obdistgen(1)

obdistgen1

Generate rough 3d coordinates for smiles (or other 0d files)

Usage

obdistgen filename

Overview

Generates SDFs with distance geometry.

Environment

OB_RANDOM_SEED

Seed for pseudo random number generator; random seed is used if unset or null. This feature is effective if Open Babel is built with -DOB_USE_OBRANDOMMT cpreprocessor flag (will be automatically enabled when version 4 is released).

Examples

obdistgen molecule.smi > molecule.sdf

Generate rough 3D coordinates for molecule.smi and write it to molecule.sdf

Releases

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

  1. 10
  2. 11–13
  3. Arch

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.