DOCK 3.8.5

DOCK 3.8.5 was released on Friday April 4th, 2025. It includes numerous bug fixes, a few enhancements, and improved clarity over previous 3.8.x versions.

• For now, the release notes are here:

[1]

DOCK 3.8.5 is released as a tarball that includes three repos in github.com/docking-org/: dock3, pydock3 and zinc22-3d

There are also other tools in github that are not part of the DOCK 3.8.5 tarball:

• SUBDOCK (an interface to queuing systems)
• awsdock (tools for running in AWS)

DOCK 3.8.5 requires no additional licenses for receptor preparation, docking, and results processing. Four additional licensed software packages or their cognates are required for 3D database building:

• omega (OpenEye)
• corina (Molecular Networks)
• jchem (ChemAxon)
• AMSOL 7.1 is free on request.

• At this time, covalent docking (DOCKovalent) is still in DOCK 3.7 not 3.8.