData
coords(...) from builtins.PyCapsule
coords(rosetta.protocols.toolbox.KClusterData) -> ObjexxFCL::FArray3P<double>
dist_square(...) from builtins.PyCapsule
dist_square(*args, **kwargs)
Overloaded function.
 
1. dist_square(self : rosetta.protocols.toolbox.KClusterData,  : rosetta.ObjexxFCL.FArray2_double_t,  : rosetta.ObjexxFCL.FArray2_double_t) -> float
 
2. dist_square(self : rosetta.protocols.toolbox.KClusterData,  : int,  : int) -> float
get_natom(...) from builtins.PyCapsule
get_natom(rosetta.protocols.toolbox.KClusterData) -> int
get_ndata(...) from builtins.PyCapsule
get_ndata(rosetta.protocols.toolbox.KClusterData) -> int
get_tag(...) from builtins.PyCapsule
get_tag(self : rosetta.protocols.toolbox.KClusterData, i : int) -> str
load_silent_file(...) from builtins.PyCapsule
load_silent_file(self : rosetta.protocols.toolbox.KClusterData,  : str,  : int) -> NoneType
load_silent_files(...) from builtins.PyCapsule
load_silent_files(rosetta.protocols.toolbox.KClusterData) -> NoneType
mark_tags(...) from builtins.PyCapsule
mark_tags(self : rosetta.protocols.toolbox.KClusterData,  : rosetta.protocols.toolbox.KClusterElement,  : str) -> NoneType
save_all_in_one(...) from builtins.PyCapsule
save_all_in_one(rosetta.protocols.toolbox.KClusterData) -> NoneType
save_cluster_tree(...) from builtins.PyCapsule
save_cluster_tree(rosetta.protocols.toolbox.KClusterData) -> NoneType
show_cluster_assignments(...) from builtins.PyCapsule
show_cluster_assignments(rosetta.protocols.toolbox.KClusterData) -> NoneType
source_filename(...) from builtins.PyCapsule
source_filename(self : rosetta.protocols.toolbox.KClusterData, i : int) -> str

 
class KClusterElement(builtins.object)
    /////////////////////////////////////////////////////////////////////
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.KClusterElement) -> NoneType
 
2. __init__(self : rosetta.protocols.toolbox.KClusterElement, nd : int) -> NoneType
 
3. __init__(self : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterElement) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_new_cluster(...) from builtins.PyCapsule
add_new_cluster(self : rosetta.protocols.toolbox.KClusterElement, ndx_data : int) -> NoneType
 
add a new cluster center's data_ndx
add_new_data(...) from builtins.PyCapsule
add_new_data(self : rosetta.protocols.toolbox.KClusterElement, ndx_data : int) -> NoneType
 
add a new struture ndx to the data_ndx_
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterElement) -> rosetta.protocols.toolbox.KClusterElement
assign_type_data(...) from builtins.PyCapsule
assign_type_data(self : rosetta.protocols.toolbox.KClusterElement,  : int,  : int,  : float) -> NoneType
 
assign a data into a cluster
check(...) from builtins.PyCapsule
check(rosetta.protocols.toolbox.KClusterElement) -> NoneType
 
check the list, close edit mode
clear(...) from builtins.PyCapsule
clear(rosetta.protocols.toolbox.KClusterElement) -> NoneType
 
clean the subcluster's list, open edit mode
clear_data(...) from builtins.PyCapsule
clear_data(rosetta.protocols.toolbox.KClusterElement) -> NoneType
 
clean the data list
get_center_ndx(...) from builtins.PyCapsule
get_center_ndx(self : rosetta.protocols.toolbox.KClusterElement, ndx_cluster : int) -> int
 
return cluster center's data_ndx
get_cur_ncluster(...) from builtins.PyCapsule
get_cur_ncluster(rosetta.protocols.toolbox.KClusterElement) -> int
 
return current cluster number
get_data_ndx(...) from builtins.PyCapsule
get_data_ndx(self : rosetta.protocols.toolbox.KClusterElement, ndx_data : int) -> int
 
return current data number
get_distance(...) from builtins.PyCapsule
get_distance(self : rosetta.protocols.toolbox.KClusterElement, ndx_data : int) -> float
 
return distance between data and center
get_max_dist_ndx(...) from builtins.PyCapsule
get_max_dist_ndx(rosetta.protocols.toolbox.KClusterElement) -> int
get_max_distance(...) from builtins.PyCapsule
get_max_distance(rosetta.protocols.toolbox.KClusterElement) -> float
get_ndata(...) from builtins.PyCapsule
get_ndata(rosetta.protocols.toolbox.KClusterElement) -> int
 
return current data number
get_ndx_list(...) from builtins.PyCapsule
get_ndx_list(*args, **kwargs)
Overloaded function.
 
1. get_ndx_list(rosetta.protocols.toolbox.KClusterElement) -> rosetta.utility.vector1_unsigned_long
 
return the data ndx list of this cluster
 
2. get_ndx_list(self : rosetta.protocols.toolbox.KClusterElement, c : int) -> rosetta.utility.vector1_unsigned_long
 
return the ndx list of sub-cluster
get_subcluster(...) from builtins.PyCapsule
get_subcluster(self : rosetta.protocols.toolbox.KClusterElement, nc : int) -> rosetta.protocols.toolbox.KClusterElement
 
return the subcluster
get_type(...) from builtins.PyCapsule
get_type(self : rosetta.protocols.toolbox.KClusterElement, ndx_data : int) -> int
 
return data's type(local cluster index)
ncluster(...) from builtins.PyCapsule
ncluster(rosetta.protocols.toolbox.KClusterElement) -> int
set_cluster(...) from builtins.PyCapsule
set_cluster(self : rosetta.protocols.toolbox.KClusterElement, ndx_cluster : int, ndx_data : int) -> NoneType
 
set a cluster center's data_ndx

 
class KMedoid(KCluster)
    Typical K-Medoids Clustering Algorithm
 
 
Method resolution order:
KMedoid
KCluster
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(handle) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(*args, **kwargs)
Overloaded function.
 
1. assign(self : rosetta.protocols.toolbox.KMedoid,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> float
 
2. assign(self : rosetta.protocols.toolbox.KMedoid,  : rosetta.protocols.toolbox.KMedoid) -> rosetta.protocols.toolbox.KMedoid
get_threshold(...) from builtins.PyCapsule
get_threshold(rosetta.protocols.toolbox.KMedoid) -> float
init(...) from builtins.PyCapsule
init(*args, **kwargs)
Overloaded function.
 
1. init(self : rosetta.protocols.toolbox.KMedoid,  : rosetta.protocols.toolbox.KClusterElement) -> NoneType
 
2. init(self : rosetta.protocols.toolbox.KMedoid,  : rosetta.protocols.toolbox.KClusterElement, first : int) -> NoneType
set_threshold(...) from builtins.PyCapsule
set_threshold(self : rosetta.protocols.toolbox.KMedoid,  : float) -> NoneType
update(...) from builtins.PyCapsule
update(self : rosetta.protocols.toolbox.KMedoid,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> NoneType
whoami(...) from builtins.PyCapsule
whoami(rosetta.protocols.toolbox.KMedoid) -> bool

Methods inherited from KCluster:
cluster(...) from builtins.PyCapsule
cluster(*args, **kwargs)
Overloaded function.
 
1. cluster(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData) -> NoneType
 
2. cluster(self : rosetta.protocols.toolbox.KCluster,  : rosetta.protocols.toolbox.KClusterElement,  : rosetta.protocols.toolbox.KClusterData, first : int) -> NoneType
set_ncluster(...) from builtins.PyCapsule
set_ncluster(self : rosetta.protocols.toolbox.KCluster, nc : int) -> NoneType

 
class MulliganPNearEvaluator(EnergyLandscapeEvaluator)
    Evaluates a set of score/rms points using Vikram's pnear method
 
PNear = SUM( e^(rms^2/lambda^2)*e^(-(score-bg_score)/temperature) ) / SUM( e^( -(score-bg_score)/temperature ) )
 
 
Method resolution order:
MulliganPNearEvaluator
EnergyLandscapeEvaluator
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, temperature : float, lambda : float) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.MulliganPNearEvaluator,  : rosetta.protocols.toolbox.MulliganPNearEvaluator) -> rosetta.protocols.toolbox.MulliganPNearEvaluator
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.toolbox.MulliganPNearEvaluator) -> rosetta.protocols.toolbox.EnergyLandscapeEvaluator
compute(...) from builtins.PyCapsule
compute(self : rosetta.protocols.toolbox.MulliganPNearEvaluator, points : rosetta.protocols.toolbox.ScoreRmsPoints) -> float

 
class Node(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.protocols.toolbox.Node, id : str, resi : int) -> NoneType
 
2. __init__(self : rosetta.protocols.toolbox.Node,  : rosetta.protocols.toolbox.Node) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.Node,  : rosetta.protocols.toolbox.Node) -> rosetta.protocols.toolbox.Node

Data descriptors defined here:
distanceFromStart
id
in_list
neighbors
resi

 
class ResidueGroupIGEdgeUpweighter(rosetta.core.pack.task.IGEdgeReweighter)
    
Method resolution order:
ResidueGroupIGEdgeUpweighter
rosetta.core.pack.task.IGEdgeReweighter
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, weight_factor : float, group1_in : rosetta.utility.vector1_unsigned_long, group2_in : rosetta.utility.vector1_unsigned_long) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
get_edge_reweight(...) from builtins.PyCapsule
get_edge_reweight(self : rosetta.protocols.toolbox.ResidueGroupIGEdgeUpweighter,  : rosetta.core.pose.Pose,  : rosetta.core.pack.task.PackerTask, res1 : int, res2 : int) -> float

 
class ResidueNetwork(builtins.object)
    residuenetwork base class
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.toolbox.ResidueNetwork) -> NoneType
 
2. __init__(rosetta.protocols.toolbox.ResidueNetwork, rosetta.protocols.toolbox.ResidueNetwork) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.ResidueNetwork,  : rosetta.protocols.toolbox.ResidueNetwork) -> rosetta.protocols.toolbox.ResidueNetwork
average_shortest_path_length(...) from builtins.PyCapsule
average_shortest_path_length(rosetta.protocols.toolbox.ResidueNetwork) -> float
 
calculates the average shortest path length of the network
clear_edges(...) from builtins.PyCapsule
clear_edges(rosetta.protocols.toolbox.ResidueNetwork) -> NoneType
 
empties edges
connectivity_index(...) from builtins.PyCapsule
connectivity_index(self : rosetta.protocols.toolbox.ResidueNetwork, resi : int) -> float
 
calculates the connectivity index of residue resi in the context of the network
create_from_pose(...) from builtins.PyCapsule
create_from_pose(self : rosetta.protocols.toolbox.ResidueNetwork, pose : rosetta.core.pose.Pose) -> NoneType
 
create a network from a pose
dijkstras(...) from builtins.PyCapsule
dijkstras(self : rosetta.protocols.toolbox.ResidueNetwork, resi : int) -> NoneType
 
run Dijkstra's shortest path algorithm on the given list of nodes
 after execution, the "distanceFromStart" variable of each node will contain the distance from residue resi
generate_edges(...) from builtins.PyCapsule
generate_edges(self : rosetta.protocols.toolbox.ResidueNetwork, pose : rosetta.core.pose.Pose) -> NoneType
 
generate a list of edges from the pose -- MUST be reimplemented for each type of network
nodes(...) from builtins.PyCapsule
nodes(rosetta.protocols.toolbox.ResidueNetwork) -> rosetta.std.list_std_shared_ptr_protocols_toolbox_Node_std_allocator_std_shared_ptr_protocols_toolbox_Node_t

 
class RotamerBoltzmannWeightEvaluator(EnergyLandscapeEvaluator)
    Evaluates a set of score/rms points using the RotamerBoltzmann original method
 
 
Method resolution order:
RotamerBoltzmannWeightEvaluator
EnergyLandscapeEvaluator
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : handle, temperature : float, include_bg_point_in_sum : bool) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.RotamerBoltzmannWeightEvaluator,  : rosetta.protocols.toolbox.RotamerBoltzmannWeightEvaluator) -> rosetta.protocols.toolbox.RotamerBoltzmannWeightEvaluator
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.toolbox.RotamerBoltzmannWeightEvaluator) -> rosetta.protocols.toolbox.EnergyLandscapeEvaluator
compute(...) from builtins.PyCapsule
compute(self : rosetta.protocols.toolbox.RotamerBoltzmannWeightEvaluator, points : rosetta.protocols.toolbox.ScoreRmsPoints) -> float

 
class SF_Replica(builtins.object)
     Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.protocols.toolbox.SF_Replica, pose : rosetta.core.pose.Pose) -> float
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.protocols.toolbox.SF_Replica) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.SF_Replica,  : rosetta.protocols.toolbox.SF_Replica) -> rosetta.protocols.toolbox.SF_Replica
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.toolbox.SF_Replica) -> rosetta.protocols.toolbox.SF_Replica

 
class ScoreRmsPoint(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.protocols.toolbox.ScoreRmsPoint, score_val : float, rms_val : float) -> NoneType
 
2. __init__(self : rosetta.protocols.toolbox.ScoreRmsPoint,  : rosetta.protocols.toolbox.ScoreRmsPoint) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
__str__(...) from builtins.PyCapsule
__str__(rosetta.protocols.toolbox.ScoreRmsPoint) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.ScoreRmsPoint,  : rosetta.protocols.toolbox.ScoreRmsPoint) -> rosetta.protocols.toolbox.ScoreRmsPoint
rms(...) from builtins.PyCapsule
rms(rosetta.protocols.toolbox.ScoreRmsPoint) -> float
score(...) from builtins.PyCapsule
score(rosetta.protocols.toolbox.ScoreRmsPoint) -> float

 
class ScoreRmsPoints(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint)
    
Method resolution order:
ScoreRmsPoints
rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.protocols.toolbox.ScoreRmsPoints, bg_point : rosetta.protocols.toolbox.ScoreRmsPoint) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.toolbox.ScoreRmsPoints,  : rosetta.protocols.toolbox.ScoreRmsPoints) -> rosetta.protocols.toolbox.ScoreRmsPoints
bg(...) from builtins.PyCapsule
bg(rosetta.protocols.toolbox.ScoreRmsPoints) -> rosetta.protocols.toolbox.ScoreRmsPoint

Methods inherited from rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint:
__bool__(...) from builtins.PyCapsule
__bool__(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> bool
 
Check whether the list is nonempty
__getitem__(...) from builtins.PyCapsule
__getitem__(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint, int) -> protocols::toolbox::ScoreRmsPoint
__iter__(...) from builtins.PyCapsule
__iter__(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> iterator
__len__(...) from builtins.PyCapsule
__len__(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> int
__repr__(...) from builtins.PyCapsule
__repr__(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> str
__setitem__(...) from builtins.PyCapsule
__setitem__(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint, int, protocols::toolbox::ScoreRmsPoint) -> NoneType
append(...) from builtins.PyCapsule
append(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint, protocols::toolbox::ScoreRmsPoint) -> NoneType
 
adds an element to the end
back(...) from builtins.PyCapsule
back(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> protocols::toolbox::ScoreRmsPoint
 
access the last element
capacity(...) from builtins.PyCapsule
capacity(std::vector<protocols::toolbox::ScoreRmsPoint, std::allocator<protocols::toolbox::ScoreRmsPoint> >) -> int
 
returns the number of elements that can be held in currently allocated storage
clear(...) from builtins.PyCapsule
clear(std::vector<protocols::toolbox::ScoreRmsPoint, std::allocator<protocols::toolbox::ScoreRmsPoint> >) -> NoneType
 
clears the contents
erase(...) from builtins.PyCapsule
erase(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint, int) -> NoneType
 
erases element at index
extend = _vector_extend_func(vec, othervec)
# Vector compatibility: Adding 'extend' to all utility.vector* functions
front(...) from builtins.PyCapsule
front(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> protocols::toolbox::ScoreRmsPoint
 
access the first element
l(...) from builtins.PyCapsule
l(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> int
 
lower index
max_size(...) from builtins.PyCapsule
max_size(std::vector<protocols::toolbox::ScoreRmsPoint, std::allocator<protocols::toolbox::ScoreRmsPoint> >) -> int
 
returns the maximum possible number of elements
pop(...) from builtins.PyCapsule
pop(*args, **kwargs)
Overloaded function.
 
1. pop(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> protocols::toolbox::ScoreRmsPoint
 
remove and return last item
 
2. pop(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint, int) -> protocols::toolbox::ScoreRmsPoint
 
remove and return item at index
reserve(...) from builtins.PyCapsule
reserve(std::vector<protocols::toolbox::ScoreRmsPoint, std::allocator<protocols::toolbox::ScoreRmsPoint> >, int) -> NoneType
 
reserves storage
shrink_to_fit(...) from builtins.PyCapsule
shrink_to_fit(std::vector<protocols::toolbox::ScoreRmsPoint, std::allocator<protocols::toolbox::ScoreRmsPoint> >) -> NoneType
 
reduces memory usage by freeing unused memory
u(...) from builtins.PyCapsule
u(rosetta.utility.vector1_protocols_toolbox_ScoreRmsPoint) -> int
 
upper index

 
Functions
       
AdjacentRemainingNodes(...) method of builtins.PyCapsule instance
AdjacentRemainingNodes(node : protocols::toolbox::Node) -> rosetta.std.list_std_shared_ptr_protocols_toolbox_Node_std_allocator_std_shared_ptr_protocols_toolbox_Node_t
CA_superimpose(...) method of builtins.PyCapsule instance
CA_superimpose(*args, **kwargs)
Overloaded function.
 
1. CA_superimpose(weights : ObjexxFCL::FArray1<double>, ref_pose : rosetta.core.pose.Pose, fit_pose : rosetta.core.pose.Pose) -> NoneType
 
2. CA_superimpose(ref_pose : rosetta.core.pose.Pose, fit_pose : rosetta.core.pose.Pose) -> NoneType
Contains(...) method of builtins.PyCapsule instance
Contains(nodes : rosetta.std.list_std_shared_ptr_protocols_toolbox_Node_std_allocator_std_shared_ptr_protocols_toolbox_Node_t, node : protocols::toolbox::Node) -> bool
ExtractSmallest(...) method of builtins.PyCapsule instance
ExtractSmallest(nodes : rosetta.std.list_std_shared_ptr_protocols_toolbox_Node_std_allocator_std_shared_ptr_protocols_toolbox_Node_t) -> protocols::toolbox::Node
PyReturnValuePolicyTest_DummyClassCOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_DummyClassCOP() -> rosetta.protocols.toolbox.DummyClass
PyReturnValuePolicyTest_DummyClassOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_DummyClassOP() -> rosetta.protocols.toolbox.DummyClass
PyReturnValuePolicyTest_PoseCOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_PoseCOP() -> rosetta.core.pose.Pose
PyReturnValuePolicyTest_PoseOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_PoseOP() -> rosetta.core.pose.Pose
PyReturnValuePolicyTest_SF_ReplicaCOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_SF_ReplicaCOP() -> rosetta.protocols.toolbox.SF_Replica
PyReturnValuePolicyTest_SF_ReplicaOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_SF_ReplicaOP() -> rosetta.protocols.toolbox.SF_Replica
PyReturnValuePolicyTest_ScoreFunctionCOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_ScoreFunctionCOP() -> rosetta.core.scoring.ScoreFunction
PyReturnValuePolicyTest_ScoreFunctionCOP2(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_ScoreFunctionCOP2() -> rosetta.core.scoring.ScoreFunction
PyReturnValuePolicyTest_ScoreFunctionOP(...) method of builtins.PyCapsule instance
PyReturnValuePolicyTest_ScoreFunctionOP() -> rosetta.core.scoring.ScoreFunction
apply_superposition_transform(...) method of builtins.PyCapsule instance
apply_superposition_transform(pose : rosetta.core.pose.Pose, rotation : rosetta.numeric.xyzMatrix_double_t, to_init_center : rosetta.numeric.xyzVector_double_t, to_fit_center : rosetta.numeric.xyzVector_double_t) -> NoneType
apply_superposition_transform_to_jump(...) method of builtins.PyCapsule instance
apply_superposition_transform_to_jump(pose : rosetta.core.pose.Pose, jump_id : int, rotation : rosetta.numeric.xyzMatrix_double_t, to_init_center : rosetta.numeric.xyzVector_double_t, to_fit_center : rosetta.numeric.xyzVector_double_t) -> NoneType
dump_as_pdb(...) method of builtins.PyCapsule instance
dump_as_pdb(*args, **kwargs)
Overloaded function.
 
1. dump_as_pdb(filename : str, n : int, coords : rosetta.ObjexxFCL.FArray2_double_t) -> NoneType
 
write a CA ALA pdb
 
2. dump_as_pdb(filename : str, n : int, coords : rosetta.ObjexxFCL.FArray2_double_t, transvec : ObjexxFCL::FArray1D<double>) -> NoneType
 
write a CA ALA pdb
file_full_path(...) method of builtins.PyCapsule instance
file_full_path( : str) -> str
fill_CA_coords(...) method of builtins.PyCapsule instance
fill_CA_coords(*args, **kwargs)
Overloaded function.
 
1. fill_CA_coords(pose : rosetta.core.pose.Pose, natoms : int, coords : rosetta.ObjexxFCL.FArray2_double_t) -> NoneType
 
2. fill_CA_coords(pose : rosetta.core.pose.Pose, coords : rosetta.ObjexxFCL.FArray2_double_t) -> NoneType
fit_centered_coords(...) method of builtins.PyCapsule instance
fit_centered_coords(natoms : int, weights : ObjexxFCL::FArray1<double>, ref_coords : rosetta.ObjexxFCL.FArray2_double_t, coords : rosetta.ObjexxFCL.FArray2_double_t, R : rosetta.numeric.xyzMatrix_double_t) -> NoneType
fix_tag_suffix(...) method of builtins.PyCapsule instance
fix_tag_suffix( : str) -> str
get_K_cluster_engine(...) method of builtins.PyCapsule instance
get_K_cluster_engine( : str) -> rosetta.protocols.toolbox.KCluster
reset_x(...) method of builtins.PyCapsule instance
reset_x(n : int, x : rosetta.ObjexxFCL.FArray2_double_t, wts : ObjexxFCL::FArray1<double>, transvec : ObjexxFCL::FArray1<double>) -> NoneType
superposition_transform(...) method of builtins.PyCapsule instance
superposition_transform(*args, **kwargs)
Overloaded function.
 
1. superposition_transform(init_coords : rosetta.utility.vector1_numeric_xyzVector_double_t, ref_coords : rosetta.utility.vector1_numeric_xyzVector_double_t, rotation : rosetta.numeric.xyzMatrix_double_t, to_init_center : rosetta.numeric.xyzVector_double_t, to_fit_center : rosetta.numeric.xyzVector_double_t) -> NoneType
 
2. superposition_transform(init_coords : rosetta.utility.vector1_numeric_xyzVector_double_t, ref_coords : rosetta.utility.vector1_numeric_xyzVector_double_t, coord_weights : rosetta.utility.vector1_double, rotation : rosetta.numeric.xyzMatrix_double_t, to_init_center : rosetta.numeric.xyzVector_double_t, to_fit_center : rosetta.numeric.xyzVector_double_t) -> NoneType
 
3. superposition_transform(natoms : int, weights : ObjexxFCL::FArray1<double>, ref_coords : rosetta.ObjexxFCL.FArray2_double_t, coords : rosetta.ObjexxFCL.FArray2_double_t, R : rosetta.numeric.xyzMatrix_double_t, toCenter : rosetta.numeric.xyzVector_double_t, toFitCenter : rosetta.numeric.xyzVector_double_t) -> NoneType