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Figure 1 | Journal of Cheminformatics

Figure 1

From: Data model, dictionaries, and desiderata for biomolecular simulation data indexing and sharing

Figure 1

Screenshot of the web interface generated via the caGrid tools. The screenshot presents a listing of the computational tasks that were published into the caGrid test system. The user request was automatically translated into a SQL query via Hibernate to return the rows form the tables mapping to the class ExperimentTask and its child classes MinimizationTask (minimizations), MDTask (MD runs), and QMTask (QM calculations). For each row, a set of get methods (e.g. getSoftware) link to the associated objects for more details (e.g. Software name and version).

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