container.yaml

docker: ghcr.io/autamus/openbabel
url: https://github.com/orgs/autamus/packages/container/package/openbabel
maintainer: '@vsoch'
description: Open Babel is a chemical toolbox designed to speak the many languages
  of chemical data. It's an open, collaborative project allowing anyone to search,
  convert, analyze, or store data from molecular modeling, chemistry, solid-state
  materials, biochemistry, or related areas.
latest:
  3.1.1: sha256:58ff76cf28a4cac1b994bb38a3d33c62463a22f4cb14e8a0e9dd56698eba950c
tags:
  3.1.1: sha256:58ff76cf28a4cac1b994bb38a3d33c62463a22f4cb14e8a0e9dd56698eba950c
  latest: sha256:58ff76cf28a4cac1b994bb38a3d33c62463a22f4cb14e8a0e9dd56698eba950c
aliases:
  obabel: /opt/view/bin/obabel
  obconformer: /opt/view/bin/obconformer
  obdistgen: /opt/view/bin/obdistgen
  obenergy: /opt/view/bin/obenergy
  obfit: /opt/view/bin/obfit
  obfitall: /opt/view/bin/obfitall
  obgen: /opt/view/bin/obgen
  obgrep: /opt/view/bin/obgrep
  obminimize: /opt/view/bin/obminimize
  obmm: /opt/view/bin/obmm
  obprobe: /opt/view/bin/obprobe
  obprop: /opt/view/bin/obprop
  obrms: /opt/view/bin/obrms
  obrotamer: /opt/view/bin/obrotamer
  obrotate: /opt/view/bin/obrotate
  obspectrophore: /opt/view/bin/obspectrophore
  obsym: /opt/view/bin/obsym
  obtautomer: /opt/view/bin/obtautomer
  obthermo: /opt/view/bin/obthermo