1. What is AutoDock?
   
   AutoDock is a tool used for automated docking of flexible Ligands to Macromolecules. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
   

2. Where can I find information of AutoDock?
   
   AutoDock was developed by the Scripps Research Institute in the US. It is free to academics and educational institutes for non-commercial use. The AutoDock homepage is at http://www.scripps.edu/mb/olson/doc/autodock/index.html.
   

3. How to run AutoDock on TCG@NUS?
   
   AutoDock was ported to TCG@NUS pc grid computing platform in June 2006.The current version is 3.0.5.
   
   An automated application interface or wrapper was developed to perform the job submission and results retrieval. Using the wrapper, an AutoDock job can be partitioned automatically into many small work units, which will then be submitted to TCG@NUS to compute.
   
   The sample command is:
   
   
   
   To retrieve the results back from TCG@NUS, using command:

   autodock-retrieve.pl 4321

   Where, 4321 is the job ID for the current job.

 

Last Modified on 25th June 2008. Copyright - All Rights Reserved.