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BioSimGrid

BioSimGrid. PI:: Mark Sansom (Oxford). Stuart Murdock :: s.e.murdock@soton.ac.uk. Southampton :: Jon Essex, Stuart Murdock Oxford :: Mark Sansom, Kaihsu Tai Birkbeck College :: David Moss Birmingham :: Oliver Smart Nottingham :: Charlie Laughton

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BioSimGrid

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  1. BioSimGrid PI:: Mark Sansom (Oxford) Stuart Murdock :: s.e.murdock@soton.ac.uk Southampton :: Jon Essex, Stuart Murdock Oxford :: Mark Sansom, Kaihsu Tai Birkbeck College :: David Moss Birmingham :: Oliver Smart Nottingham :: Charlie Laughton York :: Leo Caves http://www.BioSimGrid.org

  2. Project Aims • Analyse archived trajectories with different tools • Ability for a user to design their own tools • Placed in repository / library • View results • Store useful results http://www.BioSimGrid.org

  3. How can we help? • Much discussion with many U.K. groups • Development of one code is fine • Biggest problem is formatting and inflexible packages • Much effort spent on integration • Can even influence research http://www.BioSimGrid.org

  4. User Specific Analysis • Unrestrictive • Use own scripts (Python) • Donate / Share • Molecular API? User-defined script >>> script >>> >>> C = A + B http://www.BioSimGrid.org

  5. Generic tools Store results Somewhat restrictive (Wider community) Generic Analysis Pre-defined Analysis Surface Area Molecular Volume Internal Coordinates Backbone RMSD http://www.BioSimGrid.org

  6. http://www.BioSimGrid.org

  7. http://www.BioSimGrid.org

  8. http://www.BioSimGrid.org

  9. http://www.BioSimGrid.org

  10. http://www.BioSimGrid.org

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  12. http://www.BioSimGrid.org

  13. Collaborators OXFORD:: Mark Sansom, Paul Jeffreys, Kaihsu Tai, Bing Wu SOUTHAMPTON :: Jon Essex, Simon Cox, Hans Fangohr, Stuart Murdock, Muan Hong Ng, Steven Johnston PLUS MANY MORE http://www.BioSimGrid.org

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