RxDock is an actively maintained fork of rDock, a fast, versatile and open-source (LGPLv3) program for docking ligands to proteins and nucleic acids. The 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the great work done by the rDock project, RxDock is using Meson for building and automatically downloading missing or outdated dependancies as wrapped libraries, testing with Catch2, logging by spdlog and fmt, and documentation written in reStructuredText and built by Sphinx into HTML format and PDF.
Future: Linear algebra by Eigen and optimization methods by CppOptimizationLibrary are in development. New command-line interface using cxxopts is in early stages of design and prototyping. Documentation generated from annotated source code using Doxygen is planned.
Note: Rebrand is still in progress so expect the software to still be called rDock in many places in the documentation and the code.Homepage Documentation (HTML) Documentation (PDF) GitLab GitHub (read-only mirror)