narupa.openmm.narupareporter module

Provide a reporter for OpenMM simulation to publish frames as a Narupa server.

class narupa.openmm.narupareporter.NarupaReporter(*, report_interval, frame_server)

Bases: object

Outputs a series of frames from a Simulation to a narupa server.

To use it, create a NarupaReporter, then add it to the Simulation’s list of reporters.

frame_server = FrameServer(address="localhost", port=54321)
frame_reporter = NarupaReporter(report_interval=5,frame_server=frame_server)
# Assume some OpenMM simulation already exists
simulation.reporters.add(frame_reporter)

Parameters:

• report_interval – Interval in frames between two reports.
• frame_server – Instance of a Narupa frame server.

describeNextReport(simulation)

report(simulation, state)