Fast Fourier feature recognition

Acta Crystallogr D Biol Crystallogr. 2001 Oct;57(Pt 10):1435-44. doi: 10.1107/s0907444901010812. Epub 2001 Sep 21.

Abstract

Various approaches have been demonstrated for the automatic interpretation of crystallographic data in terms of atomic models. The use of a masked Fourier-based search function has some benefits for this task. The application and optimization of this procedure is discussed in detail. The search function also acquires a statistical significance when used with an appropriate electron-density target and weighting, giving rise to improved results at low resolutions. Methods are discussed for building a library of protein fragments suitable for use with this procedure. These methods are demonstrated with the construction of a statistical target for the identification of short helical fragments in the electron density.

MeSH terms

  • Crystallography, X-Ray*
  • Databases, Protein
  • Fourier Analysis
  • Models, Molecular*
  • Models, Statistical
  • Peptide Fragments / chemistry
  • Proteins / chemistry*
  • Software

Substances

  • Peptide Fragments
  • Proteins