rosetta.protocols.protein_interface_design
index
(built-in)

Bindings for protocols::protein_interface_design namespace

 
Modules
       
rosetta.protocols.protein_interface_design.filters
rosetta.protocols.protein_interface_design.movers

 
Classes
       
builtins.object
DockDesignFilterFactory
FavorNativeResidue
FavorNonNativeResidue
PatchdockReader
ReportPSSMDifferences
ReportSequenceDifferences
Revert
Transformation
rosetta.protocols.jd2.JobInputterCreator(builtins.object)
ParserJobInputterCreator
rosetta.protocols.jd2.PDBJobInputter(rosetta.protocols.jd2.JobInputter)
ParserJobInputter

 
class DockDesignFilterFactory(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.protocols.protein_interface_design.DockDesignFilterFactory) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_type(...) from builtins.PyCapsule
add_type(*args, **kwargs)
Overloaded function.
 
1. add_type(self : rosetta.protocols.protein_interface_design.DockDesignFilterFactory,  : rosetta.protocols.filters.Filter) -> NoneType
 
add a Filter prototype, using its default type name as the map key
 
2. add_type(self : rosetta.protocols.protein_interface_design.DockDesignFilterFactory,  : str,  : rosetta.protocols.filters.Filter) -> NoneType
 
add a Filter prototype, using an arbitrary type name as the map key
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.protein_interface_design.DockDesignFilterFactory,  : rosetta.protocols.protein_interface_design.DockDesignFilterFactory) -> rosetta.protocols.protein_interface_design.DockDesignFilterFactory
newFilter(...) from builtins.PyCapsule
newFilter(self : rosetta.protocols.protein_interface_design.DockDesignFilterFactory,  : str) -> rosetta.protocols.filters.Filter
 
return new Filter by key lookup in dock_design_filter_map_

 
class FavorNativeResidue(builtins.object)
    class FavorNativeResidue changes a pose object so that its residue identities at the
initialization of FavorNativeResidue are kept in memory. If the res_type_constraint score term is set
to a value other than 0, an energy bonus will be assigned if the residue doesn't change. This is useful
e.g., in design based on a native scaffold where we want a barrier to mutation.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.protocols.protein_interface_design.FavorNativeResidue, pose : rosetta.core.pose.Pose, native_residue_bonus : float) -> NoneType
 
2. __init__(self : rosetta.protocols.protein_interface_design.FavorNativeResidue, pose : rosetta.core.pose.Pose, native_residue_bonus : rosetta.utility.vector1_double) -> NoneType
 
3. __init__(self : rosetta.protocols.protein_interface_design.FavorNativeResidue,  : rosetta.protocols.protein_interface_design.FavorNativeResidue) -> 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.protein_interface_design.FavorNativeResidue,  : rosetta.protocols.protein_interface_design.FavorNativeResidue) -> rosetta.protocols.protein_interface_design.FavorNativeResidue

 
class FavorNonNativeResidue(builtins.object)
    class FavorNonNativeResidue changes a pose object so that its residue identities at the
initialization of FavorNonNativeResidue are kept in memory. If the res_type_constraint score term is set
to a value other than 0, an energy bonus will be assigned if the residue changes. This is useful
if we want to encourage mutation.  A negative score would discourage mutation.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.protocols.protein_interface_design.FavorNonNativeResidue, pose : rosetta.core.pose.Pose, native_residue_bonus : float) -> NoneType
 
2. __init__(self : rosetta.protocols.protein_interface_design.FavorNonNativeResidue, pose : rosetta.core.pose.Pose, native_residue_bonus : rosetta.utility.vector1_double) -> NoneType
 
3. __init__(self : rosetta.protocols.protein_interface_design.FavorNonNativeResidue,  : rosetta.protocols.protein_interface_design.FavorNonNativeResidue) -> 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.protein_interface_design.FavorNonNativeResidue,  : rosetta.protocols.protein_interface_design.FavorNonNativeResidue) -> rosetta.protocols.protein_interface_design.FavorNonNativeResidue

 
class ParserJobInputter(rosetta.protocols.jd2.PDBJobInputter)
    
Method resolution order:
ParserJobInputter
rosetta.protocols.jd2.PDBJobInputter
rosetta.protocols.jd2.JobInputter
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.protocols.protein_interface_design.ParserJobInputter) -> 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.protein_interface_design.ParserJobInputter,  : rosetta.protocols.protein_interface_design.ParserJobInputter) -> rosetta.protocols.protein_interface_design.ParserJobInputter
pose_from_job(...) from builtins.PyCapsule
pose_from_job(self : rosetta.protocols.protein_interface_design.ParserJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
 
this function is responsible for filling the pose reference with the pose indicated by the job.  The Job object (within its InnerJob) contains a PoseCOP.  This function needs to either fill the pose reference from the InnerJob or, on first demand of a pose from that InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill the reference.  This implementation uses pose_from_pdb

Methods inherited from rosetta.protocols.jd2.PDBJobInputter:
fill_jobs(...) from builtins.PyCapsule
fill_jobs(self : rosetta.protocols.jd2.PDBJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
 
this function determines what jobs exist from -s/-l
input_source(...) from builtins.PyCapsule
input_source(rosetta.protocols.jd2.PDBJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
 
Return the type of input source that the PDBJobInputter is currently
  using.
 
 
 Always PDB_FILE.

Methods inherited from rosetta.protocols.jd2.JobInputter:
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
 
Get self const owning pointers.
 
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
 
Get self owning pointers.
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
 
Get self const weak pointers.
 
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
 
Get self weak pointers.
job_inputter_input_source_to_string(...) from builtins.PyCapsule
job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
 
call this with input_source() to get the input source of a
 particular job inputter
update_jobs_list(...) from builtins.PyCapsule
update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
 
This function is only called by certain JobInputters to update the jobs list after it has already been created.
 
 
 An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
updates_jobs_list(...) from builtins.PyCapsule
updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
 
Does this type of JobInputter update the jobs list?
 
 
 False by default.  Override this function in derived classes to make it true.

 
class ParserJobInputterCreator(rosetta.protocols.jd2.JobInputterCreator)
    
Method resolution order:
ParserJobInputterCreator
rosetta.protocols.jd2.JobInputterCreator
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.protein_interface_design.ParserJobInputterCreator,  : rosetta.protocols.protein_interface_design.ParserJobInputterCreator) -> rosetta.protocols.protein_interface_design.ParserJobInputterCreator
create_JobInputter(...) from builtins.PyCapsule
create_JobInputter(rosetta.protocols.protein_interface_design.ParserJobInputterCreator) -> rosetta.protocols.jd2.JobInputter
keyname(...) from builtins.PyCapsule
keyname(rosetta.protocols.protein_interface_design.ParserJobInputterCreator) -> str

 
class PatchdockReader(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.protein_interface_design.PatchdockReader) -> NoneType
 
2. __init__(self : rosetta.protocols.protein_interface_design.PatchdockReader,  : rosetta.protocols.protein_interface_design.PatchdockReader) -> 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.protein_interface_design.PatchdockReader,  : rosetta.protocols.protein_interface_design.PatchdockReader) -> rosetta.protocols.protein_interface_design.PatchdockReader
clear_internals(...) from builtins.PyCapsule
clear_internals(rosetta.protocols.protein_interface_design.PatchdockReader) -> NoneType
from_entry(...) from builtins.PyCapsule
from_entry(*args, **kwargs)
Overloaded function.
 
1. from_entry(self : rosetta.protocols.protein_interface_design.PatchdockReader, f : int) -> NoneType
 
2. from_entry(rosetta.protocols.protein_interface_design.PatchdockReader) -> int
number_of_patchdock_entries(...) from builtins.PyCapsule
number_of_patchdock_entries(rosetta.protocols.protein_interface_design.PatchdockReader) -> int
patchdock_entry_num(...) from builtins.PyCapsule
patchdock_entry_num(*args, **kwargs)
Overloaded function.
 
1. patchdock_entry_num(rosetta.protocols.protein_interface_design.PatchdockReader) -> int
 
2. patchdock_entry_num(self : rosetta.protocols.protein_interface_design.PatchdockReader, s : int) -> NoneType
patchdock_fname(...) from builtins.PyCapsule
patchdock_fname(*args, **kwargs)
Overloaded function.
 
1. patchdock_fname(rosetta.protocols.protein_interface_design.PatchdockReader) -> str
 
2. patchdock_fname(self : rosetta.protocols.protein_interface_design.PatchdockReader, s : str) -> NoneType
random_entry(...) from builtins.PyCapsule
random_entry(*args, **kwargs)
Overloaded function.
 
1. random_entry(rosetta.protocols.protein_interface_design.PatchdockReader) -> bool
 
2. random_entry(self : rosetta.protocols.protein_interface_design.PatchdockReader, b : bool) -> NoneType
read_patchdock(...) from builtins.PyCapsule
read_patchdock(self : rosetta.protocols.protein_interface_design.PatchdockReader, input_tag : str, native_tag : str) -> NoneType
read_patchdock_entry(...) from builtins.PyCapsule
read_patchdock_entry(rosetta.protocols.protein_interface_design.PatchdockReader) -> rosetta.protocols.protein_interface_design.Transformation
read_poses(...) from builtins.PyCapsule
read_poses(*args, **kwargs)
Overloaded function.
 
1. read_poses(self : rosetta.protocols.protein_interface_design.PatchdockReader, input_pose : rosetta.core.pose.Pose, input_tag : str) -> NoneType
 
if no native is read
 
2. read_poses(self : rosetta.protocols.protein_interface_design.PatchdockReader, input_pose : rosetta.core.pose.Pose, native_pose : rosetta.core.pose.Pose, input_tag : str, native_tag : str) -> NoneType
 
reads input and native poses from file. If patchdock flags are used will read the patchdock transformation
 and transform the input pose accordingly
to_entry(...) from builtins.PyCapsule
to_entry(*args, **kwargs)
Overloaded function.
 
1. to_entry(self : rosetta.protocols.protein_interface_design.PatchdockReader, t : int) -> NoneType
 
2. to_entry(rosetta.protocols.protein_interface_design.PatchdockReader) -> int
transform_pose(...) from builtins.PyCapsule
transform_pose(self : rosetta.protocols.protein_interface_design.PatchdockReader, pose : rosetta.core.pose.Pose, chain : int, t : rosetta.protocols.protein_interface_design.Transformation) -> NoneType

 
class ReportPSSMDifferences(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.protein_interface_design.ReportPSSMDifferences) -> NoneType
 
2. __init__(self : rosetta.protocols.protein_interface_design.ReportPSSMDifferences, init : rosetta.protocols.protein_interface_design.ReportPSSMDifferences) -> 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.protein_interface_design.ReportPSSMDifferences,  : rosetta.protocols.protein_interface_design.ReportPSSMDifferences) -> rosetta.protocols.protein_interface_design.ReportPSSMDifferences
calculate(...) from builtins.PyCapsule
calculate(self : rosetta.protocols.protein_interface_design.ReportPSSMDifferences, pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose, task : rosetta.core.pack.task.PackerTask) -> float
load_pssm_data(...) from builtins.PyCapsule
load_pssm_data(self : rosetta.protocols.protein_interface_design.ReportPSSMDifferences, native_filename : str) -> bool
pssm_(...) from builtins.PyCapsule
pssm_(rosetta.protocols.protein_interface_design.ReportPSSMDifferences) -> rosetta.utility.vector1_std_pair_core_chemical_AA_utility_vector1_double_std_allocator_double_t
res_name1(...) from builtins.PyCapsule
res_name1(rosetta.protocols.protein_interface_design.ReportPSSMDifferences) -> rosetta.std.map_unsigned_long_std_string

 
class ReportSequenceDifferences(builtins.object)
    Class ReportSequenceDifferences takes in two poses and provides information on the sequence
changes between them, including the residue energies associated with those changes.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : rosetta.protocols.protein_interface_design.ReportSequenceDifferences, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
 
2. __init__(self : rosetta.protocols.protein_interface_design.ReportSequenceDifferences, init : rosetta.protocols.protein_interface_design.ReportSequenceDifferences) -> 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.protein_interface_design.ReportSequenceDifferences,  : rosetta.protocols.protein_interface_design.ReportSequenceDifferences) -> rosetta.protocols.protein_interface_design.ReportSequenceDifferences
calculate(...) from builtins.PyCapsule
calculate(self : rosetta.protocols.protein_interface_design.ReportSequenceDifferences, pose1 : rosetta.core.pose.Pose, pose2 : rosetta.core.pose.Pose) -> NoneType
get_res_energy(...) from builtins.PyCapsule
get_res_energy(self : rosetta.protocols.protein_interface_design.ReportSequenceDifferences, num : int) -> rosetta.std.map_unsigned_long_double
res_name1(...) from builtins.PyCapsule
res_name1(rosetta.protocols.protein_interface_design.ReportSequenceDifferences) -> rosetta.std.map_unsigned_long_std_string
res_name2(...) from builtins.PyCapsule
res_name2(rosetta.protocols.protein_interface_design.ReportSequenceDifferences) -> rosetta.std.map_unsigned_long_std_string

 
class Revert(builtins.object)
    class Revert takes in 'wt' and 'designed' poses and attempts to revert all substitutions in the
design to their wt identities. Each substitution is tried separately in the context of the designed protein
and reversions that don't adversely affect ddg are made. If the energy of the residue in the design is
higher than 0, but the reversion did not succeed, Revert will attempt an Ala substitution.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.protein_interface_design.Revert, rosetta.core.scoring.ScoreFunction, float) -> NoneType
 
doc
 
2. __init__(self : rosetta.protocols.protein_interface_design.Revert, scorefxn : rosetta.core.scoring.ScoreFunction, ddg_tolerance : float, ddg_cycles : int) -> NoneType
 
3. __init__(self : rosetta.protocols.protein_interface_design.Revert, init : rosetta.protocols.protein_interface_design.Revert) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
apply(...) from builtins.PyCapsule
apply(self : rosetta.protocols.protein_interface_design.Revert, pose_wt : rosetta.core.pose.Pose, pose_des : rosetta.core.pose.Pose) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.protein_interface_design.Revert,  : rosetta.protocols.protein_interface_design.Revert) -> rosetta.protocols.protein_interface_design.Revert

 
class Transformation(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.protocols.protein_interface_design.Transformation) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.

Data descriptors defined here:
alpha
beta
gamma
translation

 
Functions
       
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