Molecular scene analysis: the integration of direct-methods and artificial-intelligence strategies for solving protein crystal structure.
A knowledge-based approach to crystal structure determination is presented. The approach integrates direct-methods and artificial-intelligence strategies to rephrase the structure determination process as an exercise in scene analysis. A general joint probability distribution framework, which allows the incorporation of isomorphous replacement, anomalous scattering and a priori structural information, forms the basis of the direct-methods strategies. The accumulated knowledge on crystal and molecular structures is exploited through the use of artificial-intelligence strategies, which include techniques of knowledge representation, search and machine learning.
Fortier
S
S
Department of Chemistry, Queen's University, Kingston, Canada.
Castleden
I
I
Glasgow
J
J
Conklin
D
D
Walmsley
C
C
Leherte
L
L
Allen
F H
FH