sci-chemistry/openbabel

A chemical toolbox designed to speak the many languages of chemical data.

Versions

Slot	Version	Repository	Platforms
3	3.1.1-r1	scientific	~amd64	arm?	armv7?	armv8?	~x86

Metadata

Homepage	( http://openbabel.org/ https://github.com/openbabel/openbabel )
Summary	A chemical toolbox designed to speak the many languages of chemical data
Description	Open Babel is a community-driven scientific project including both cross-platform programs and a developer library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data.
Dependencies	( ( build: sci-libs/eigen:3[>=2.91.0] virtual/pkg-config doc? ( app-doc/doxygen ) build+run: dev-libs/boost[>=1.45.0] dev-libs/libxml2:2.0 sci-chemistry/inchi sys-libs/zlib x11-libs/cairo coordgen? ( sci-chemistry/coordgenlibs ) java? ( dev-lang/swig[>=2.0] virtual/jdk:= ) json? ( dev-libs/rapidjson ) maestro? ( sci-chemistry/maeparser ) openmp? ( sys-libs/libgomp:= ) perl? ( dev-lang/perl:= dev-lang/swig[>=2.0] ) python? ( dev-lang/python:= dev-lang/swig[>=2.0] ) R? ( dev-lang/swig[>=2.0] sci-lang/R ) run: !sci-chemistry/openbabel:0[<2.4.1-r1] test: dev-lang/python:* ) ( build: sys-devel/cmake[>=3.24.0] ) ( build+run: gui? ( x11-libs/wxGTK:3.2[providers:gtk3] ) ) ( install: app-admin/eclectic[>=2.0.13] ) )
Downloads	https://github.com/openbabel/openbabel/archive/openbabel-3-1-1.tar.gz -> openbabel-openbabel-3-1-1.tar.gz
Licences	GPL-2

Choices

OPTIONS

R	Adds bindings for R
coordgen	Support for 2D coordinate generation
doc	Adds extra documentation (API, Javadoc, etc)
gui	Build a GUI using wxWidgets
java	Adds bindings for Java
json	Support for json based file formats
maestro	Support for the Schrödinger Maestro file format
openmp	Enable parallel processing using OpenMP
perl	Adds support/bindings for the Perl language
python	Adds support/bindings for the Python language