molecupy.structures.complexes (Complexes)

Contains classes pertaining to complexes and multi-chain assemblies.

class molecupy.structures.complexes.Complex(complex_id, complex_name, *chains)[source]

Base class: ResiduicStructure

Represents complexes of multiple Chain objects.

Parameters:
  • complex_id (str) – The complex’s unique ID.
  • complex_name (str) – The complex’s name.
  • *chains – The chains to create the complex from.
complex_id()[source]

Returns the complex’s ID.

Return type:str
complex_name(complex_name=None)[source]

Returns or sets the complex’s name.

Parameters:complex_name (str) – If given, the complex’s name will be set to this.
Return type:str
chains()[source]

Returns the Chain objects in this complex.

Returns:set of Chain objects
model()[source]

Returns the Model that the complex inhabits.

Return type:Model
add_chain(chain)[source]

Adds a Chain to the structure.

Parameters:chain (Chain) – The chain to add.
remove_chain(chain)[source]

Adds a Chain to the structure.

Parameters:chain (Chain) – The chain to add.