rosetta.protocols.metal_interface
index
(built-in)

Bindings for protocols::metal_interface namespace

 
Classes
       
builtins.object
AddZincSiteConstraints
MatchGrafter
MetalSiteResidue
ZincSiteFinder
rosetta.protocols.moves.Mover(builtins.object)
ZincHeterodimerMover

 
class AddZincSiteConstraints(builtins.object)
    Add metalsite geometry constraints to pose
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, msr : rosetta.utility.vector1_std_shared_ptr_protocols_metal_interface_MetalSiteResidue_t) -> NoneType
 
2. __init__(handle, rosetta.protocols.metal_interface.AddZincSiteConstraints) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.
add_constraints(...) from builtins.PyCapsule
add_constraints(self : rosetta.protocols.metal_interface.AddZincSiteConstraints, pose : rosetta.core.pose.Pose) -> NoneType
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.metal_interface.AddZincSiteConstraints,  : rosetta.protocols.metal_interface.AddZincSiteConstraints) -> rosetta.protocols.metal_interface.AddZincSiteConstraints
evaluate_constraints(...) from builtins.PyCapsule
evaluate_constraints(self : rosetta.protocols.metal_interface.AddZincSiteConstraints, pose : rosetta.core.pose.Pose) -> NoneType
output_constraints_file(...) from builtins.PyCapsule
output_constraints_file(self : rosetta.protocols.metal_interface.AddZincSiteConstraints, pose : rosetta.core.pose.Pose) -> NoneType
view_constraints_in_pymol(...) from builtins.PyCapsule
view_constraints_in_pymol(self : rosetta.protocols.metal_interface.AddZincSiteConstraints, pose : rosetta.core.pose.Pose) -> NoneType

 
class MatchGrafter(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.metal_interface.MatchGrafter,  : rosetta.protocols.metal_interface.MatchGrafter) -> rosetta.protocols.metal_interface.MatchGrafter
build_combined_pose_with_zinc_overlay(...) from builtins.PyCapsule
build_combined_pose_with_zinc_overlay(self : rosetta.protocols.metal_interface.MatchGrafter, partner1 : rosetta.core.pose.Pose, partner2 : rosetta.core.pose.Pose) -> rosetta.core.pose.Pose
ensure_proper_his_tautomers(...) from builtins.PyCapsule
ensure_proper_his_tautomers(self : rosetta.protocols.metal_interface.MatchGrafter, combined : rosetta.core.pose.Pose, metalsite_seqpos : rosetta.utility.vector1_unsigned_long) -> NoneType
graft(...) from builtins.PyCapsule
graft(self : rosetta.protocols.metal_interface.MatchGrafter, match : rosetta.core.pose.Pose, partner_ungrafted : rosetta.core.pose.Pose) -> rosetta.core.pose.Pose

 
class MetalSiteResidue(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(handle, rosetta.protocols.metal_interface.MetalSiteResidue) -> 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.metal_interface.MetalSiteResidue,  : rosetta.protocols.metal_interface.MetalSiteResidue) -> rosetta.protocols.metal_interface.MetalSiteResidue
get_ligand_atom_id(...) from builtins.PyCapsule
get_ligand_atom_id(rosetta.protocols.metal_interface.MetalSiteResidue) -> rosetta.core.id.AtomID
get_ligand_atom_name(...) from builtins.PyCapsule
get_ligand_atom_name(rosetta.protocols.metal_interface.MetalSiteResidue) -> str
get_ligand_atom_xyz(...) from builtins.PyCapsule
get_ligand_atom_xyz(rosetta.protocols.metal_interface.MetalSiteResidue) -> rosetta.numeric.xyzVector_double_t
get_pre_ligand_atom_id(...) from builtins.PyCapsule
get_pre_ligand_atom_id(rosetta.protocols.metal_interface.MetalSiteResidue) -> rosetta.core.id.AtomID
get_pre_pre_ligand_atom_id(...) from builtins.PyCapsule
get_pre_pre_ligand_atom_id(rosetta.protocols.metal_interface.MetalSiteResidue) -> rosetta.core.id.AtomID
get_resname(...) from builtins.PyCapsule
get_resname(rosetta.protocols.metal_interface.MetalSiteResidue) -> str
get_seqpos(...) from builtins.PyCapsule
get_seqpos(rosetta.protocols.metal_interface.MetalSiteResidue) -> int
set_ligand_atom_id(...) from builtins.PyCapsule
set_ligand_atom_id(self : rosetta.protocols.metal_interface.MetalSiteResidue, ligand_atom_id : rosetta.core.id.AtomID) -> NoneType
set_ligand_atom_name(...) from builtins.PyCapsule
set_ligand_atom_name(self : rosetta.protocols.metal_interface.MetalSiteResidue, ligand_atom_name : str) -> NoneType
set_ligand_atom_xyz(...) from builtins.PyCapsule
set_ligand_atom_xyz(self : rosetta.protocols.metal_interface.MetalSiteResidue, ligand_atom_xyz : rosetta.numeric.xyzVector_double_t) -> NoneType
set_pre_ligand_atom_id(...) from builtins.PyCapsule
set_pre_ligand_atom_id(self : rosetta.protocols.metal_interface.MetalSiteResidue, pre_ligand_atom_id : rosetta.core.id.AtomID) -> NoneType
set_pre_pre_ligand_atom_id(...) from builtins.PyCapsule
set_pre_pre_ligand_atom_id(self : rosetta.protocols.metal_interface.MetalSiteResidue, pre_pre_ligand_atom_id : rosetta.core.id.AtomID) -> NoneType
set_resname(...) from builtins.PyCapsule
set_resname(self : rosetta.protocols.metal_interface.MetalSiteResidue, resname : str) -> NoneType
set_seqpos(...) from builtins.PyCapsule
set_seqpos(self : rosetta.protocols.metal_interface.MetalSiteResidue, seqpos : int) -> NoneType

 
class ZincHeterodimerMover(rosetta.protocols.moves.Mover)
    ZincHeterodimerMover is a mover for the ZincHeterodimerDesign protocol
 
 
Method resolution order:
ZincHeterodimerMover
rosetta.protocols.moves.Mover
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(self : handle, metal_site : rosetta.utility.vector1_unsigned_long, fixed_to_metal : rosetta.core.kinematics.Edge, metal_to_mobile : rosetta.core.kinematics.Edge) -> NoneType
 
2. __init__(handle, rosetta.protocols.metal_interface.ZincHeterodimerMover) -> 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.metal_interface.ZincHeterodimerMover, pose : rosetta.core.pose.Pose) -> NoneType
get_name(...) from builtins.PyCapsule
get_name(rosetta.protocols.metal_interface.ZincHeterodimerMover) -> str

Methods inherited from rosetta.protocols.moves.Mover:
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.moves.Mover, other : rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
clear_info(...) from builtins.PyCapsule
clear_info(rosetta.protocols.moves.Mover) -> NoneType
 
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
 
 
 clear_info is called by jd2 before calling apply
clone(...) from builtins.PyCapsule
clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
 
Return a clone of the Mover object.
create(...) from builtins.PyCapsule
create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
fresh_instance(...) from builtins.PyCapsule
fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
 
Generates a new Mover object freshly created with the default ctor.
get_additional_output(...) from builtins.PyCapsule
get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
 
fpd
 
 
 Mechanism by which a mover may return multiple output poses from a single input pose.
get_current_job(...) from builtins.PyCapsule
get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
get_current_tag(...) from builtins.PyCapsule
get_current_tag(rosetta.protocols.moves.Mover) -> str
 
A tag is a unique identifier used to identify structures produced
 by this Moverget_current_tag() returns the tag, and set_current_tag( std::string tag )
 sets the tag.  This functionality is not intended for use with the 2008 job distributor.
get_input_pose(...) from builtins.PyCapsule
get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
get_last_move_status(...) from builtins.PyCapsule
get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
 
returns status after an apply().  The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
get_native_pose(...) from builtins.PyCapsule
get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
get_self_ptr(...) from builtins.PyCapsule
get_self_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
 
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
get_self_weak_ptr(...) from builtins.PyCapsule
get_self_weak_ptr(*args, **kwargs)
Overloaded function.
 
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
 
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
get_type(...) from builtins.PyCapsule
get_type(rosetta.protocols.moves.Mover) -> str
info(...) from builtins.PyCapsule
info(*args, **kwargs)
Overloaded function.
 
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
 
non-const accessor
 
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
 
const accessor
last_proposal_density_ratio(...) from builtins.PyCapsule
last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
name(...) from builtins.PyCapsule
name() -> str
register_options(...) from builtins.PyCapsule
register_options(*args, **kwargs)
Overloaded function.
 
1. register_options() -> NoneType
 
Overload this static method if you access options within the mover.
 
 
 These options will end up in -help of your application if users of this mover call register_options.
 Do this recursively!
 If you use movers within your mover, call their register_options in your register_options() method.
 
2. register_options() -> NoneType
 
3. register_options() -> NoneType
 
4. register_options() -> NoneType
 
5. register_options() -> NoneType
 
6. register_options() -> NoneType
 
7. register_options() -> NoneType
 
8. register_options() -> NoneType
 
9. register_options() -> NoneType
 
Associates relevant options with the AntibodyModeler class
 
10. register_options() -> NoneType
 
Associates relevant options with the AntibodyModeler class
 
11. register_options() -> NoneType
 
Associates relevant options with the SnugDock class
 
12. register_options() -> NoneType
 
Associates relevant options with the SnugDockProtocol class
 
13. register_options() -> NoneType
 
Register the options used by this mover with the global options
 system.
 
14. register_options() -> NoneType
 
15. register_options() -> NoneType
 
Associate relevant options with the TemperedDocking class.
 
16. register_options() -> NoneType
 
17. register_options() -> NoneType
 
18. register_options() -> NoneType
 
Associates relevant options with the TemperedDocking class.
 
19. register_options() -> NoneType
 
20. register_options() -> NoneType
 
Associates relevant options with the ConstraintSetMover class
 
21. register_options() -> NoneType
 
22. register_options() -> NoneType
 
Associates relevant options with the DockingInitialPerturbation class
 
23. register_options() -> NoneType
 
Associates relevant options with the DockingProtocol class
 
24. register_options() -> NoneType
 
Associates relevant options with the TemperedDocking class
 
25. register_options() -> NoneType
 
26. register_options() -> NoneType
 
27. register_options() -> NoneType
 
28. register_options() -> NoneType
 
register options
 
29. register_options() -> NoneType
 
30. register_options() -> NoneType
 
Registers applicable options
 
31. register_options() -> NoneType
 
Register options with the option system.
 
32. register_options() -> NoneType
 
33. register_options() -> NoneType
 
34. register_options() -> NoneType
 
Associates relevant options with the LoopRefineInnerCycle class
 
35. register_options() -> NoneType
 
Associates relevant options with the LoopRefineInnerCycleContainer class
 
36. register_options() -> NoneType
 
Associates relevant options with the LoopRefineInnerCycle class
 
37. register_options() -> NoneType
 
Associates relevant options with the LoopRefineInnerCycle class
 
38. register_options() -> NoneType
 
39. register_options() -> NoneType
 
Register options with the option system.
 
40. register_options() -> NoneType
reinitialize_for_each_job(...) from builtins.PyCapsule
reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
 
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
 each use.
reinitialize_for_new_input(...) from builtins.PyCapsule
reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
 
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
 pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
 that one input pose).
reset_status(...) from builtins.PyCapsule
reset_status(rosetta.protocols.moves.Mover) -> NoneType
 
resets status to SUCCESS, meant to be used before an apply().  The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
set_current_job(...) from builtins.PyCapsule
set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
 
////////////////////////////end Job Distributor interface////////////////////////////////////////
set_current_tag(...) from builtins.PyCapsule
set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
set_input_pose(...) from builtins.PyCapsule
set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
 
setter for poses contained for rms
set_native_pose(...) from builtins.PyCapsule
set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
 
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
set_type(...) from builtins.PyCapsule
set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
test_move(...) from builtins.PyCapsule
test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
 
: Unit test support function.  Apply one move to a given pose.
      Allows extra test specific functions to be called before applying
type(...) from builtins.PyCapsule
type(*args, **kwargs)
Overloaded function.
 
1. type(rosetta.protocols.moves.Mover) -> str
 
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType

 
class ZincSiteFinder(builtins.object)
     Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(handle) -> NoneType
 
2. __init__(self : handle, zinc_res : int) -> 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.metal_interface.ZincSiteFinder,  : rosetta.protocols.metal_interface.ZincSiteFinder) -> rosetta.protocols.metal_interface.ZincSiteFinder
check_for_parse_error(...) from builtins.PyCapsule
check_for_parse_error(rosetta.protocols.metal_interface.ZincSiteFinder) -> bool
find_zinc_site(...) from builtins.PyCapsule
find_zinc_site(self : rosetta.protocols.metal_interface.ZincSiteFinder, pose : rosetta.core.pose.Pose) -> rosetta.utility.vector1_std_shared_ptr_protocols_metal_interface_MetalSiteResidue_t
set_expecting_n_ligands(...) from builtins.PyCapsule
set_expecting_n_ligands(self : rosetta.protocols.metal_interface.ZincSiteFinder, n : int) -> NoneType

 
Functions
       
find_closest_atom(...) method of builtins.PyCapsule instance
find_closest_atom(res : rosetta.core.conformation.Residue, xyz : rosetta.numeric.xyzVector_double_t) -> str