title: The Buccaneer software for automated model building. 1. Tracing protein chains.
abstract: 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.
authors.affiliation: Department of Chemistry, University of York, Heslington, York YO10 5DD, England. cowtan@ysbl.york.ac.uk
authors.forename: Kevin
authors.initials: K
authors.lastname: Cowtan
mesh_terms: D000465:Algorithms; D001331:Automation; D001412:Bacillus subtilis / Q000201:enzymology; D019295:Computational Biology / Q000379:methods*; D018360:Crystallography, X-Ray; D006899:Mixed Function Oxygenases / Q000737:chemistry; D008958:Models, Molecular; D015233:Models, Statistical; D008962:Models, Theoretical; D008968:Molecular Conformation; D011336:Probability; D011506:Proteins / Q000737:chemistry*; D040901:Proteomics / Q000379:methods; D012984:Software
chemical_list: D011506:Proteins; D006899:Mixed Function Oxygenases; C058291:aspartic acid 2-oxoglutarate-dependent dioxygenase