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VOTable Services. List of WebServices. Successfully deployed And currently available. Some Notes on FileGenerator. Cluster file is a collection of SMILES representation of chemical compounds and its cluster number.
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VOTable Services Community Grids Lab
List of WebServices Successfully deployed And currently available Community Grids Lab
Some Notes on FileGenerator • Cluster file is a collection of SMILES representation of chemical compounds and its cluster number. • Properties file is a collection of SMILES, cluster number and other metadata for the individual compounds used in the cluster. • This comes from NIH Database and filter • The MRTD1 file combines these two files and is a input to VOTableConverterService to generate votable.xml and VOPlot. Community Grids Lab
Sample Cluster File Community Grids Lab
Sample Properties File Community Grids Lab
Sample mrtd1.txt File Community Grids Lab
Successfully deployed And currently available Community Grids Lab
Available Locally Community Grids Lab
Votable.xml : xml representation of mrtd1.txt file Community Grids Lab
Currently Available locally Community Grids Lab
Sample Structure Data (sdf) File Community Grids Lab
Two Dimensional Image (.png) of SDF file Community Grids Lab
Possible Workflow # 1 Community Grids Lab
Possible Workflow #2 Community Grids Lab
Possible Workflow # 3 Community Grids Lab
Current and Future Work • Working on Import/Export module for Varuna. • Use to exchange data between different Varuna instances. • Deployment of Draw2D service on server • Other services as identified in this meeting. Community Grids Lab