A new vector-search rotation function: image-seeking functions revisited in macromolecular crystallography. NLM AIDSLINE Important note: Information in this article was accurate in 2000. The state of the art may have changed since the publication date.

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A new vector-search rotation function: image-seeking functions revisited in macromolecular crystallography.

Acta Crystallogr D Biol Crystallogr. 2000 Jun;56 ( Pt 6):735-46. Unique Identifier : AIDSLINE MED/20280188
Borge J; Alvarez-Rua C; Garcia-Granda S; Departamento de Quimica Fisica y Analitica, Facultad de; Quimica, Universidad de Oviedo, Spain.; jjba@sauron.quimica.uniovi.es

Abstract: A new rotation function in Patterson space is described. An image-seeking function can be defined as a criterion of fit between the observed Patterson map and a suitable vector set extracted from a specially calculated Patterson map of the search model. The behaviour of image-seeking functions has appeared to be heavily dependent on certain relations between some statistical parameters of both maps. A new algorithm, which carries out the crucial step of selecting the appropriate vector set from the search model, has been established. As a consequence of the combination of these two preceding results, a new vector-search rotation function has been proposed and tested.
Keywords: JOURNAL ARTICLE Algorithms Apoproteins/CHEMISTRY Azurin/CHEMISTRY Bacterial Proteins/CHEMISTRY Comparative Study Computer Simulation Crystallography, X-Ray/*METHODS HIV-1 Reverse Transcriptase/CHEMISTRY Image Enhancement/*METHODS Macromolecular Systems Models, Chemical Models, Molecular Phosphoenolpyruvate Sugar Phosphotransferase System/CHEMISTRY Rubredoxins/CHEMISTRY Software Solutions Support, Non-U.S. Gov'tKWDjournalarticlealgorithmsapoproteins/chemistryazurin/chemistrybacterialproteins/chemistrycomparativestudycomputersimulationcrystallography,x-ray/KWDmethodshiv-1reversetranscriptase/chemistryimageenhancement/KWDmethodsmacromolecularsystemsmodels,chemicalmodels,molecularphosphoenolpyruvatesugarphosphotransferasesystem/chemistryrubredoxins/chemistrysoftwaresolutionssupport,non-uKWDsKWDgov't
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