Compute total electrons for DNA sequences with FASTA parsing and Biopython integration.
Project description
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)
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
dna-electrons --seq ATGCAT --double --include-backbone --include-charge
dna-electrons --fasta sequences.fasta --output csv > results.csv
Python API
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}
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