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Universal Virtual Screening System

Easy to Learn


Several documentations are provided with UVSS: installation and configuration guide, administration guide, user guide. These documentations contain state-of-the-art UML diagrams that help the different actors to easily focus on the knowledge they need. Three kinds of actors interact through UVSS: the user that submits pipelines, the job scheduler that spawns processes and the administrator that manages active and postponed pipelines handled by the job scheduler. The use-cases UML diagram on the following figure shows the different main actions that can be carried out by users and administrators. The user is involved in three main use-cases:
  • Prepare pipe: UVSS creates default configuration files for the user and validates the syntax of those provided by the user. Then UVSS catches licences and helps the user to spawn small test tasks to validate the chosen settings.
  • Execute pipe: UVSS creates a scheduler queue to dock a library of ligands against a given target. Another queue can be used to manage errors.
  • Extract results: UVSS extracts scores and conformations matching user specified characteristics.
The administrator manages pipes (use-case Manage pipes) through UVSS and the job scheduler. The documentation covers these different user and administrator procedures.
 
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