molass-gui
Tkinter GUI for Molass — progressive SEC-SAXS analysis workflow.
Five-phase workflow
| Phase | Window | What happens |
|---|---|---|
| 1 Setup | Main window | Enter the data folder path |
| 2 Naive View | plot_compact with baseline |
Inspect raw data; enter number of components; click Decompose |
| 3 Quick Optimization View | plot_components (EGH) |
Review EGH decomposition; select column model; click Upgrade or Skip |
| 4 Upgraded View | plot_components (column model) |
Review upgraded decomposition; select method (BH/DE) and subprocess option; click Rigorous Optimization… |
| 5 Rigorous Optimization View | 4-panel live monitor | Rg curve computed → initial score drawn → optimization starts automatically; Terminate button available |
Installation
pip install molass-gui
Usage
molass-gui
Or during development (from the repository root):
py app.py
Requirements
- Python 3.9–3.14
- molass ≥ 1.0.5
- molass_legacy ≥ 1.6.13
1 maintainer
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