Getting Started

This page details how to get started with mdadash.

Installation

mdadash can be installed in any of the following ways depending on your Python environment:

pip install mdadash

or

uv add mdadash

Run

Once the package is installed, it can be run using the mdadash command to start the dashboard server:

mdadash --topology <topology_filename> --trajectory <trajectory_url>

Example:

mdadash --topology start.gro --trajectory imd://localhost:8889

To see a list of all the available options:

mdadash -h

$ mdadash -h
usage: mdadash [-h] --topology TOPOLOGY --trajectory TRAJECTORY [--dashboard-port DASHBOARD_PORT] [--dashboard-host DASHBOARD_HOST]
               [--log-level {DEBUG,INFO,WARNING,ERROR,CRITICAL}] [-v]

Start the MDA Dashboard server

options:
  -h, --help            show this help message and exit
  --topology TOPOLOGY   Topology filepath (required)
  --trajectory TRAJECTORY
                        Trajectory URL (of the form 'imd://host:port') (required)
  --dashboard-port DASHBOARD_PORT
                        Port to run the dashboard server on (default: 8000)
  --dashboard-host DASHBOARD_HOST
                        Host address to bind dashboard server to (default: 127.0.0.1)
  --log-level {DEBUG,INFO,WARNING,ERROR,CRITICAL}
                        Set the logging level (default: INFO)
  -v, --version         Show the dashboard version and exit

Dashboard

The dashboard can be accessed by navigating to http://127.0.0.1:8000 from any browser.

Note: Both the dashboard host and post can be customized using the mdadash command line options.