Mercurial > repos > bimib > cobraxy
view COBRAxy/docs/tools/README.md @ 509:5956dcf94277 draft default tip
Uploaded
author | francesco_lapi |
---|---|
date | Wed, 01 Oct 2025 15:34:21 +0000 |
parents | 4ed95023af20 |
children |
line wrap: on
line source
# Tool| Tool | Purpose | Input | Output | |------|---------|--------|---------| | [RAS Generator](ras-generator.md) | Compute reaction activity scores | Gene expression + GPR rules | RAS values | | [RPS Generator](rps-generator.md) | Compute reaction propensity scores | Metabolite abundance | RPS values | | [MAREA](marea.md) | Statistical pathway enrichment | RAS/RPS data | Enriched maps + statistics | | [RAS to Bounds](ras-to-bounds.md) | Apply RAS constraints to model | RAS + SBML model | Constrained bounds | | [Flux Simulation](flux-simulation.md) | Sample metabolic fluxes | Constrained model | Flux distributions | | [Flux to Map](flux-to-map.md) | Visualize flux data on maps | Flux samples + statistical comparison | Color-coded pathway maps | | [Model Setting](metabolic-model-setting.md) | Extract model components | SBML/JSON/MAT/YML model | Tabular model data | | [Tabular to Model](tabular-to-model.md) | Create COBRA models | Tabular reaction data | SBML/JSON/MAT/YAML models | | [MAREA Cluster](marea-cluster.md) | Cluster analysis | Expression/RAS/RPS/flux data | Sample clusters + validation plots |ation Complete reference for all COBRAxy tools with parameters, examples, and usage guidelines. ## Available Tools | Tool | Purpose | Input | Output | |------|---------|--------|--------| | [RAS Generator](ras-generator.md) | Compute reaction activity scores | Gene expression + GPR rules | RAS values | | [RPS Generator](rps-generator.md) | Compute reaction propensity scores | Metabolite abundance | RPS values | | [MAREA](marea.md) | Statistical pathway enrichment | RAS/RPS data | Enriched maps + statistics | | [RAS to Bounds](ras-to-bounds.md) | Apply RAS constraints to model | RAS + SBML model | Constrained bounds | | [Flux Simulation](flux-simulation.md) | Sample metabolic fluxes | Constrained model | Flux distributions | | [Flux to Map](flux-to-map.md) | Visualize flux data on maps | Flux samples + statistical comparison | Color-coded pathway maps | | [Model Setting](metabolic-model-setting.md) | Extract model components | SBML/JSON/MAT/YML model | Tabular model data | | [MAREA Cluster](marea-cluster.md) | Cluster analysis | Expression/RAS/RPS/flux data | Sample clusters + validation plots | ## Common Parameters All tools share these basic parameters: - **`-td, --tool_dir`**: COBRAxy installation directory (required) - **`-in, --input`**: Input dataset file - **`-idop, --output_dir`**: Output directory for results - **`-rs, --rules_selector`**: Built-in model (ENGRO2, Recon, HMRcore) ## 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 ### 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 ``` ### Python API Usage ```python import tool_module # All tools accept argument lists args = ['-td', '/path/to/cobraxy', '-in', 'input.tsv', '-out', 'output.tsv'] tool_module.main(args) ``` ### Galaxy Integration All tools include Galaxy XML wrappers for web-based usage through the Galaxy interface. ## 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 | ~2,000 | ~500 | Focused analysis, faster computation | | **Recon** | Human | ~10,000 | ~2,000 | Comprehensive metabolism | | **HMRcore** | Human | ~5,000 | ~1,000 | Balanced coverage | ## Tool Selection Guide ### Choose Your Analysis Path **For Pathway Enrichment** 1. [RAS Generator](ras-generator.md) → Generate activity scores 2. [RPS Generator](rps-generator.md) → Generate propensity scores (optional) 3. [MAREA](marea.md) → Statistical analysis and visualization **For Flux Analysis** 1. [RAS Generator](ras-generator.md) → Generate activity scores 2. [RAS to Bounds](ras-to-bounds.md) → Apply constraints 3. [Flux Simulation](flux-simulation.md) → Sample fluxes 4. [Flux to Map](flux-to-map.md) → Create visualizations **For Model Exploration** 1. [Model Setting](metabolic-model-setting.md) → Extract model info 2. Analyze model structure and gene coverage **For Sample Classification** 1. Generate RAS/RPS scores 2. [MAREA Cluster](marea-cluster.md) → Cluster samples ## Troubleshooting ### Common Issues Across Tools **File Path Problems** - Use absolute paths when possible - Ensure all input files exist before starting - Check write permissions for output directories **File Issues** - Check file paths and permissions - Verify input file formats - Ensure sufficient disk space **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!