For questions, support, and discussions, subscribe to the AutoDock mailing list. Welcome to AutoDock. What is AutoDock? AutoDock has applications in: X-ray crystallography; structure-based drug design; lead optimization; virtual screening HTS ; combinatorial library design; protein-protein docking; chemical mechanism studies.
Support For questions, support, and discussions, subscribe to the AutoDock mailing list. On MAC you need to download and install X This release is self contained and will not affect other python interpreter installed. However Stuffit Expander does not extract all the directories for some reasons so you'll need to actually need to remove the directory created by Stuffit expander and follow the steps below. MAC users the adt, pmv, vision and pythonsh script automatically start X11 for you.
If you have this version of Python installed skip this step. Download the Python 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. Attention is paid to checking the syntactic correctness of the input and reporting errors to the user in a lucid manner.
The invariance of the covalent bond lengths is automatically verified in the output structures. Vina avoids imposing artificial restrictions, such as the number of atoms in the input, the number of torsions, the size of the search space, the exhaustiveness of the search, etc.
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