Install Nowobabel Converter - Translate Chemistry Data | Online Free DevTools by Hexmos
Translate chemistry data with obabel, converting between various formats like .mol, SMILES, and XYZ coordinates. Generate images and 3D models. Free online tool, no registration required.
obabel
Translate chemistry-related data. More information: https://open-babel.readthedocs.io/en/latest/Command-line_tools/babel.html.
- Convert a .mol file to XYZ coordinates:
obabel {{path/to/file.mol}} -O {{path/to/output_file.xyz}}
- Convert a SMILES string to a 500x500 picture:
obabel -:"{{SMILES}}" -O {{path/to/output_file.png}} -xp 500
- Convert a file of SMILES string to separate 3D .mol files:
obabel {{path/to/file.smi}} -O {{path/to/output_file.mol}} --gen3D -m
- Render multiple inputs into one picture:
obabel {{path/to/file1 path/to/file2 ...}} -O {{path/to/output_file.png}}