Path D - Module 48: Scalability & Heavy Trajectories

Process multi-gigabyte membrane simulations. In this module, you will learn to use ChunkedExecutor for high-throughput biophysics.

import molsysmt as msm
from molsysmt import systems
it = msm.Iterator(
    systems['POPC membrane']['popc_membrane.dcd'], chunk=20, coordinates=True
)
print("Big Data pipeline ready.")