Metadata-Version: 2.4
Name: dna-electrons
Version: 0.2.1
Summary: Compute total electrons for DNA sequences with FASTA parsing and Biopython integration.
Author: Yash Munnalal Gupta
License: MIT License
        
        Copyright (c) 2025 Yash Munnalal Gupta
        
        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 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
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        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
        SOFTWARE.
        
Project-URL: Homepage, https://github.com/yashmgupta/dna-electrons
Project-URL: Issues, https://github.com/yashmgupta/dna-electrons/issues
Project-URL: Repository, https://github.com/yashmgupta/dna-electrons
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Python: >=3.8
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: biopython>=1.80
Dynamic: license-file

# dna-electrons

Compute total electrons for DNA sequences with toggles for backbone and phosphate charges.
Now includes **FASTA parsing** and **Biopython** integration.


## Install (from source)

```bash
git clone https://github.com/yashmgupta/dna-electrons.git
cd dna-electrons
python -m venv .venv && source .venv/bin/activate  # on Windows: .venv\Scripts\activate
pip install -U pip build
pip install -e .
```

## CLI

```bash
dna-electrons --seq ATGCAT --double --include-backbone --include-charge
dna-electrons --fasta sequences.fasta --output csv > results.csv
```

## Python API

```python
from dna_electrons import compute_electrons
from dna_electrons.io import compute_from_fasta

res = compute_electrons("ATGCAT", double_stranded=True, include_backbone=True, include_phosphate_charge=True)
for rec_id, r in compute_from_fasta("sequences.fasta", double_stranded=True):
    print(rec_id, r.total, r.breakdown)
```

## Contributing

- Run tests: `pytest -q`
- Lint (optional): add your preferred linter/formatter.

## License

MIT © 2025 {Yash Munnalal Gupta}
