DOCK 6 is written in C++ and is functionally separated into independent components, allowing a high degree of program flexibility. Accessory programs are written in C and Fortran 77. We provide source code for all programs.
The DOCK suite of programs requires on the order of 100 MB of disk space and 48 MB RAM.
The new features of DOCK 6 include: additional scoring options during minimization; DOCK 3.5 scoring-including Delphi electrostatics, ligand conformational entropy corrections, ligand desolvation, receptor desolvation; Hawkins-Cramer-Truhlar GB/SA solvation scoring with optional salt screening; PB/SA solvation scoring; and AMBER scoring-including receptor flexibility, the full AMBER molecular mechanics scoring function with implicit solvent, conjugate gradient minimization,
and molecular dynamics simulation capabilities.
Because DOCK 6 is an extension of DOCK 5, it also includes all previous features.