3/22/2006Community Grids Lab1 VOTable Services. 3/22/2006Community Grids Lab2 ServiceDescriptionInputOutput FileGenerator Service Combines clusterfile.

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Presentation transcript:

3/22/2006Community Grids Lab1 VOTable Services

3/22/2006Community Grids Lab2 ServiceDescriptionInputOutput FileGenerator Service Combines clusterfile and properties file to produce mrtd1.txt file. String location of clusterfile and String location of propertiesfile ( Location can be relative or absolute) String location of mrtd1.txt file List of WebServices Successfully deployed And currently available

3/22/2006Community Grids Lab3 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.

3/22/2006Community Grids Lab4 Sample Cluster File

3/22/2006Community Grids Lab5 Sample Properties File

3/22/2006Community Grids Lab6 Sample mrtd1.txt File

3/22/2006Community Grids Lab7 ServiceDescriptionInputOutput VotableConverter Service Converts mrtd1.txt file to votable.xml and generates VOPlot for that. Finally returns URL of VOPlot String location of mrtd1.txt file String URL of VOPlot Successfully deployed And currently available

3/22/2006Community Grids Lab8 ServiceDescriptionInputOutput VOTable Service Displays Field Details(Field Name, DataType etc) from votable.xml file String Location of votable.xml file String[] of field details Available Locally

3/22/2006Community Grids Lab9 Votable.xml : xml representation of mrtd1.txt file

3/22/2006Community Grids Lab10 ServiceDescriptionInputOutput Draw2dServiceGenerates two dimensional image for each and every chemical components in SDF file String Location of SDF file String[] – URL of images generated for chemical components Currently Available locally

3/22/2006Community Grids Lab11 Sample Structure Data (sdf) File

3/22/2006Community Grids Lab12 Two Dimensional Image (.png) of SDF file

3/22/2006Community Grids Lab13 WorkFlow Description Services UsedStatus Given two files location(clusterfile and propertiesfile) to generate VOPlot FileGeneratorService VotableConverterService Working and Available Possible Workflow # 1

3/22/2006Community Grids Lab14 WorkFlow Description Services/ Workflows Used Status Output From NIH database and filter (Davids work) in form of mrtd1.txt to generate VOPlot Services from Davids work and workflow1 Available Soon (waiting for some updates on NIH database ) Possible Workflow #2

3/22/2006Community Grids Lab15 Possible Workflow # 3 WorkFlow Description Services/ Workflows Used Status Convert CML file to SDF file and generate two dimensional images for all the chemical components of SDF file OBServer Service and Draw2d Service CDK Libraries Working and Availabl e

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3/22/2006Community Grids Lab19

3/22/2006Community Grids Lab20 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.