[Vision] Vision Virtual Screening Workflow Release Annoucement

Jane Ren j2ren at ucsd.edu
Wed Sep 2 17:41:56 PDT 2009


Dear Vision Users,

We are pleased to announce the beta release of the Vision virtual screening workflow.  This example workflow performs virtual screening with the "sample" ligand library on two receptors.  The workflow uses a variety of NBCR web services, such as web services from http://ws.nbcr.net.
You can download this workflow and see its documentation from 
http://www.nbcr.net/software/doc/mgl-roll/rocks-5.0/vs_example.html

We have used this virtual screening workflow as an example in this year's NBCR Summer Institute.  Additional documentation and test input files can be found here 
https://www.nbcr.net/pub/wiki/index.php?title=Programming_Scientific_Workflows#Thursday.2C_Vision_based_scalable_workflow_development_using_web_services

Please note that you will have to use MGLTools 1.5.6 Revision 32 to load this network.  This special MGLTools version can be downloaded from in the “MGL release required for running virtual screening workflow” section from the above link.

For questions or comments, please send an email to admin at nbcr.net.

Thank you.
NBCR



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