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BIOBELL--a simulation system for biochemistry and biophysics.

D E Stevenson, D D Warner, T R Brown

    Computers in Biology and Medicine
    |January 1, 1984
    PubMed
    Summary

    The BIOBELL system simulates biochemical kinetics and nuclear magnetic resonance using portable software. It details the implementation of a portable compiler and differential equation solver, offering guidelines for future projects.

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    Area of Science:

    • Computational chemistry
    • Biophysics
    • Software engineering

    Background:

    • Biochemical kinetics and nuclear magnetic resonance (NMR) phenomena require sophisticated simulation tools.
    • Existing simulation systems may lack portability or efficient numerical methods.
    • The development of versatile and portable simulation software is crucial for advancing research in these fields.

    Purpose of the Study:

    • To introduce the BIOBELL simulation system for biochemical kinetics and NMR phenomena.
    • To describe the system's reliance on portable software components.
    • To provide insights into the implementation of key software modules and offer guidance for similar projects.

    Main Methods:

    • Utilized portable software from the PORT Library and the GASP system.
    • Developed a portable compiler for the simulation system.
    • Implemented a portable stiff ordinary differential equation solver.

    Main Results:

    • Successfully designed and implemented the BIOBELL simulation system.
    • Demonstrated the system's capability to simulate biochemical kinetics and NMR phenomena.
    • Illustrated the user language and software implementation details.

    Conclusions:

    • The BIOBELL system offers a portable and efficient approach to simulating complex biochemical and NMR processes.
    • The implemented portable compiler and ODE solver are key components for system functionality.
    • Guidelines provided can aid in the development of future portable scientific simulation projects.

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