James Holton
Lawrence Berkeley National Laboratory
Abstract:
Efficient
determination of protein crystal structures requires automated X-ray
data analysis. I will describe the expert system, Elves, and its use to
automatically carry out MAD, SAD and MR structure determinations. All
structure calculations including indexing, data processing, locating
heavy atoms, phasing, model building and
refinement--are routinely completed without human intervention. In
difficult cases, manual intervention is made easy with an English
natural-language interface. The results demonstrate the benefits of
automated methods for determining X-ray crystal structures, and
highlight the importance of intuitive interfaces.
2008 Run
Nov 19th - Dec 22nd
