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 documentation linked below. For a developers 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the great work done by the rDock project, RxDock is using Meson for building and automatically downloading missing or outdated dependancies as wrapped libraries.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 is now done with Google Test, linear algebra is powered by Eigen, and random number generation by PCG. OpenMP has been used to speed up cavity search. Documentation is written in reStructuredText and built by Sphinx, while API documentation is built by Doxygen. There are many other smaller changes; if you are interested in details, until the release notes are written we invite you to check the project commit history on GitLab or GitHub for details.
New streamlined command-line interface using cxxopts is in early stages of design and prototyping. Graphical and web user interfaces are planned.