Viewing Trajectories

A Session can broadcast both molecular dynamics and pre-recorded trajectories. These trajectories can be read in through several packages, including MDAAnalysis and MDTraj.

from MDAnalysis import Universe

from narupatools.app import Session
from narupatools.frame import TrajectoryPlayback

# Import a DL_POLY history file using MDAnalysis
# Replace this with whichever method you would like to create an MDAnalysis Universe from your file
trajectory = Universe("HISTORY", topology_format="HISTORY", guess_bonds=True)

# Create a trajectory playback
playback = TrajectoryPlayback(trajectory=trajectory)

# Make the trajectory loop
playback.looping = True

# Make the trajectory run at 5 frames per second
playback.playback_rate = 5

with Session(playback) as session:
    print(f"Session started on port {session.port}")

    # Uncomment this to start an infinite loop while running the server
    # session.start_loop()

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