From DISI

UCSF DOCK is a computer program for molecular docking, the process of orienting and scoring small molecules in a macromolecular (usually protein) binding site. Started in the early 1980s by Tack Kuntz and his group, DOCK was the first of many such programs, and has been in widespread use for over 20 years.

The official website for all versions of DOCK, including the most recent one, is dock.compbio.ucsf.edu. There is a discussion group.

DOCK versions

DOCK has been completely re-written twice. Each re-write has not entirely superceded the previous version, and thus several versions continue to be available. The official goal is to merge the best features of all DOCK versions into a single program, currently called DOCK 6. DOCK 5 is entirely superceded by DOCK 6 and is no longer available. DOCK 4 has a few features still not available in DOCK 6, so we will continue to make it available. DOCK 3.5.54, a version of DOCK 3.5, is used by the DOCK Blaster service, and is the version we use for our research. Many but not all of its capabilities have been incorporated into DOCK 6.

The official one-DOCK policy

It is our official policy to merge all features into a single DOCK program, but this goal has so far eluded us. For the longer version of the history of DOCK, please see DOCK:History.

Now available

• DOCK 6 - 2006-present, the latest version is DOCK 6.2 (released December 2007). Predominantly coded in C++.
• DOCK 4 - 1998-2002, a complete re-write of DOCK in C. *deprecated*.
• DOCK 3.5.54 - 1998 - present. The engine behind DOCK Blaster. Coded in Fortran 77.

Unavailable

• DOCK (1) DOCK 2, DOCK 2.5, DOCK 3 - circa 1980 - 1994. These versions of DOCK were entirely superseded by DOCK 3.5 (1994). Want to nitpick? There were reportedly some features in 2.5 that did not make it into 3.
• DOCK 5 has been unavailable since the release of DOCK 6.1 in December 2006.