Mercurial > repos > bimib > cobraxy
view COBRAxy/docs/tools/README.md @ 542:fcdbc81feb45 draft
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| author | francesco_lapi |
|---|---|
| date | Sun, 26 Oct 2025 19:27:41 +0000 |
| parents | fd53d42348bd |
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Complete reference for all COBRAxy tools with parameters, examples, and usage guidelines. ## Available Tools | Tool | Purpose | Input | Output | |------|---------|--------|--------| | [Import Metabolic Model](tools/import-metabolic-model) | Import and extract model components | SBML/JSON/MAT/YAML model | Tabular model data | | [Export Metabolic Model](tools/export-metabolic-model) | Export tabular data to model format | Tabular model data | SBML/JSON/MAT/YAML model | | [RAS Generator](tools/ras-generator) | Compute reaction activity scores | Gene expression + GPR rules | RAS values | | [RPS Generator](tools/rps-generator) | Compute reaction propensity scores | Metabolite abundance | RPS values | | [MAREA](tools/marea) | Statistical pathway enrichment | RAS/RPS data | Enriched maps + statistics | | [RAS to Bounds](tools/ras-to-bounds) | Apply RAS constraints to model | RAS + SBML model | Constrained bounds | | [Flux Simulation](tools/flux-simulation) | Sample metabolic fluxes | Constrained model | Flux distributions | | [Flux to Map](tools/flux-to-map) | Visualize flux data on maps | Flux samples + statistical comparison | Color-coded pathway maps | | [MAREA Cluster](tools/marea-cluster) | Cluster analysis | Expression/RAS/RPS/flux data | Sample clusters + validation plots | ## Analysis Workflows **Enrichment Analysis**: Gene Expression → RAS Generator → MAREA → Pathway Maps **Flux Simulation**: Gene Expression → RAS Generator → RAS to Bounds → Flux Simulation → Flux to Map ## Usage Patterns ### Galaxy Integration All tools include Galaxy XML wrappers for web-based usage through the Galaxy interface. ### Command Line Usage ```bash # Basic pattern for all tools tool_name -td $(pwd) [tool-specific options] # Example: Generate RAS scores ras_generator -td $(pwd) -in expression.tsv -ra ras_output.tsv -rs ENGRO2 ``` ## Parameter Reference ### File Format Requirements **Gene Expression Files** - Format: TSV (tab-separated values) - Structure: Genes (rows) × Samples (columns) - First column: Gene IDs (HGNC, Ensembl, etc.) - Subsequent columns: Expression values **Metabolite Files** - Format: TSV (tab-separated values) - Structure: Metabolites (rows) × Samples (columns) - First column: Metabolite names - Subsequent columns: Abundance values **Model Files** - Format: SBML (.xml) or tabular rules (.tsv) - Content: Metabolic network with GPR rules ### Built-in Models | Model | Organism | Reactions | Genes | Best For | |-------|----------|-----------|-------|----------| | **ENGRO2** | Human | ~500 | ~500 | Focused analysis, faster computation | | **RECON3D** | Human | ~10,000 | ~2,000 | Comprehensive metabolism | ## Tool Selection Guide ### Choose Your Analysis Path **For Pathway Enrichment** 1. [RAS Generator](tools/ras-generator) → Generate activity scores 2. [RPS Generator](tools/rps-generator) → Generate propensity scores (optional) 3. [MAREA](tools/marea) → Statistical analysis and visualization **For Flux Analysis** 1. [RAS Generator](tools/ras-generator) → Generate activity scores 2. [RAS to Bounds](tools/ras-to-bounds) → Apply constraints 3. [Flux Simulation](tools/flux-simulation) → Sample fluxes 4. [Flux to Map](tools/flux-to-map) → Create visualizations **For Model Exploration** 1. [Import Metabolic Model](tools/import-metabolic-model) → Extract model info 2. Analyze model structure and gene coverage **For Model Creation** 1. Create/edit tabular model data 2. [Export Metabolic Model](tools/export-metabolic-model) → Create SBML/JSON/MAT/YAML model **For Sample Classification** 1. Generate RAS/RPS scores 2. [MAREA Cluster](tools/marea-cluster) → Cluster samples ## Troubleshooting ### Common Issues Across Tools **Model Issues** - Verify model file format and gene ID consistency - Check gene ID mapping between data and model - Use built-in models to avoid compatibility issues ### Getting Help For tool-specific issues: 1. Check individual tool documentation 2. Review parameter requirements and formats 3. Test with smaller datasets first 4. Consult [troubleshooting guide](/troubleshooting.md) ## Contributing Help improve tool documentation: - Report unclear instructions - Suggest additional examples - Contribute usage patterns - Fix documentation errors Each tool page includes detailed parameter descriptions, examples, and troubleshooting tips. Select a tool from the sidebar to get started!
