openbabel

Description:Interconverts file formats used in molecular modeling
License: GPL-2
Homepage:https://openbabel.org/
Location:Portage, Calculate*
Legend:
  • + - stable
  • ~ - unstable
  • M - hardmask
alpha amd64 arm hppa ia64 m68k mips ppc ppc64 s390 sh sparc x86
9999 diff - - - - - - - - - - - - -
3.1.1_p20210225 diff - + ~ - - - - - - - - - ~
2.4.1-r2* - + ~ - - - - - - - - - +

USE flags

  • cpu_flags_arm_neon - Use the NEON (ASIMD) instruction set
  • cpu_flags_x86_sse2 - Use the SSE2 instruction set
  • cpu_flags_x86_sse4_2 - Enable SSE4.2 instruction support
  • doc - Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
  • examples - Install examples, usually source code
  • inchi - Build support for IUPAC International Chemical Identifier format
  • json - Build support for JSON formats (ChemDoodle, PubChem, etc...)
  • minimal - Install a very minimal build (disables, for example, plugins, fonts, most drivers, non-critical features)
  • openmp - Build support for the OpenMP (support parallel computing), requires >=sys-devel/gcc-4.2 built with USE="openmp"
  • perl - Add optional support/bindings for the Perl language
  • png - Add support for libpng (PNG images)
  • python - Add optional support/bindings for the Python language
  • python_targets_python3_10 - Build with Python 3.10
  • python_targets_python3_11 - Build with Python 3.11
  • python_targets_python3_9 - Build with Python 3.9
  • test - Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)
  • wxwidgets - Add support for wxWidgets/wxGTK GUI toolkit

Also available in: Atom

Thank you!