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Towards complete va...
Towards complete validated models in the next generation of ARP/wARP
- Article/chapterEnglish2004
Publisher, publication year, extent ...
Numbers
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LIBRIS-ID:oai:DiVA.org:uu-71939
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-71939URI
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https://doi.org/10.1107/S0907444904027556DOI
Supplementary language notes
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Language:English
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Summary in:English
Part of subdatabase
Classification
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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The design of a new versatile control system that will underlie future releases of the automated model-building package ARP/wARP is presented. A sophisticated expert system is under development that will transform ARP/wARP from a very useful model-building aid to a truly automated package capable of delivering complete, well refined and validated models comparable in quality to the result of intensive manual checking, rebuilding, hypothesis testing, refinement and validation cycles of an experienced crystallographer. In addition to the presentation of this control system, recent advances, ideas and future plans for improving the current model-building algorithms, especially for completing partially built models, are presented. Furthermore, a concept for integrating validation routines into the iterative model-building process is also presented.
Subject headings and genre
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Algorithms
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Crystallography; X-Ray
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Databases; Factual
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Decision Support Techniques
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Internet
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Models; Molecular
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Protein Conformation
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Reproducibility of Results
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Research Support; Non-U.S. Gov't
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Research Support; U.S. Gov't; P.H.S.
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Software
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Water/chemistry
Added entries (persons, corporate bodies, meetings, titles ...)
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Morris, Richard J.
(author)
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Fernandez, Francisco J.
(author)
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Ben Jelloul, Marouane
(author)
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Kakaris, Mattheos
(author)
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Parthasarathy, Venkataraman
(author)
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Lamzin, Victor S
(author)
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Kleywegt, Gerard J.Uppsala universitet,Strukturell molekylärbiologi,Strukturbiologi
(author)
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Perrakis, Anastassis
(author)
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Uppsala universitetStrukturell molekylärbiologi
(creator_code:org_t)
Related titles
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In:Acta Crystallographica Section D60:Pt 12 Pt 1, s. 2222-90907-44491399-0047
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