{"library":"openbabel-wheel","title":"OpenBabel (unofficial wheel distribution)","description":"Unofficial PyPI distribution of OpenBabel (version 3.1.1.23), providing prebuilt wheels for Python ≥3.8. OpenBabel is a chemical toolbox for interconverting chemical file formats, molecular modeling, and cheminformatics. This package is useful when building from source is impractical.","language":"python","status":"active","last_verified":"Mon Apr 27","install":{"commands":["pip install openbabel-wheel"],"cli":{"name":"obabel","version":"No input file or format spec or possibly a misplaced option."}},"imports":["import openbabel","from openbabel import openbabel\nmol = openbabel.OBMol()"],"auth":{"required":false,"env_vars":[]},"quickstart":{"code":"import openbabel\n# Create a molecule\nmol = openbabel.OBMol()\n# Build from SMILES\nconv = openbabel.OBConversion()\nconv.SetInAndOutFormats('smi', 'mol')\nconv.ReadString(mol, 'CCO')\nprint('Formula:', mol.GetFormula())","lang":"python","description":"Basic usage: create an OBMol, read SMILES, print formula.","tag":null,"tag_description":null,"last_tested":null,"results":[]},"compatibility":null}