{"id":24811,"library":"vina","title":"Vina - Python interface to AutoDock Vina","description":"vina provides a Python interface to AutoDock Vina, a widely used tool for molecular docking and virtual screening. Current version: 1.2.7, release cadence: irregular, last update 2023.","status":"active","version":"1.2.7","language":"python","source_language":"en","source_url":"https://github.com/radifar/vina","tags":["molecular-docking","autodock-vina","cheminformatics"],"install":[{"cmd":"pip install vina","lang":"bash","label":"Install from PyPI"}],"dependencies":[{"reason":"Required for docking calculations; vina calls the Vina executable under the hood.","package":"autodock-vina (binary)","optional":false}],"imports":[{"note":"Correct import for the main docking class.","wrong":"","symbol":"Vina","correct":"from vina import Vina"}],"quickstart":{"code":"from vina import Vino\n\nv = Vino(sf='vina')\nv.set_receptor('protein.pdbqt')\nv.set_ligand('ligand.pdbqt')\nv.compute_vina(center=[0, 0, 0], box_size=[20, 20, 20])\nv.write_poses('output.pdbqt', n_poses=5)\nprint('Docking complete')","lang":"python","description":"Basic molecular docking using Vina Python interface."},"warnings":[{"fix":"Install Vina binary (e.g., conda install -c bioconda autodock-vina) before using the Python package.","message":"The vina package requires the AutoDock Vina binary installed and accessible in PATH. The Python package is just a wrapper.","severity":"gotcha","affected_versions":"all"},{"fix":"Use tools like Meeko or AutoDockTools to convert ligands to PDBQT.","message":"Input files (protein, ligand) must be in PDBQT format. Standard PDB or SDF will cause errors.","severity":"gotcha","affected_versions":"all"},{"fix":"Use `from vina import Vino` for version 1.2.x. For compatibility, check `vina.__version__`.","message":"The class name changed from 'Vina' to 'Vino' in version 1.2.0. Older tutorials use `from vina import Vina`.","severity":"deprecated","affected_versions":">=1.2.0"}],"env_vars":null,"last_verified":"2026-05-01T00:00:00.000Z","next_check":"2026-07-30T00:00:00.000Z","problems":[{"fix":"Use `from vina import Vino` instead.","cause":"The class was renamed to Vino in vina 1.2.0.","error":"ImportError: cannot import name 'Vina' from 'vina'"},{"fix":"Install AutoDock Vina binary (e.g., via conda or download from official site) and ensure it's in PATH.","cause":"The Vina binary is missing from PATH.","error":"RuntimeError: Vina executable not found. Please install AutoDock Vina."},{"fix":"Convert your receptor and ligand to PDBQT using tools like prepare_receptor4.py and prepare_ligand4.py from AutoDockTools.","cause":"Input files must be in PDBQT format.","error":"ValueError: Invalid file format. Expected .pdbqt."}],"ecosystem":"pypi","meta_description":null,"install_score":null,"install_tag":null,"quickstart_score":null,"quickstart_tag":null}