Tables for
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

International Tables for Crystallography (2006). Vol. F, ch. 25.2, p. 705

Section NC symmetry operator conversions

W. Fureya* NC symmetry operator conversions

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The program O_TO_SP is provided to convert NC symmetry operators expressed in terms of a 3 × 3 rotation matrix and 1 × 3 translation vector to the PHASES-style spherical polar system described earlier. Although originally written to convert the transformation operator as defined in the O program (Jones et al., 1991[link]), the procedure works for any rotation or translation operator expressed in this form, provided that the operator is applicable to Cartesian coordinates in Å orthogonalized as in the Protein Data Bank (Bernstein et al., 1977[link]).


Bernstein, F. C., Koetzle, T. F., Williams, G. J. B., Meyer, E. F. Jr, Brice, M. D., Rodgers, J. R., Kennard, O., Shimanouchi, T. & Tasumi, M. (1977). The Protein Data Bank: a computer-based archival file for macromolecular structures. J. Mol. Biol. 112, 535–542.Google Scholar
Jones, T. A., Zou, J.-Y., Cowan, S. W. & Kjeldgaard, M. (1991). Improved methods for building protein models in electron density maps and the location of errors in these models. Acta Cryst. A47, 110–119.Google Scholar

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