DOCK 5 is written in C++ and is functionally seperated into independent components, allowing a high degree of program flexibility. Accessory programs are written in Fortran 77. We provide source code for all programs.
The DOCK suite of programs requires on the order of 50 Mb of disk space and 48 Mb RAM.
The new features of the current release of DOCK 5 include: MPI parallelization, exhaustive orientation searching, improved conformation searching, GB/SA solvation scoring, chemical/pharmacophore screening, critical points filtering, post-screening pose clustering, and continuous scoring. For a list of specific differences between version 5.3.0 and 5.4.0, please click here.
