Journal of Grid Computing

, Volume 10, Issue 4, pp 769–790

A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics

Authors

    • University of Tübingen
    • Technische Universität Dresden
  • Jens Krüger
    • University of Tübingen
  • Georg Birkenheuer
    • Universität Paderborn
  • Martin Wewior
    • Universität zu Köln
  • Patrick Schäfer
    • Konrad-Zuse-Zentrum für Informationstechnik Berlin
  • Bernd Schuller
    • Forschungszentrum Jülich
  • Johannes Schuster
    • Universität Paderborn
  • Sonja Herres-Pawlis
    • Ludwig-Maximilians-Universität München
  • Sebastian Breuers
    • Universität zu Köln
  • Ákos Balaskó
    • MTA SZTAKI
  • Miklos Kozlovszky
    • MTA SZTAKI
  • Anna Szikszay Fabri
    • MTA SZTAKI
  • Lars Packschies
    • Universität zu Köln
  • Peter Kacsuk
    • MTA SZTAKI
  • Dirk Blunk
    • Universität zu Köln
  • Thomas Steinke
    • Konrad-Zuse-Zentrum für Informationstechnik Berlin
  • André Brinkmann
    • Johannes Gutenberg-Universität Mainz
  • Gregor Fels
    • Universität Paderborn
  • Ralph Müller-Pfefferkorn
    • Technische Universität Dresden
  • René Jäkel
    • Technische Universität Dresden
  • Oliver Kohlbacher
    • University of Tübingen
Article

DOI: 10.1007/s10723-012-9247-y

Cite this article as:
Gesing, S., Grunzke, R., Krüger, J. et al. J Grid Computing (2012) 10: 769. doi:10.1007/s10723-012-9247-y

Abstract

Structural bioinformatics applies computational methods to analyze and model three-dimensional molecular structures. There is a huge number of applications available to work with structural data on large scale. Using these tools on distributed computing infrastructures (DCIs), however, is often complicated due to a lack of suitable interfaces. The MoSGrid (Molecular Simulation Grid) science gateway provides an intuitive user interface to several widely-used applications for structural bioinformatics, molecular modeling, and quantum chemistry. It ensures the confidentiality, integrity, and availability of data via a granular security concept, which covers all layers of the infrastructure. The security concept applies SAML (Security Assertion Markup Language) and allows trust delegation from the user interface layer across the high-level middleware layer and the Grid middleware layer down to the HPC facilities. SAML assertions had to be integrated into the MoSGrid infrastructure in several places: the workflow-enabled Grid portal WS-PGRADE (Web Services Parallel Grid Runtime and Developer Environment), the gUSE (Grid User Support Environment) DCI services, and the cloud file system XtreemFS. The presented security infrastructure allows a single sign-on process to all involved DCI components and, therefore, lowers the hurdle for users to utilize large HPC infrastructures for structural bioinformatics.

Keywords

Single sign-onScience gatewaySecurityDCIsStructural bioinformatics

Copyright information

© Springer Science+Business Media Dordrecht 2012