obtautomer(1)

obtautomer1

Enumerate tautomer smiles and canonical tautomer smiles

Usage

obtautomer [-c] filename

Overview

Enumerates tautomer SMILES and canonical tautomer SMILES.

Options

-c

Canonical tautomer only

Examples

obtautomer molecule.smi > tautomers.smi

Enumerates tautomers for molecule.smi and writes them to tautomers.smi

Releases

5 releases since Debian 10 (Buster); the text changed 2 times.

  1. 10
  2. 11–13
  3. Arch

-c since Arch Linux 2026-11-01.

Authors

Open Babel is developed by a cast of many, including current maintainers Geoff Hutchison, Chris Morley, Michael Banck, and innumerable others who have contributed fixes and additions. For more contributors to Open Babel, see <https://openbabel.org/docs/Introduction/thanks.html>

From openbabel 3.2.1-1 in Arch Linux 2026-11-01. Parsed by carta from the page's mdoc source.