nanover.openmm.nanoverreporter module

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

class nanover.openmm.nanoverreporter.NanoverReporter(*, report_interval, frame_server)

Bases: object

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

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

Example

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

param report_interval:

Interval in frames between two reports.

param frame_server:

Instance of a NanoVer frame server.

describeNextReport(simulation)

report(simulation, state)