Automated main-chain model building by template matching and iterative fragment extension

  title={Automated main-chain model building by template matching and iterative fragment extension},
  author={Thomas C. Terwilliger},
  booktitle={Acta crystallographica. Section D, Biological crystallography},
An algorithm for the automated macromolecular model building of polypeptide backbones is described. The procedure is hierarchical. In the initial stages, many overlapping polypeptide fragments are built. In subsequent stages, the fragments are extended and then connected. Identification of the locations of helical and beta-strand regions is carried out by FFT-based template matching. Fragment libraries of helices and beta-strands from refined protein structures are then positioned at the… CONTINUE READING
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