Abstract

The VLD algorithm relies on the properties of the difference Fourier synthesisand is designed for solving crystal structures in the correct space group, startingfrom random models. The standard approach has been modified by integrating itwith the RELAX procedure, for translating to the correct position misplacedbut correctly oriented models. A better control of the parameters and additionalphase refinement cycles were able to improve the quality of the solutions and tomake superfluous, for macromolecules and medium-sized molecules, the least-squares refinement cycles that, in the standard VLD approach, follow thephasing step. As a result, the efficiency of the new VLD algorithm is stronglyincreased; it has been checked using a wide variety of practical cases andcompared with the effectiveness of direct methods.

Autore Pugliese

• Carrozzini Benedetta , Cascarano Giovanni Luca

Tutti gli autori

• Burla M.C. ; Carrozzini B. ; Cascarano G.L. ; Giacovazzo C. ; Polidori G.

Titolo volume/Rivista

Journal of applied crystallography

Anno di pubblicazione

2011

ISSN

0021-8898

ISBN

Non Disponibile

Numero di citazioni Wos

Nessuna citazione

Ultimo Aggiornamento Citazioni

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Numero di citazioni Scopus

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Ultimo Aggiornamento Citazioni

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Settori ERC

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Codici ASJC

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