THE APPLICATION OF SHAKE AND BAKE TO UNSOLVED STRUCTURES. R. Curtis Haltiwanger, Drake S. Eggleston, SmithKline Beecham Pharmaceuticals, UW-2950, P.O. Box 1539, King of Prussia, PA 19406

Shake and Bake(SnB)¹, an ab initio dual-space, multiple-solution direct-methods procedure is a powerful addition to the suite of modern structure solution packages. We have successfully applied it to several previously unsolved structures of varying complexity. These vary from a 220 atom structure in space group P2₁ to a 120 atom structure in space group P1. Details of the implementation and successful application of SnB in our laboratory will be presented.

¹ R. Miller, S. M. Gallo, H. G. Khalak, and C. M. Weeks, J. Appl. Cryst. 27, 613-621(1994)