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README.md

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bIOINFORMATICS @WUST
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# Installation
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git clone https://github.com/Karo555/needleman-wunsch.git <br>
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cd needleman-wunsch-aligner <br>
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pip install -e .[html,pdf]
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`git clone https://github.com/Karo555/needleman-wunsch.git` <br>
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`cd needleman-wunsch-aligner` <br>
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`pip install -e .[html,pdf]`
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# Usage
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1. Basic DNA alignment (manual input) <br>
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needleman-wunsch --manual
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`needleman-wunsch --manual`
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You’ll be prompted to enter:
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- Sequence 1 ID
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- Sequence 2
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2. FASTA file input <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --output reports/alignment.txt <br>
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --output reports/alignment.txt` <br>
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data/seq1.fasta and data/seq2.fasta each contain exactly one record. <br>
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The text report is saved to reports/alignment.txt <br>
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3. Custom scoring. Override match, mismatch, and gap scores. <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --match 2 --mismatch -1 --gap -2
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --match 2 --mismatch -1 --gap -2`
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4. Enumerate all optimal alignments <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --all-paths --output reports/all_paths.txt
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --all-paths --output reports/all_paths.txt`
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Lists every equally optimal alignment and writes them to reports/all_paths.txt.
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5. Export raw DP matrix as CSV <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --matrix-out reports/matrix.csv
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --matrix-out reports/matrix.csv`
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The full (N+1)×(M+1) score matrix is saved in comma‐separated format for downstream analysis
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6. Structured JSON output <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --json reports/alignment.json
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --json reports/alignment.json`
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Produces a JSON file containing: <br>
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All alignments with per-path statistics
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7. Heatmap visualization <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --plot plots/heatmap.png
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --plot plots/heatmap.png`
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Renders the DP matrix as a heatmap PNG saved to plots/heatmap.png.
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8. HTML summary report <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --plot plots/heatmap.png --html reports/alignment.html
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --plot plots/heatmap.png --html reports/alignment.html`
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Generates a standalone HTML page embedding:
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The heatmap image (correctly linked)
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Open it in your browser via:
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python3 -m http.server 8000
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`python -m http.server 8000`
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then visit http://localhost:8000/reports/alignment.html
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then visit `http://localhost:8000/reports/alignment.html`
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9. PDF summary report <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --plot plots/heatmap.png --pdf reports/alignment.pdf
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --plot plots/heatmap.png --pdf reports/alignment.pdf`
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10. one shot <br>
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needleman-wunsch --input data/seq1.fasta data/seq2.fasta --all-paths --match 2 --mismatch -1 --gap -2 --output reports/alignment.txt --matrix-out reports/matrix.csv --json reports/alignment.json --plot plots/heatmap.png --html reports/alignment.html --pdf reports/alignment.pdf
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`needleman-wunsch --input data/seq1.fasta data/seq2.fasta --all-paths --match 2 --mismatch -1 --gap -2 --output reports/alignment.txt --matrix-out reports/matrix.csv --json reports/alignment.json --plot plots/heatmap.png --html reports/alignment.html --pdf reports/alignment.pdf`
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reports/alignment.txt (text report)<br>
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reports/matrix.csv (raw DP matrix)<br>

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