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 ≥ 1.0.7
- molass_legacy ≥ 1.6.15
1 maintainer
Metadata
1 maintainer
Release files for molass-gui 0.4.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| molass_gui-0.4.3.tar.gz | 61.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| molass_gui-0.4.3-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 123.6 kB
Release files / molass_gui-0.4.3.tar.gz
| Download URL | molass_gui-0.4.3.tar.gz |
|---|---|
| Size | 61.2 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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Yes |
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twine/7.0.0 CPython/3.13.14
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Transparency logRelease files / molass_gui-0.4.3-py3-none-any.whl
| Download URL | molass_gui-0.4.3-py3-none-any.whl |
|---|---|
| Size | 62.4 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
981c7bdafdd3910442206e0fd01582db243e86e3fab408404662d4b2e4f61140
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BLAKE2b-256 checksum How to use checksums |
e8defeae3b5932597b8bc907ee82da5d07371859d3fab338bc44ab5a3da0412b
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| Upload date | |
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
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PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
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