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Author Lesk, Arthur M.
Source ACM Digital Library
Content type Text
Publisher Association for Computing Machinery (ACM)
File Format PDF
Language English
Subject Keyword X-ray crystallography ♦ Pictorial pattern recognition ♦ Phase problem ♦ Interactive graphics
Abstract The availability of interactive, three-dimensional, computer graphics systems coupled to powerful digital computers encourages the development of algorithms adapted to this environment. Pictorial pattern recognition techniques make possible a number of approaches to X-ray structure determination based on molecular model building, i.e. the use of chemical information to frame “structural hypotheses” which can computationally be tested and refined by reference to the experimental data.Application of standard pattern recognition algorithms is hindered by the fact that the cross-correlation between a model and the correct structure cannot be computed because of a fundamental incompleteness in the measured data. However, it is possible to compute an upper bound to such a cross-correlation. A simple example demonstrates that this information can be the basis of a technique for structure determination that can make effective use of an interactive graphics system.Model building by cross-correlations has intrinsic advantages over usual crystallographic techniques based on the autocorrelation or Patterson function, especially for large structures. This is significant, for crystallography of biological macromolecules has been and will continue to be a field of intense interest.
Description Affiliation: Princeton Univ., Princeton, NJ (Lesk, Arthur M.)
Age Range 18 to 22 years ♦ above 22 year
Educational Use Research
Education Level UG and PG
Learning Resource Type Article
Publisher Date 2005-08-01
Publisher Place New York
Journal Communications of the ACM (CACM)
Volume Number 15
Issue Number 1
Page Count 4
Starting Page 3
Ending Page 6


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Source: ACM Digital Library