Metadata-Version: 2.4
Name: edrvis
Version: 0.3.0
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-Expression: MIT
License-File: LICENSE
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
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>


## Installation

As a standalone tool:
```bash
uv tool install edrvis
```

In a project environment:
```bash
uv add edrvis
```

## 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

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