The Buccaneer software for automated model building. 1. Tracing protein chains

Acta Crystallogr D Biol Crystallogr. 2006 Sep;62(Pt 9):1002-11. doi: 10.1107/S0907444906022116. Epub 2006 Aug 19.


A new technique for the automated tracing of protein chains in experimental electron-density maps is described. The technique relies on the repeated application of an oriented electron-density likelihood target function to identify likely C(alpha) positions. This function is applied both in the location of a few promising ;seed' positions in the map and to grow those initial C(alpha) positions into extended chain fragments. Techniques for assembling the chain fragments into an initial chain trace are discussed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Automation
  • Bacillus subtilis / enzymology
  • Computational Biology / methods*
  • Crystallography, X-Ray
  • Mixed Function Oxygenases / chemistry
  • Models, Molecular
  • Models, Statistical
  • Models, Theoretical
  • Molecular Conformation
  • Probability
  • Proteins / chemistry*
  • Proteomics / methods
  • Software*


  • Proteins
  • Mixed Function Oxygenases
  • aspartic acid 2-oxoglutarate-dependent dioxygenase