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International
Tables for Crystallography Volume F Crystallography of biological macromolecules Edited by M. G. Rossmann and E. Arnold © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. F. ch. 25.2, p. 705
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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]](/graphics/greenarr.gif)
), 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).
References
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
