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

J Struct Biol. Apr-May 1999;125(2-3):156-65. doi: 10.1006/jsbi.1999.4094.

Abstract

Xfit is a model-building and map viewing program in XtalView that is used by the structural biology community including researchers in the fields of crystallography, molecular modeling, and electron microscopy. Among its distinguishing features are built-in fast Fourier transforms that allow users flexibility in map calculations including the creation of OMIT maps and the updating of structure factors to reflect model changes from within the program. Written in C and using the freely available XView toolkit, it is highly portable to almost any X-windows based workstation including Intel-based LINUX systems. Its user interface is designed to aid in facile model-building and contains a semiautomated fitting system that allows the user to interactively and rapidly build chain de novo into an electron density map. The program is highly optimized to allow such features as interactive contour levels and map calculations to be completed within a few seconds. Features in the latest version including phase-combination, solvent-flattening, automated water addition, and small-probe dot contact surfaces, as well as basic design features, are discussed.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Computing Methodologies*
  • Crystallography, X-Ray
  • Data Display
  • Electrons
  • Fourier Analysis
  • Microscopy, Electron
  • Models, Molecular*
  • Molecular Structure*
  • Programming Languages
  • Protein Conformation
  • Software*
  • User-Computer Interface
  • Water

Substances

  • Water