Autodock tools forum

Instead, it calculates the grids internally, for the atom types that are needed, and it does this virtually instantly. We have also developed a graphical user interface called AutoDockTools , or ADT for short, which amongst other things helps to set up which bonds will treated as rotatable in the ligand and to analyze dockings.

For questions, support, and discussions, subscribe to the AutoDock mailing list. Welcome to AutoDock. What is AutoDock?

Suggestions for new features are also welcome. Announcements of new software versions and functionalities will be made on this list.

Anyone with questions about obtaining the AutoDock source code should read the AutoDock web page Please note that AutoDock Mailing List is not moderated and subscription to the Mailing List is required to post. Otherwise, postings from non-members are placed on hold. Comments that are offensive, disrespectful or do not pertain to the direct purpose of the mailing list see above are not allowed, and users violating these rules will be banned without notice. Bug reports. AutoDock Vina tends to be faster than AutoDock 4 by orders of magnitude.

Some of these projects average over 50 years worth of computation per day. Average time per receptor-ligand pair on the test set. License AutoDock Vina is released under a very permissive Apache license, with few restrictions on commercial or non-commercial use, or on the derivative works. The text of the license can be found here. Trott, A. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 Features Accuracy AutoDock Vina significantly improves the average accuracy of the binding mode predictions compared to AutoDock 4, judging by our tests on the training set used in AutoDock 4 development.

Implementation Quality By design, the results should not have a statistical bias related to the conformation of the input structure.