Command reference¶
DROPPS 1.0 registers 28 commands. The option blocks on these pages are generated directly from the packaged argument parsers, preventing the website from drifting away from the command-line interface.
Use dps help commands for the same catalog in a terminal.
Build a simulation system¶
Create molecular models, pack a box, and compile the run input.
Run or recompute a simulation¶
Integrate a trajectory, resume a run, or recompute saved observables.
Inspect and convert files¶
Check inputs, create selections, process trajectories, and convert formats.
Analyze structure and contacts¶
Measure conformations, contacts, correlations, and assemblies.
Analyze phase behavior and transport¶
Measure density, molecular exchange, and motion.
CLI infrastructure¶
Commands that provide command-line discovery and support functions.