CLI Usage¶
OpenBuilder can run without the GUI using a saved JSON configuration.
python app.py --no-gui config.json
🎯 Why use the CLI¶
The CLI mode is useful for:
- Repeating a previous build
- Quickly swapping proteins
- Automating workflows
- Running batch simulations
🔁 Typical Workflow¶
1. Create a configuration via GUI¶
streamlit run app.py
Build your system once. This generates a project folder with a config.json.
2. Re-run using CLI¶
python app.py --no-gui outputs/OpenBuilder-xxxx/config.json
✏️ Editing configurations¶
You can modify config.json to:
- Change protein files
- Adjust membrane composition
- Modify box size or number of systems
This enables fast iteration without reopening the GUI.
📦 Output¶
The CLI produces the same outputs as the GUI:
- Project folder in
outputs/ - ZIP archive in
downloads/ - Full reproducibility via
config.json