Open Source at RxTx

At RxTx, we develop our solutions by using and extending free and open-source software. We strongly believe in keeping the software free and open source as we use, modify, and enhance it to fit our needs.


RxDock is an actively maintained fork of rDock, a fast, versatile and open-source (LGPLv3) program for docking ligands to proteins and nucleic acids. For a non-developer perspective, see the video below. For a developer perspective, read on.

The source code has been modernized using C++11 and beyond. Continuing the great work done by the rDock project, RxDock is using Meson for building and automatically downloading missing or outdated dependancies as wrapped libraries, testing with Google Test, linear algebra by Eigen, documentation written in reStructuredText and built by Sphinx into HTML format and PDF, and more. API documentation generated from annotated source code using Doxygen is planned.

New streamlined command-line interface using cxxopts is in early stages of design and prototyping. Graphical user interface is planned.

Rebrand is still in progress so expect the software to still be called rDock in many places in the documentation and the code.