openbabel
Interconverts file formats used in molecular modeling
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.
homepage ↗homepage ↗ sourceforge: openbabel github: openbabel/openbabel
Available in
| Overlay | Newest | Ebuilds | Last activity | |
|---|---|---|---|---|
| gentoo gitweb ↗ | 3.2.0 | 2 | 13 h | details › |
Versions & arches
Use flags of 3.2.0
- 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
- 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
- perl_features_debug
- perl_features_ithreads
- perl_features_quadmath
7 expansion flags (python targets, ABIs, cpu flags…)
- cpu_flags_arm_neon
- cpu_flags_x86_sse2
- cpu_flags_x86_sse4_2
- python_targets_python3_12
- python_targets_python3_13
- python_targets_python3_14
- python_targets_python3_15
Runtime dependencies of 3.2.0
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inchi?
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json?
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!minimal?
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png?
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perl?
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python?
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python_targets_python3_12?
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python_targets_python3_13?
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python_targets_python3_14?
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python_targets_python3_15?
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wxwidgets?
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