rosetta.core.scoring.carbohydrates
index
(built-in)

Bindings for core::scoring::carbohydrates namespace

 
Classes
       
builtins.object
CHIDihedralSamplingData
CHIEnergyFunction

 
class CHIDihedralSamplingData(builtins.object)
    Struct for CHI-based dihedral sampling.
 
  Methods defined here:
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.carbohydrates.CHIDihedralSamplingData) -> NoneType
__new__(*args, **kwargs) from builtins.type
Create and return a new object.  See help(type) for accurate signature.

Data descriptors defined here:
angles
linkage_type
probabilities
step_size

 
class CHIEnergyFunction(builtins.object)
    This is an implementation of the "CarboHydrate Intrinsic" (CHI) energy function developed by Woods Lab.
The Gaussian parameters for the function depend on whether the glycosidic bond in question is a phi or psi angle.
The parameters further depend on if the phi angles are at alpha or beta linkages and on if the psi angles are at
->2-axial, ->3-equatorial, or ->4-axial OR ->2-equatorial, ->3-axial, or ->4-equatorial linkages.
The function has not been developed for ->6 linkages (with omega angles).
 
  Methods defined here:
__call__(...) from builtins.PyCapsule
__call__(self : rosetta.core.scoring.carbohydrates.CHIEnergyFunction, type : rosetta.core.chemical.carbohydrates.LinkageType, x : float) -> float
__init__(...) from builtins.PyCapsule
__init__(rosetta.core.scoring.carbohydrates.CHIEnergyFunction) -> 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.core.scoring.carbohydrates.CHIEnergyFunction,  : rosetta.core.scoring.carbohydrates.CHIEnergyFunction) -> rosetta.core.scoring.carbohydrates.CHIEnergyFunction
evaluate_derivative(...) from builtins.PyCapsule
evaluate_derivative(self : rosetta.core.scoring.carbohydrates.CHIEnergyFunction, type : rosetta.core.chemical.carbohydrates.LinkageType, x : float) -> float
get_chi_sampling_data(...) from builtins.PyCapsule
get_chi_sampling_data(self : rosetta.core.scoring.carbohydrates.CHIEnergyFunction, type : rosetta.core.chemical.carbohydrates.LinkageType) -> rosetta.core.scoring.carbohydrates.CHIDihedralSamplingData
sampling_data_setup(...) from builtins.PyCapsule
sampling_data_setup(*args, **kwargs)
Overloaded function.
 
1. sampling_data_setup(rosetta.core.scoring.carbohydrates.CHIEnergyFunction) -> bool
 
2. sampling_data_setup(self : rosetta.core.scoring.carbohydrates.CHIEnergyFunction, type : rosetta.core.chemical.carbohydrates.LinkageType) -> bool
setup_for_sampling(...) from builtins.PyCapsule
setup_for_sampling(*args, **kwargs)
Overloaded function.
 
1. setup_for_sampling(rosetta.core.scoring.carbohydrates.CHIEnergyFunction) -> NoneType
 
Sets up CHI sampling data
 
2. setup_for_sampling(self : rosetta.core.scoring.carbohydrates.CHIEnergyFunction, step_size : float) -> NoneType
 
Sets up CHI sampling data

 
Functions
       
read_Gaussian_parameters_from_database_file(...) method of builtins.PyCapsule instance
read_Gaussian_parameters_from_database_file(filename : str) -> rosetta.std.map_char_utility_vector1_double_std_allocator_double_t
 
Return a table of Gaussian parameters read from a database file.