International
Tables for Crystallography Volume B Reciprocal space Edited by U. Shmueli © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. B. ch. 3.3, p. 382
Section 3.3.3.2.4. MMS-X
aMRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 2QH, England |
The Molecular Modelling System-X (MMS-X) is a system of purpose-built hardware developed by Barry, Marshall and others at Washington University, St Louis. Associated with it are several sets of software. The St Louis software consists of a suite of programs rather than one large one and provides for the construction of a polymer chain in helical segments which may be adjusted bodily to fit the electron density, and internally also if the map requires this too. Non-helical segments are built helically initially and unwound by user-controlled rotations in single bonds. The fitting is done to visual criteria. An example of the use of this system is given by Lederer et al. (1981).
Miller et al. (1981) have described an alternative software system for the same equipment. Functions invoked from a keyboard allow dials to be coupled to dihedral angles in the structure. Their system communicates with a mainframe computer which can deliver small blocks of electron density to be contoured and stored locally by the graphics system; this provides freedom of choice of contour level at run time. An example of the use of this system is given by Abad-Zapatero et al. (1980).
References
Abad-Zapatero, C., Abdel-Meguid, S. S., Johnson, J. E., Leslie, A. G. W., Rayment, I., Rossmann, M. G., Suck, D. & Tsukihara, T. (1980). Structure of southern bean mosaic virus at 2.8 Å resolution. Nature (London), 286, 33–39.Google ScholarLederer, F., Glatigny, A., Bethge, P. H., Bellamy, H. D. & Mathews, F. S. (1981). Improvement of the 2.5 Å resolution model of cytochrome b562 by re-determining the primary structure and using molecular graphics. J. Mol. Biol. 148, 427–448.Google Scholar
Miller, J. R., Abdel-Meguid, S. S., Rossmann, M. G. & Anderson, D. C. (1981). A computer graphics system for the building of macromolecular models into electron density maps. J. Appl. Cryst. 14, 94–100.Google Scholar