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MULTI: a shared memory approach to cooperative molecular modeling.

T Darden1, P Johnson, H Smith

  • 1National Institute of Environmental Health Sciences, RTP, NC 27709.

Journal of Molecular Graphics
|March 1, 1991
PubMed
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The MULTI molecular modeling system utilizes UNIX interprocess communication for flexible data manipulation and visualization. This system enhances molecular modeling by integrating various specialized processes for comprehensive analysis.

Area of Science:

  • Computational chemistry
  • Molecular modeling
  • Bioinformatics

Background:

  • Molecular modeling systems are crucial for understanding molecular structures and interactions.
  • Existing systems often lack integrated functionalities for diverse modeling tasks.
  • Efficient interprocess communication is key for complex computational tasks.

Purpose of the Study:

  • To describe the MULTI system, a general-purpose molecular modeling software.
  • To highlight its foundation on UNIX shared memory and semaphore facilities.
  • To showcase its capabilities in geometric data querying, conformation manipulation, and advanced visualization.

Main Methods:

  • Development of a general-purpose molecular modeling system named MULTI.
  • Implementation using UNIX shared memory and semaphore facilities for interprocess communication.

Related Experiment Videos

  • Integration of specialized processes for data manipulation and visualization.

    • Main Results:

    • MULTI provides processes for manipulating molecular conformations.
    • The system enables visualization of peptide/nucleic acid ribbons, Connolly surfaces, and nonbonded contacts.
    • It supports display of crystal-symmetry related images and least-squares superpositions.
    • Cooperation among specialized processes ensures a flexible modeling environment.

    Conclusions:

    • The MULTI system offers a flexible and integrated environment for molecular modeling.
    • Its design facilitates efficient cooperation between specialized computational processes.
    • This approach enhances the capabilities of molecular modeling software.