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Related Experiment Videos

MoldaNet: a network distributed molecular graphics and modelling program that integrates secure signed applet and

H Yoshida1, H S Rzepa, A P Tonge

  • 1Department of Chemistry, Faculty of Science, Hiroshima University, Higashi-Hiroshima, Japan. h.rzepa@ic.ac.uk

Journal of Molecular Graphics & Modelling
|August 6, 1999
PubMed
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MoldaNet is a novel, browser-based computational chemistry tool. It uses Java technologies for secure, accelerated molecular modeling, eliminating software installation for users.

Area of Science:

  • Computational Chemistry
  • Molecular Graphics and Modelling
  • Internet-based Distributed Computing

Background:

  • Traditional molecular modeling software requires extensive user pre-installation.
  • Java applets typically have security restrictions limiting local file access.
  • Hardware graphics acceleration is crucial for efficient 3D molecular visualization.

Purpose of the Study:

  • To introduce MoldaNet, an innovative Internet-based molecular graphics and modeling program.
  • To leverage Java technologies for enhanced security and performance in computational chemistry.
  • To enable distributed computational chemistry without client-side software installation.

Main Methods:

  • Integration of Java 3D classes for hardware graphics acceleration.

Related Experiment Videos

  • Implementation of Secure Signed Applet technology with X.509 certificates for authentication.
  • Utilizing Java's modularity to incorporate Chemical Markup Language (CML) and VRML97 descriptors.

    • Main Results:

    • MoldaNet functions as a secure, authenticated Java applet, allowing local file read/write operations.
    • The program provides hardware-accelerated 3D molecular graphics directly through a web browser.
    • Users can filter and save molecular models in formats like VRML97 or CML to their local disk.

    Conclusions:

    • MoldaNet represents a new class of Internet-based distributed computational chemistry tools.
    • The technology eliminates the need for pre-installation, simplifying access to molecular modeling.
    • Potential applications include distance-based training and advancements in chemical commerce.