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

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.

Pubmed ID: 16929101 RIS Download

Mesh terms: Algorithms | Automation | Bacillus subtilis | Computational Biology | Crystallography, X-Ray | Mixed Function Oxygenases | Models, Molecular | Models, Statistical | Models, Theoretical | Molecular Conformation | Probability | Proteins | Proteomics | Software