diff COBRAxy/docs/quickstart.md @ 492:4ed95023af20 draft

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author francesco_lapi
date Tue, 30 Sep 2025 14:02:17 +0000
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+# Quick Start Guide
+
+Get started with COBRAxy! This guide walks you through your first metabolic analysis.
+
+## Step 1: Verify Installation
+
+Test that COBRAxy is working:
+
+```bash
+# Check if tools are available
+ras_generator --help
+
+# Should display help text without errors
+```
+
+## Step 2: Download Sample Data
+
+Create a sample gene expression file:
+
+```bash
+# Create sample data
+cat > sample_expression.tsv << 'EOF'
+Gene_ID	Control_1	Control_2	Treatment_1	Treatment_2
+HGNC:5	8.5	9.2	15.7	14.3
+HGNC:10	3.2	4.1	8.8	7.9
+HGNC:15	7.9	8.2	4.4	5.1
+HGNC:25	12.1	13.5	18.2	17.8
+HGNC:30	6.3	7.1	11.5	10.8
+HGNC:55	14.2	15.8	22.1	21.3
+HGNC:80	5.7	6.4	2.8	3.2
+HGNC:100	9.8	10.5	16.7	15.9
+EOF
+```
+
+## Step 3: Generate Activity Scores
+
+Compute Reaction Activity Scores (RAS) from your gene expression:
+
+```bash
+# Generate RAS scores using built-in ENGRO2 model
+ras_generator -td $(pwd) \
+  -in sample_expression.tsv \
+  -ra ras_scores.tsv \
+  -rs ENGRO2
+
+# Check output
+head ras_scores.tsv
+```
+
+**Expected output**:
+```tsv
+Reactions	Control_1	Control_2	Treatment_1	Treatment_2
+R_HEX1	8.5	9.2	15.7	14.3
+R_PGI	7.9	8.2	4.4	5.1
+...
+```
+
+## Step 4: Create Pathway Visualizations
+
+Generate enriched pathway maps with statistical analysis:
+
+```bash
+# Create pathway maps with statistical analysis
+marea -td $(pwd) \
+  -using_RAS true \
+  -input_data ras_scores.tsv \
+  -choice_map ENGRO2 \
+  -gs true \
+  -idop pathway_maps
+
+# Check results
+ls pathway_maps/
+```
+
+**Expected output**: SVG files with colored pathway maps showing metabolic changes.
+
+## Step 5: View Results
+
+Open the generated pathway maps:
+
+```bash
+# Open SVG files in your browser or image viewer
+# Files will be in pathway_maps/ directory
+firefox pathway_maps/*.svg  # Linux
+open pathway_maps/*.svg     # macOS  
+```
+
+## What Just Happened?
+
+1. **RAS Generation**: Mapped gene expression to metabolic reactions using GPR rules
+2. **Statistical Analysis**: Identified significantly altered pathways between conditions
+3. **Visualization**: Created colored pathway maps highlighting metabolic changes
+
+## Next Steps
+
+### Learn More About the Analysis
+
+- **[Understanding RAS](tools/ras-generator.md)** - How activity scores are computed
+- **[MAREA Analysis](tools/marea.md)** - Statistical enrichment methods  
+- **[Data Flow](getting-started.md#analysis-workflows)** - Complete workflow overview
+
+### Try Advanced Features
+
+- **[Flux Sampling](tutorials/workflow.md#flux-simulation-workflow)** - Predict metabolic flux distributions
+- **[Python API](tutorials/python-api.md)** - Integrate into scripts and pipelines
+- **[Galaxy Interface](tutorials/galaxy-setup.md)** - Web-based analysis
+
+### Use Your Own Data
+
+- **[Data Formats](tutorials/data-formats.md)** - Prepare your expression data
+- **[Troubleshooting](troubleshooting.md)** - Common issues and solutions
+
+## Complete Example Pipeline
+
+Here's the full command sequence for reference:
+
+```bash
+# Set up
+cd /path/to/analysis/
+
+# Generate sample data (or use your own)
+cat > expression.tsv << 'EOF'
+[your gene expression data]
+EOF
+
+# Run analysis pipeline
+ras_generator -td /path/to/COBRAxy -in expression.tsv -ra ras.tsv -rs ENGRO2
+marea -td /path/to/COBRAxy -using_RAS true -input_data ras.tsv -choice_map ENGRO2 -gs true -idop maps
+
+# View results
+ls maps/*.svg
+```
+
+## Getting Help
+
+If something doesn't work:
+
+1. **Check Prerequisites**: Ensure COBRAxy is properly installed
+2. **Verify File Format**: Make sure your data is tab-separated TSV
+3. **Review Logs**: Look for error messages in the terminal output
+4. **Consult Guides**: [Troubleshooting](troubleshooting.md) and [Installation](installation.md)
+
+**Still stuck?** Ask for help in [GitHub Discussions](https://github.com/CompBtBs/COBRAxy/discussions).
+
+## Summary
+
+🎉 **Congratulations!** You've completed your first COBRAxy analysis. You now know how to:
+
+- ✅ Generate metabolic activity scores from gene expression
+- ✅ Create statistical pathway visualizations  
+- ✅ Interpret basic COBRAxy outputs
+
+Ready for more? Explore the [full documentation](/) to unlock COBRAxy's complete potential!
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