In red mesh, definition of the cavity obtained by execution of rbcavity program.
rDock is a fast, versatile, and open-source program for docking ligands to proteins and nucleic acids. The source code is available on SourceForge. The functionality is described in the following paper:
Ruiz-Carmona, S., Alvarez-Garcia, D., Foloppe, N., Garmendia-Doval, A. B., Juhos S., et al. (2014) rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids. PLoS Comput Biol 10(4): e1003571. doi:10.1371/journal.pcbi.1003571
The rDock development has stalled since 2014.
In wheat-colored mesh, definition of the cavity obtained by execution of rxcmd cavity-search program.
RxDock is a fork of rDock started in 2019 with the goal of updating the code for running on modern computer systems (including supercomputers), enabling cross-platform usage, improving the command-line and application programming interfaces, and implementing newer and better performing algorithms.
Since its inception, RxDock has gained suport for operating systems other than Linux using recent C++ compilers and the testing infrastructure has been improved. Obsolete linear algebra libraries have been replaced with Eigen. More portable file formats are in development. Further improvements and the first stable release are coming in 2020.