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ARCIMBOLDO-LITE: Single-workstation implementation and use

AutorSammito, Massimo ; Millán, Claudia ; Frieske, Dawid; Rodríguez-Freire, Eloy; Borges, Rafael J.; Usón, Isabel
Palabras clavephasing
ARCIMBOLDO_BORGES
ab initio
small fragments.
Fecha de publicación25-ago-2015
EditorBlackwell Publishing
CitaciónActa Crystallographica Section D: Biological Crystallography 71(9): 1921-1930 (2015)
Resumen© 2015 International Union of Crystallography. ARCIMBOLDO solves the phase problem at resolutions of around 2 Å or better through massive combination of small fragments and density modification. For complex structures, this imposes a need for a powerful grid where calculations can be distributed, but for structures with up to 200 amino acids in the asymmetric unit a single workstation may suffice. The use and performance of the single-workstation implementation, ARCIMBOLDO-LITE, on a pool of test structures with 40-120 amino acids and resolutions between 0.54 and 2.2 Å is described. Inbuilt polyalanine helices and iron cofactors are used as search fragments. ARCIMBOLDO-BORGES can also run on a single workstation to solve structures in this test set using precomputed libraries of local folds. The results of this study have been incorporated into an automated, resolution- and hardware-dependent parameterization. ARCIMBOLDO has been thoroughly rewritten and three binaries are now available: ARCIMBOLDO-LITE, ARCIMBOLDO-SHREDDER and ARCIMBOLDO-BORGES. The programs and libraries can be downloaded from http://chango.ibmb.csic.es/ARCIMBOLDO-LITE.
Versión del editorhttp://dx.doi.org/10.1107/S1399004715010846
URIhttp://hdl.handle.net/10261/123866
DOI10.1107/S1399004715010846
Identificadoresdoi: 10.1107/S1399004715010846
issn: 1399-0047
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