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XtalView/Xfit--A versatile program for manipulating atomic coordinates and electron density.

D E McRee1

  • 1Department of Molecular Biology, The Scripps Research Institute, 10550 N. Torrey Pines Road, La Jolla, California 92037, USA.

Journal of Structural Biology
|May 1, 1999
PubMed
Summary

Xfit is a powerful molecular modeling program for structural biology, enhancing model building and map visualization. Its optimized features facilitate rapid, interactive chain building into electron density maps.

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Area of Science:

  • Structural Biology
  • Computational Biology
  • Biophysics

Background:

  • XtalView's Xfit program is a widely used tool for structural biology research.
  • The program supports crystallography, molecular modeling, and electron microscopy.
  • Existing tools may lack integrated features for efficient model building and map analysis.

Purpose of the Study:

  • To introduce and detail the capabilities of the Xfit program.
  • To highlight features that enhance model building and map visualization in structural biology.
  • To discuss the program's design and optimization for rapid, interactive use.

Main Methods:

  • Xfit utilizes built-in Fast Fourier Transforms (FFTs) for flexible map calculations.
  • The program is written in C, leveraging the XView toolkit for portability across X-windows systems.

Related Experiment Videos

  • A semi-automated fitting system enables interactive de novo chain building into electron density maps.

    • Main Results:

    • Xfit offers features like OMIT map creation and real-time structure factor updates.
    • Optimized performance allows interactive contour levels and map calculations in seconds.
    • Latest version includes phase combination, solvent flattening, and automated water addition.

    Conclusions:

    • Xfit provides a highly portable and optimized solution for structural biology model building.
    • Its interactive features and rapid calculations significantly aid researchers.
    • The program's comprehensive functionalities support advanced crystallographic and microscopy analyses.