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Glossary#

The following table lists key terms used throughout QCrBox.

Term Description
API Client A Python client responsible for sending requests to and managing responses from the QCrBox registry.
Application A software application provided by QCrBox, such as Crystal Explorer or Olex2.
Application Container A (Docker) container in which an application runs, providing also a VNC server for interactive sessions.
Application Specification A YAML file containing metadata that configures an Application Container to run a specific application.
Client An instance of QCrBoxClient that manages the execution and management of an Application and command requests, by the user, within an Application Container.
Calculation A representation of a running or completed job.
Command A specific functionality or operation provided by an Application available to users.
Command Specification A section within the Application Specification YAML file that defines the commands an Application exposes to QCrBox.
Dataset A collection of data files grouped together.
Data File An individual file, typically a .CIF file.
Data and Object Store The storage system for persistent data, such as datasets, data files, and metadata about applications and commands. Currently, this is provided by NATS.
Interactive Session A command that launches a GUI interface for user interaction.
Non-interactive Session A command that runs without requiring user interaction.
Registry The central registry database and message bus that registers and launches applications and their commands in response to user requests.
Server An instance of QCrBoxServer responsible for managing the registry.
Workflow A sequence of commands executed in a specific order with designated datasets.