A subgroup algorithm to identify cross-rotation peaks consistent with non-crystallographic symmetry.

@article{Lilien2004ASA,
  title={A subgroup algorithm to identify cross-rotation peaks consistent with non-crystallographic symmetry.},
  author={Ryan H. Lilien and Chris Bailey-Kellogg and Amy C. Anderson and Bruce Randall Donald},
  journal={Acta crystallographica. Section D, Biological crystallography},
  year={2004},
  volume={60 Pt 6},
  pages={1057-67}
}
Molecular replacement (MR) often plays a prominent role in determining initial phase angles for structure determination by X-ray crystallography. In this paper, an efficient quaternion-based algorithm is presented for analyzing peaks from a cross-rotation function in order to identify model orientations consistent with proper non-crystallographic symmetry (NCS) and to generate proper NCS-consistent orientations missing from the list of cross-rotation peaks. The algorithm, CRANS, analyzes the… CONTINUE READING
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