منابع مشابه
Model building, refinement and validation
The CCP4 Study Weekend 2011 was held at the University of Warwick on the 6–7 January. Following a long established tradition of discussing at the Study Weekend the most important crystallographic topics, the choice for 2011 was the 'Model building, refinement and validation' triple bill. As a result of the extraordinary efforts of instrumentation and software developers, macromolecular crystall...
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Sugars are the most stereochemically intricate family of biomolecules and present substantial challenges to anyone trying to understand their nomenclature, reactions or branched structures. Current crystallographic programs provide an abstraction layer allowing inexpert structural biologists to build complete protein or nucleic acid model components automatically either from scratch or with lit...
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A procedure for carrying out iterative model building, density modification and refinement is presented in which the density in an OMIT region is essentially unbiased by an atomic model. Density from a set of overlapping OMIT regions can be combined to create a composite 'iterative-build' OMIT map that is everywhere unbiased by an atomic model but also everywhere benefiting from the model-based...
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The process of building and refining crystal structures of nucleic acids, although similar to that for proteins, has some peculiarities that give rise to both various complications and various benefits. Although conventional isomorphous replacement phasing techniques are typically used to generate an experimental electron-density map for the purposes of determining novel nucleic acid structures...
متن کاملBuilding BSP Programs Using the Refinement Calculus
We extend the refinement calculus to permit the derivation of programs in the Bulk Synchronous Parallelism (BSP) style. This demonstrates that formal approaches developed for sequential computing can be generalised to (some) parallel computing environments, and may be useful for managing some of the details of programming in such situations.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section D Biological Crystallography
سال: 2004
ISSN: 0907-4449
DOI: 10.1107/s0907444904028586