Mercurial > repos > bimib > cobraxy
diff COBRAxy/docs/tools/README.md @ 547:73f2f7e2be17 draft
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| author | francesco_lapi |
|---|---|
| date | Tue, 28 Oct 2025 10:44:07 +0000 |
| parents | fcdbc81feb45 |
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--- a/COBRAxy/docs/tools/README.md Mon Oct 27 12:33:08 2025 +0000 +++ b/COBRAxy/docs/tools/README.md Tue Oct 28 10:44:07 2025 +0000 @@ -2,18 +2,17 @@ ## 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 | - +| Galaxy Tool | Python script | Purpose | Input | Output | +|------|---------|---------|--------|--------| +| [Import Metabolic Model](tools/import-metabolic-model) | importMetabolicModel | Import and extract model components | SBML/JSON/MAT/YAML model | Tabular model data | +| [Export Metabolic Model](tools/export-metabolic-model) | exportMetabolicModel |Export tabular data to model format | Tabular model data | SBML/JSON/MAT/YAML model | +| [Expression2RAS](tools/ras-generator) | ras_generator | Compute reaction activity scores | Gene expression + GPR rules | RAS values | +| [Expression2RPS](tools/rps-generator) | rps_generator | Compute reaction propensity scores | Metabolite abundance | RPS values | +| [Metabolic Reaction Enrichment Analysis](tools/marea) | marea | Statistical pathway enrichment | RAS/RPS data | Enriched maps + statistics | +| [RAS2Bounds](tools/ras-to-bounds) | ras_to_bounds | Apply RAS constraints to model | RAS + SBML model | Constrained bounds | +| [Flux Simulation](tools/flux-simulation) | flux_simulation | Sample metabolic fluxes | Constrained model | Flux distributions | +| [Metabolic Flux Enrichment Analysis](tools/flux-to-map) | flux_to_map | Visualize flux data on maps | Flux samples + statistical comparison | Color-coded pathway maps | +| [Cluster Analysis](tools/marea-cluster) | marea_cluster | Cluster analysis | Expression/RAS/RPS/flux data | Sample clusters + validation plots | ## Analysis Workflows @@ -29,39 +28,12 @@ ### Command Line Usage ```bash # Basic pattern for all tools -tool_name -td $(pwd) [tool-specific options] +tool_name [tool-specific options] # Example: Generate RAS scores -ras_generator -td $(pwd) -in expression.tsv -ra ras_output.tsv -rs ENGRO2 +ras_generator -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 @@ -77,20 +49,10 @@ 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 @@ -98,7 +60,6 @@ **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 @@ -106,7 +67,7 @@ 1. Check individual tool documentation 2. Review parameter requirements and formats 3. Test with smaller datasets first -4. Consult [troubleshooting guide](/troubleshooting.md) +4. Consult [troubleshooting guide](troubleshooting) ## Contributing @@ -116,4 +77,4 @@ - 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! \ No newline at end of file +Each tool page includes detailed parameter descriptions, examples, and troubleshooting tips.
