ARCIMBOLDO_LITE: single-workstation implementation and use.
Acta Crystallogr D Biol Crystallogr
; 71(Pt 9): 1921-30, 2015 Sep.
Article
en En
| MEDLINE
| ID: mdl-26327382
ABSTRACT
ARCIMBOLDO solves the phase problem at resolutions of around 2â
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 2.2â
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.
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Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Sistemas de Administración de Bases de Datos
/
Computadores
/
Proteínas
Idioma:
En
Revista:
Acta Crystallogr D Biol Crystallogr
Año:
2015
Tipo del documento:
Article
País de afiliación:
España