Namespaces

Variants
Actions
Personal tools

AutoDock

From UABgrid Documentation

(Difference between revisions)
Jump to: navigation, search
(added category software)
Line 14: Line 14:
 
module load autodock/autodock-4.2  
 
module load autodock/autodock-4.2  
 
</pre>
 
</pre>
 +
 +
[[Category:Software]]

Revision as of 08:45, 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