open-babel

Chemical toolbox

https://openbabel.org

Current versions:

stable 2.4.1
head ⚡️ HEAD
bottle 🍾 high_sierra, sierra, el_capitan, yosemite

Options:

--with-cairo Support PNG depiction
--with-java Compile Java language bindings
--with-python@2 Compile Python 2 language bindings
--with-wxmac Build with GUI

Depends on:

eigen 3.3.4 C++ template library for linear algebra

Depends on optionally:

python@2 2.7.15 Interpreted, interactive, object-oriented programming language
wxmac 3.0.4 Cross-platform C++ GUI toolkit (wxWidgets for macOS)
cairo 1.14.12 Vector graphics library with cross-device output support

Depends on when building from source:

pkg-config 0.29.2 Manage compile and link flags for libraries
cmake 3.11.2 Cross-platform make

JSON API for open-babel

Formula code on GitHub

Fork me on GitHub