nanover.app.imd_app module

Module providing an implementation of an NanoVer iMD application, for publishing simulations and trajectories for consumption by clients that can be interacted with in real-time through biasing potentials.

class nanover.app.imd_app.NanoverImdApplication(server: NanoverServer, discovery: DiscoveryServer | None = None, name: str | None = None)

Bases: NanoverFrameApplication

Application-level class for implementing a NanoVer iMD server, something that publishes FrameData that can be consumed, e.g. simulation trajectories, and can received interactive forces in real-time, allowing the simulation to be biased.

>>> with NanoverImdApplication.basic_server() as app: # fire up interactive molecular dynamics
...     with NanoverImdClient() as client:
...         client.interactions # print any active interactions (in this case, none).
{}

DEFAULT_SERVER_NAME: str = 'NanoVer iMD Server'

property imd: ImdStateWrapper

The iMD service attached to this application. Use it to access interactive forces sent by clients, so they can be applied to a simulation.

Returns:

An ImdStateWrapper for tracking interactions.