Ligora

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.