Mercurial > repos > bimib > cobraxy
view COBRAxy/docs/tools/export-metabolic-model.md @ 547:73f2f7e2be17 draft
Uploaded
| author | francesco_lapi |
|---|---|
| date | Tue, 28 Oct 2025 10:44:07 +0000 |
| parents | fcdbc81feb45 |
| children |
line wrap: on
line source
# Export Metabolic Model Convert tabular data into COBRA metabolic model. ## Overview Export Metabolic Model converts structured tabular data (CSV/TSV) into functional COBRA models in SBML, JSON, MATLAB, or YAML formats. **Input**: Tabular model data (CSV/TSV) **Output**: SBML/JSON/MAT/YAML model files ## Galaxy Interface In Galaxy: **COBRAxy → Export Metabolic Model** 1. Upload tabular model data file 2. Select output format (SBML/JSON/MAT/YAML) 3. Click **Run tool** ## Command-line console ```bash exportMetabolicModel \ --input model_data.csv \ --format sbml \ --output custom_model.xml \ --out_log conversion.log ``` ## Parameters | Parameter | Flag | Description | |-----------|------|-------------| | Input File | `--input` | Tabular file (CSV/TSV) with model data | | Output Format | `--format` | Model format: sbml, json, mat, yaml | | Output File | `--output` | Output model file path | | Output Log | `--out_log` | Log file | ## Input Format Required columns: ```csv ReactionID,Formula,GPR,lower_bound,upper_bound,ObjectiveCoefficient,InMedium,TranslationIssues R00001,A + B -> C + D,GENE1 or GENE2,-1000.0,1000.0,0.0,FALSE, EX_glc_e,glc_e <->,-,-1000.0,1000.0,0.0,TRUE, ``` **File Format Notes:** - Use **comma-separated** (CSV) or **tab-separated** (TSV) - First row must contain column headers - Required columns: ReactionID, Formula, lower_bound, upper_bound - Optional columns: GPR, ObjectiveCoefficient, InMedium, Pathway_1, Pathway_2 ## Reaction Formula Syntax ``` # Irreversible A + B -> C + D # Reversible A + B <-> C + D # With stoichiometry 2 A + 3 B -> 1 C + 4 D ``` ## GPR Rule Syntax ``` # Single gene GENE1 # Alternative genes (OR) GENE1 or GENE2 # Required complex (AND) GENE1 and GENE2 # Nested logic (GENE1 and GENE2) or GENE3 ``` ## Output Formats - **SBML**: XML standard, maximum compatibility - **JSON**: COBRApy native format - **MATLAB**: COBRA Toolbox compatibility - **YAML**: Human-readable format ## Examples ### Basic Export ```bash exportMetabolicModel --input model.csv \ --format sbml \ --output model.xml \ --out_log conversion.log ``` ## Troubleshooting | Error | Solution | |-------|----------| | "Formula parsing failed" | Check reaction formula syntax | | "Model infeasible" | Review bounds and exchange reactions | ## See Also - [Import Metabolic Model](reference/import-metabolic-model) - [RAS to Bounds](tools/ras-to-bounds) - [Flux Simulation](tools/flux-simulation)
