How to install DOCK 3.8
Many of the tutorials on how to use DOCK software assume you have access to an executable DOCK program- sometimes referred to as DOCKEXEC, or simply DOCK. This page describes how to gain access to this program.
Obtaining a License
Please obtain a license via the DOCK license server [] and download the software.
Compiling from source
See this page: How_to_compile_DOCK
If you are a BKS cluster member, you should follow the instructions for compiling via pgf. The DOCK 3.8 source can be found on github:
git clone https://github.com/docking-org/dock3.git
For any others without a PGF license, follow the gfortran instructions.
DOCK is constantly being modified & fine-tuned, sometimes there may be a special version of DOCK floating around you want to use, or perhaps you have a special version of your own you'd like to share. We collect all custom DOCK executables on the BKS cluster at this location (which is world-writable):
Here is a brief description of the various executables here at the time of writing:
dock37_vanilla : standard DOCK 3.7 executable dock38_vanilla : standard DOCK 3.8 executable dock37_matchcap : DOCK 3.7 executable that more strictly caps the number of matches DOCK generates - slightly faster! dock38_matchcap : Same as above, but for 3.8 dock38_nogist : DOCK 3.8 sans error messages that sometimes occur when using recently built ligand libraries
You are encouraged to also included the source code in this directory as a tar.gz file with the same base name as your executable.