1. What is MODELLER?
   
   MODELLER is a program for comparative protein structure modeling by satisfaction of spatial restraints. It is used for homology or comparative modeling of protein 3D structures.
   

2. Where can I find information of MODELLER?
   
   MODELLER is maintained by Ben Webb at the Departments of Biopharmaceutical Sciences and Pharmaceutical Chemistry, and California Institute for Quantitative Biomedical Research, Mission Bay Byers Hall, University of California San Francisco in the US. It is available of charge to academic non-profit institutes. The MODELLER homepage is at http://www.salilab.org/modeller/.
   

3. How to run MODELLER on TCG@NUS?
   
   MODELLER was enabled on TCG@NUS grid computing platform in February 2005.
   
   An automated application interface or wrapper was developed to perform the job submission and results retrieval. Using the wrapper, a MODELLER job can be partitioned automatically into many small work units, which will then be submitted to TCG@NUS to compute. Below is a sample command:
   
   
   

   To retrieve the results back from TCG@NUS:

   retrieve.sh 4312 out-4321

   Where, 4321 is the job ID for the current job, and "out-4321" is the sub-folder where the result files to be stored.

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