systems

MeasuredSystem

Subclass of System that requires a non-null measurement attribute.

ProteinLigandComplex

A system with at least one protein and one ligand

System

System objects host one or more MolecularComponent objects, and, optionally, a measurement.

Parameters

Name Type Description Default
components Iterable[MolecularComponent] Molecular entities defining this system required
measurement Union[None, BaseMeasurement] Optional measurement for this system. None
strict bool Whether to perform sanity checks (default) or not. True

name: str (property, readonly)

Generates a readable name out of the components names

weight: float (property, readonly)

Calculate the molecular weight of the system

Note: This is just an example on how/why this level of abstraction can be useful.


Last update: April 24, 2020