We present here the automated structure solution pipeline "autoSHARP." It is built around the heavy-atom, refinement and phasing program SHARP, the density modification program SOLOMON, and the ARP/wARP package for automated model building and refinement (using REFMAC). It allows fully automated structure solution, from merged reflection data to an initial model, without any user intervention. We describe and discuss the preparation of the user input, the data flow through the pipeline, and the various results obtained throughout the procedure. © Humana Press Inc.
Automated structure solution with autoSHARP
Roversi P.Formal Analysis
;
2007
Abstract
We present here the automated structure solution pipeline "autoSHARP." It is built around the heavy-atom, refinement and phasing program SHARP, the density modification program SOLOMON, and the ARP/wARP package for automated model building and refinement (using REFMAC). It allows fully automated structure solution, from merged reflection data to an initial model, without any user intervention. We describe and discuss the preparation of the user input, the data flow through the pipeline, and the various results obtained throughout the procedure. © Humana Press Inc.File in questo prodotto:
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