Ligora
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Details for Ligora
Package name
- ligora
License
- MIT
Last updated
- 9 September 2026 - latest/stable
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Molecular analysis workstation — PLIP contacts, Vina docking, live RCSB/PubChem/ChEMBL data
Ligora is a molecular analysis workstation for protein-ligand interaction analysis, molecular docking, and computational chemistry workflows — built entirely on open data sources and open engines.
Features:
- Open and visualize PDB, mmCIF, mol2, SDF/MOL, XYZ, GRO and PDBQT files
- Real protein-ligand contact analysis via PLIP (hydrogen bonds, hydrophobic, salt bridges, pi-stacking, metal coordination)
- Molecular docking with AutoDock Vina (real poses + affinities)
- GROMACS minimization and short-MD snippets
- Pocket detection, DSSP secondary structure, 2D interaction diagrams
- Ligand identity resolution via PubChem, ChEMBL and CCD
- PDB-wide search, BindingDB enrichment, UniProt/AlphaFold context
- Batch analysis, pose comparison, water-network analysis, 2D ligand editor
- Scripting console and reproducibility manifests
Everything visible runs end-to-end against real data — no placeholders, no fakes.
| Revision | Channel | Version | Build | Commit | Download SBOM |
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The build and commit information is derived from build infrastructure records.
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