rosetta.protocols.ligand_docking.ligand_options
index
(built-in)

Bindings for protocols::ligand_docking::ligand_options namespace

 
Classes
       
builtins.object
InterfaceInfo
rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo(builtins.object)
Interface

 
class Interface(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo)
    For each residue is it in the interface, a mobile region or a non-mobile region?
 
 
Method resolution order:
Interface
rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo
builtins.object

Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(self : rosetta.protocols.ligand_docking.ligand_options.Interface, num : int, info : rosetta.protocols.ligand_docking.ligand_options.InterfaceInfo) -> 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.ligand_docking.ligand_options.Interface) -> str
assign(...) from builtins.PyCapsule
assign(self : rosetta.protocols.ligand_docking.ligand_options.Interface,  : rosetta.protocols.ligand_docking.ligand_options.Interface) -> rosetta.protocols.ligand_docking.ligand_options.Interface
enforce_minimum_length(...) from builtins.PyCapsule
enforce_minimum_length(self : rosetta.protocols.ligand_docking.ligand_options.Interface, chain_begin : int, chain_end : int, window : int) -> NoneType
find_first_interface_residue(...) from builtins.PyCapsule
find_first_interface_residue(self : rosetta.protocols.ligand_docking.ligand_options.Interface, chain_begin : int, chain_end : int) -> int
find_start_of_next_interface_region(...) from builtins.PyCapsule
find_start_of_next_interface_region(self : rosetta.protocols.ligand_docking.ligand_options.Interface, start_from : int, chain_end : int) -> int
find_stop_of_this_interface_region(...) from builtins.PyCapsule
find_stop_of_this_interface_region(self : rosetta.protocols.ligand_docking.ligand_options.Interface, start_from : int, chain_end : int) -> int
get_interface_residues(...) from builtins.PyCapsule
get_interface_residues(rosetta.protocols.ligand_docking.ligand_options.Interface) -> rosetta.utility.vector1_unsigned_long
get_near_interface_residues(...) from builtins.PyCapsule
get_near_interface_residues(rosetta.protocols.ligand_docking.ligand_options.Interface) -> rosetta.utility.vector1_unsigned_long
get_python_string(...) from builtins.PyCapsule
get_python_string(rosetta.protocols.ligand_docking.ligand_options.Interface) -> str

Methods inherited from rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo:
__bool__(...) from builtins.PyCapsule
__bool__(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo) -> bool
 
Check whether the list is nonempty
__getitem__(...) from builtins.PyCapsule
__getitem__(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo, int) -> protocols::ligand_docking::ligand_options::InterfaceInfo
__iter__(...) from builtins.PyCapsule
__iter__(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo) -> iterator
__len__(...) from builtins.PyCapsule
__len__(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo) -> int
__setitem__(...) from builtins.PyCapsule
__setitem__(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo, int, protocols::ligand_docking::ligand_options::InterfaceInfo) -> NoneType
append(...) from builtins.PyCapsule
append(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo, protocols::ligand_docking::ligand_options::InterfaceInfo) -> NoneType
 
adds an element to the end
back(...) from builtins.PyCapsule
back(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo) -> protocols::ligand_docking::ligand_options::InterfaceInfo
 
access the last element
capacity(...) from builtins.PyCapsule
capacity(std::vector<protocols::ligand_docking::ligand_options::InterfaceInfo, std::allocator<protocols::ligand_docking::ligand_options::InterfaceInfo> >) -> int
 
returns the number of elements that can be held in currently allocated storage
clear(...) from builtins.PyCapsule
clear(std::vector<protocols::ligand_docking::ligand_options::InterfaceInfo, std::allocator<protocols::ligand_docking::ligand_options::InterfaceInfo> >) -> NoneType
 
clears the contents
erase(...) from builtins.PyCapsule
erase(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo, 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_ligand_docking_ligand_options_InterfaceInfo) -> protocols::ligand_docking::ligand_options::InterfaceInfo
 
access the first element
l(...) from builtins.PyCapsule
l(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo) -> int
 
lower index
max_size(...) from builtins.PyCapsule
max_size(std::vector<protocols::ligand_docking::ligand_options::InterfaceInfo, std::allocator<protocols::ligand_docking::ligand_options::InterfaceInfo> >) -> int
 
returns the maximum possible number of elements
pop(...) from builtins.PyCapsule
pop(*args, **kwargs)
Overloaded function.
 
1. pop(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo) -> protocols::ligand_docking::ligand_options::InterfaceInfo
 
remove and return last item
 
2. pop(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo, int) -> protocols::ligand_docking::ligand_options::InterfaceInfo
 
remove and return item at index
reserve(...) from builtins.PyCapsule
reserve(std::vector<protocols::ligand_docking::ligand_options::InterfaceInfo, std::allocator<protocols::ligand_docking::ligand_options::InterfaceInfo> >, int) -> NoneType
 
reserves storage
resize(...) from builtins.PyCapsule
resize(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo, int) -> NoneType
 
changes the number of elements stored
shrink_to_fit(...) from builtins.PyCapsule
shrink_to_fit(std::vector<protocols::ligand_docking::ligand_options::InterfaceInfo, std::allocator<protocols::ligand_docking::ligand_options::InterfaceInfo> >) -> NoneType
 
reduces memory usage by freeing unused memory
u(...) from builtins.PyCapsule
u(rosetta.utility.vector1_protocols_ligand_docking_ligand_options_InterfaceInfo) -> int
 
upper index

 
class InterfaceInfo(builtins.object)
    info for each residue- is it part of the interface and if so, what ligands is it near
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(*args, **kwargs)
Overloaded function.
 
1. __init__(rosetta.protocols.ligand_docking.ligand_options.InterfaceInfo) -> NoneType
 
2. __init__(self : rosetta.protocols.ligand_docking.ligand_options.InterfaceInfo, t : protocols::ligand_docking::ligand_options::InterfaceInfo::Type) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.

Data descriptors defined here:
chain
chain_id
type

Data and other attributes defined here:
Type = <class 'rosetta.protocols.ligand_docking.ligand_options.InterfaceInfo.Type'>
is_interface = Type.is_interface
near_interface = Type.near_interface
non_interface = Type.non_interface

 
Functions
       
check_all_ligand_atoms(...) method of builtins.PyCapsule instance
check_all_ligand_atoms(ligand_interface_residue : rosetta.core.conformation.Residue, potential_interface_vector : rosetta.numeric.xyzVector_double_t, cutoff : float) -> bool
check_neighbor_ligand_atom(...) method of builtins.PyCapsule instance
check_neighbor_ligand_atom(ligand_interface_residue : rosetta.core.conformation.Residue, potential_interface_vector : rosetta.numeric.xyzVector_double_t, cutoff : float) -> bool
is_interface_vector(...) method of builtins.PyCapsule instance
is_interface_vector(questionable_vector : rosetta.numeric.xyzVector_double_t, ligand_vector : rosetta.numeric.xyzVector_double_t, cutoff_squared : float) -> bool