The use ofVLD(vive la difference) in the molecular-replacement approach: a pipeline
| Autor: | G. Comunale, Giovanni Luca Cascarano, Carmelo Giacovazzo, Annamaria Mazzone, Benedetta Carrozzini |
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| Rok vydání: | 2013 |
| Předmět: |
Models
Molecular Data resolution Computer science Pipeline (computing) Molecular Replacement Phase (waves) Ab initio Proteins General Medicine Crystallography X-Ray Phaser VLD phasing approach Set (abstract data type) Crystallography Test case Structural Biology Molecular replacement Algorithm Algorithms |
| Zdroj: | Acta crystallographica. Section D, Biological crystallography. 69 (2013): 1038–1044. doi:10.1107/S0907444913004435 info:cnr-pdr/source/autori:Carrozzini B. 1, Cascarano G.L. 1, Comunale G. 2, Giacovazzo C. 1, Mazzone A. 1/titolo:The use of VLD (vive la difference) in the molecular-replacement approach: a pipeline/doi:10.1107%2FS0907444913004435/rivista:Acta crystallographica. Section D, Biological crystallography./anno:2013/pagina_da:1038/pagina_a:1044/intervallo_pagine:1038–1044/volume:69 |
| ISSN: | 1399-0047 0907-4449 |
| DOI: | 10.1107/s0907444913004435 |
| Popis: | VLD (vive la difference) is a novel ab initio phasing approach that is able to drive random phases to the correct values. It has been applied to small, medium and protein structures provided that the data resolution was atomic. It has never been used for non-ab initio cases in which some phase information is available but the data resolution is usually very ? far from 1 A. In this paper, the potential of VLD is tested for the first time for a classical non-ab initio problem: molecular replacement. Good preliminary experimental results encour- aged the construction of a pipeline for leading partial molecular-replacement models with errors to refined solutions in a fully automated way. The pipeline moduli and their interaction are described, together with applications to a wide set of test cases. |
| Databáze: | OpenAIRE |
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