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tldr/pages/linux/obabel.md
Acetylsalicylsaeure 3025f8c215
obabel: add page (#10096)
* obabel: add page
---------

Co-authored-by: Jack Lin <blueskyson1401@gmail.com>
2023-04-23 17:24:41 +05:30

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# obabel
> Translate chemistry-related data.
> More information: <https://openbabel.org/wiki/Main_Page>.
- 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}}`