AutoDock: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
(added category crystallography) |
||
| (One intermediate revision by the same user not shown) | |||
| Line 14: | Line 14: | ||
module load autodock/autodock-4.2 | module load autodock/autodock-4.2 | ||
</pre> | </pre> | ||
[[Category:Software]][[Category:Crystallography]] | |||
Latest revision as of 15:04, 4 April 2012
This page is a Generic stub.
You can help by expanding this page..
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
AutoDock 4 actually consists of two main programs: autodock performs the docking of the ligand to a set of grids describing the target protein; autogrid pre-calculates these grids.
In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders.
Project website: http://autodock.scripps.edu/
Load SGE module
The following Modules file should be loaded for this package:
module load autodock/autodock-4.2