Metadata-Version: 2.4
Name: MolarVerse-PQViewer
Version: 0.2.1
Summary: Interactive molecular structure and trajectory viewing for PQ.
License-Expression: MIT
Project-URL: Repository, https://github.com/MolarVerse/PQViewer
Project-URL: Documentation, https://molarverse.github.io/PQViewer/
Project-URL: Changelog, https://github.com/MolarVerse/PQViewer/blob/main/CHANGELOG.md
Project-URL: Issues, https://github.com/MolarVerse/PQViewer/issues
Classifier: Development Status :: 4 - Beta
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.12
Description-Content-Type: text/markdown
License-File: LICENSE
License-File: THIRD_PARTY_NOTICES.md
Requires-Dist: fastapi<1,>=0.115.12
Requires-Dist: numpy<3,>=2
Requires-Dist: PQAnalysis>=1.4.0
Requires-Dist: python-multipart<1,>=0.0.20
Requires-Dist: rich<16,>=13.9
Requires-Dist: rich-argparse<2,>=1.7
Requires-Dist: uvicorn<1,>=0.30
Provides-Extra: ase
Requires-Dist: ase<4,>=3.23; extra == "ase"
Provides-Extra: render
Requires-Dist: playwright<2,>=1.52; extra == "render"
Provides-Extra: jupyter
Requires-Dist: ipython<10,>=8; extra == "jupyter"
Provides-Extra: docs
Requires-Dist: furo<2027,>=2024.8.6; extra == "docs"
Requires-Dist: myst-parser<5,>=4; extra == "docs"
Requires-Dist: sphinx<9,>=8; extra == "docs"
Requires-Dist: sphinx-copybutton<1,>=0.5; extra == "docs"
Requires-Dist: sphinx-design<1,>=0.6; extra == "docs"
Provides-Extra: dev
Requires-Dist: ase<4,>=3.23; extra == "dev"
Requires-Dist: httpx2<3,>=2; extra == "dev"
Requires-Dist: pillow<13,>=11; extra == "dev"
Requires-Dist: pytest<9,>=8; extra == "dev"
Requires-Dist: pytest-cov<7,>=5; extra == "dev"
Dynamic: license-file

# <img src="docs/_static/pq-logo.png" alt="PQ logo" width="48"> PQViewer

Inspect molecular structures, trajectories, and periodic geometry in a desktop browser.

![SrTiO3 coordination polyhedra with the View inspector open](docs/assets/screenshots/viewer-workspace.png)

## Start

Use Python 3.12 or newer and a browser with WebGL 2.

```bash
python3 -m venv .venv
source .venv/bin/activate
python -m pip install MolarVerse-PQViewer
pqviewer trajectory.xyz
```

Replace the path with your file, or try the
[three-frame water example](https://molarverse.github.io/PQViewer/getting-started.html).

## Controls

| Control | Use |
| --- | --- |
| **View** | Representations, layers, and periodic display |
| **Analyze** | Atom properties, measurements, and trajectory plots |
| **Export** | Figures and source-validated recipes |

Follow the [visual guide](https://molarverse.github.io/PQViewer/viewer-guide.html),
or [open the web demo](https://molarverse.github.io/PQViewer/viewer/).
For cluster and home VPN use, follow [Remote access](https://molarverse.github.io/PQViewer/remote-access.html).

PQViewer is in public beta; file and Python interfaces may change before 1.0.
[Release notes](CHANGELOG.md) · [Citation](CITATION.cff) · [Contributing](CONTRIBUTING.md) ·
[MIT License](LICENSE) · [Third-party notices](THIRD_PARTY_NOTICES.md)
