The design and implementation ofSnBversion 2.0

Abstract

SnBis a direct-methods program based on theShake-and-Bakemethodology. It has been used to solve difficult or large structures that could not be solved by traditional reciprocal-space routines based on the tangent formula. Recently, it has also been used to determine the Se sites in large selenomethionyl-substituted proteins.SnBversion 1.5 has been available for several years and is being used regularly in many laboratories. In this paper, we introduceSnBversion 2.0, which incorporates a graphical user interface written in Java, a dynamic histogram display, and an interactive Java/VRML-based visualization facility. In addition, it provides the user with several utility routines and a variety of new algorithmic options.