Skip to main content

Synchronous communication of molecular and electronic structure information in a distributed computing environment

  • I Invited Papers
  • Conference paper
  • First Online:
High Performance Computing (ISHPC 1999)

Part of the book series: Lecture Notes in Computer Science ((LNCS,volume 1615))

Included in the following conference series:

  • 108 Accesses

Abstract

Today, most graphics applications run as local stand-alone programs with transient construction of the data structures used to represent the graphics data. A number of approaches to communicate molecular graphics data over the World Wide Web based on standardized file formats which can be recognized by Web browsers or helper applications have been reported. In a world where most research groups are engaged in remote collaboration, the lack of the possibility of bidirectional synchronous communication is difficult to accept.

In this work, we will present a new data communication paradigm using a portable data structure which is based on an underlying object-oriented molecular graphics library, which represents the basis for a Web based collaborative engineering environment allowing the sharing of windows containing two- and three-dimensional information in real time.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Chime: MDL Information Systems Inc., http://www.mdli.com/tech/chemscape.html

    Google Scholar 

  2. InPerson: Silicon Graphics Inc., http://www.sgi.com/Products/software/InPerson/ipintro.html

    Google Scholar 

  3. WebLab Viewer: Molecular Simulations Inc., http://www.msi.com/solutions/products/ weblab/viewer

    Google Scholar 

  4. MOLEKEL: a molecular graphics package, P.F. Flükiger, Ph. D. thesis 2561, University of Geneva, 1992; http://www.scsc.ethz.ch/≈portmann/molekel

    Google Scholar 

  5. GaussView: Gaussian Inc., http://www.gaussian/com/gvbroc.htm

    Google Scholar 

  6. Unichem: Oxford Molecular Inc., http://www.oxmol.com/prods/unichem

    Google Scholar 

  7. HyperChem: Hypercube Inc., http://www.hyper.com

    Google Scholar 

  8. Molecular Inventor, OpenInventor: Silicon Graphics Inc., http://www.sgi.com/Technology/Inventor

    Google Scholar 

  9. OpenGL: Silicon Graphics Inc., http://www.sgi.com/software/opengl

    Google Scholar 

  10. Open Inventor Applications: Silicon Graphics Inc., http://www.sgi.com/Works/sdrc_cd/htdocs/inventor4.html

    Google Scholar 

  11. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. AlLaham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, GAUSSIAN 94 Revision E.2 (Gaussian, Inc., Pittsburgh, 1995)

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Peter Lüthi .

Editor information

Constantine Polychronopoulos Kazuki Joe Akira Fukuda Shinji Tomita

Rights and permissions

Reprints and permissions

Copyright information

© 1999 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Flükiger, P.F., Portmann, S., Lüthi, P. (1999). Synchronous communication of molecular and electronic structure information in a distributed computing environment. In: Polychronopoulos, C., Fukuda, K.J.A., Tomita, S. (eds) High Performance Computing. ISHPC 1999. Lecture Notes in Computer Science, vol 1615. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0094907

Download citation

  • DOI: https://doi.org/10.1007/BFb0094907

  • Published:

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-65969-3

  • Online ISBN: 978-3-540-48821-7

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics