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sci-chemistry/openbabel

Interconverts file formats used in molecular modeling

Screenshots

  • openbabel-9999
    cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo
  • openbabel-3.1.1_p20210225-r1
    amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo
  • openbabel-3.1.1_p20210225
    amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo

USE Flags

cpu_flags_arm_neon
* This flag is undocumented *
cpu_flags_x86_sse2
* This flag is undocumented *
cpu_flags_x86_sse4_2
* This flag is undocumented *
doc
Global: Adds extra documentation (API, Javadoc, etc)
examples
Global: Install examples, usually source code
+inchi
* This flag is undocumented *
json
Global: Enable JSON support
minimal
Global: Install a very minimal build (disables, for example, plugins, fonts, most drivers, non-critical features)
openmp
Global: Build support for the OpenMP (support parallel computing), requires >=sys-devel/gcc-4.2 built with USE="openmp"
perl
Global: Adds support/bindings for the Perl language
png
Global: Adds support for libpng (PNG images)
python
Global: Adds support/bindings for the Python language
test
Global: Workaround to pull in packages needed to run with FEATURES=test. Portage-2.1.2 handles this internally, so don't set it in make.conf/package.use anymore
wxwidgets
Global: Adds support for wxWidgets/wxGTK GUI toolkit
python_targets_python3_10
* This flag is undocumented *
python_targets_python3_11
* This flag is undocumented *