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XELE--a polypeptide model-building program for a graphics workstation.

I Fujii1, Y Morimoto, Y Higuchi

  • 1Department of Life Science, Faculty of Science, Himeji Institute of Technology, Hyogo, Japan.

Journal of Molecular Graphics
|September 1, 1992
PubMed
Summary
This summary is machine-generated.

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A new C-based program, XELE, enhances protein crystallography by interactively displaying electron density and manipulating polypeptide models on graphics workstations. It integrates with the PROTEIN structure analysis package for improved interactive use.

Area of Science:

  • Computational Biology
  • Structural Biology
  • Biophysics

Background:

  • Protein crystallography is crucial for determining 3D protein structures.
  • Interactive visualization tools are essential for efficient model building in crystallography.
  • Existing software may lack advanced graphical capabilities or integration.

Purpose of the Study:

  • To develop an interactive model-building program for protein crystallography.
  • To leverage the X Window system for enhanced visualization and manipulation.
  • To integrate the program with existing structure analysis tools.

Main Methods:

  • Developed the XELE program in C under UNIX on a graphics workstation.
  • Utilized the X Window system and X Toolkit for a highly interactive man-machine interface.

Related Experiment Videos

  • Integrated the Dorè 3D rendering package for fast visualization.
  • Interfaced XELE with the PROTEIN structure analysis package.

    • Main Results:

    • Created XELE, a C-based interactive program for protein crystallography.
    • Achieved full utilization of the X Window system for electron density display and model manipulation.
    • Enabled portability across different graphics workstations.
    • Successfully interfaced XELE with the PROTEIN package for a seamless workflow.

    Conclusions:

    • XELE provides an interactive and efficient environment for protein model building.
    • The use of X Window and Dorè significantly enhances the visualization capabilities.
    • Integration with PROTEIN streamlines the structure analysis process in crystallography.