Metadata-Version: 2.3
Name: edrvis
Version: 0.1.0
Summary: Visualise GROMACS edr files in the terminal.
Keywords: gromacs,molecular-dynamics,tui,visualisation
Author: jamesmeadows7
Author-email: jamesmeadows7 <james.w.meadows@durham.ac.uk>
License: MIT License
         
         Copyright (c) 2026 James Meadows
         
         Permission is hereby granted, free of charge, to any person obtaining a copy
         of this software and associated documentation files (the "Software"), to deal
         in the Software without restriction, including without limitation the rights
         to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
         copies of the Software, and to permit persons to whom the Software is
         furnished to do so, subject to the following conditions:
         
         The above copyright notice and this permission notice shall be included in all
         copies or substantial portions of the Software.
         
         THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
         IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
         FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
         AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
         LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
         OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
         SOFTWARE.
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Dist: numpy>=2.4.4
Requires-Dist: pyedr>=0.8.0
Requires-Dist: textual>=8.2.4
Requires-Dist: textual-plotext>=1.0.1
Requires-Python: >=3.12
Project-URL: Repository, https://github.com/jamesmeadows7/edrvis
Description-Content-Type: text/markdown

# edrvis

A terminal user interface for visualising [GROMACS](https://www.gromacs.org/) edr files.
Made using [pyedr](https://github.com/MDAnalysis/panedr) and [textual](https://github.com/Textualize/textual).

<div style="display: flex; gap: 10px;">
  <img width="49%" src="https://github.com/user-attachments/assets/7e08d169-257f-4243-9ffe-9e2e472984c6" alt="edrvis-light" />
  <img width="49%" src="https://github.com/user-attachments/assets/10b39de3-8178-44bc-91e5-072860314057" alt="edrvis-dark" />
</div>

## Usage
```bash
edrvis path/to/file.edr
```

### Keyboard Actions

| Key | Action |
|-----|--------|
| `j` / `k` | Navigate energy quantities |
| `d` | Toggle dark mode |
| `q` | Quit |


## Development

```bash
git clone https://github.com/jamesmeadows7/edrvis.git
cd edrvis
uv sync
uv run edrvis path/to/file.edr
```


## Roadmap

- [ ] Add tests
- [ ] Compute block average, error, RMSD and total drift
