Automated structure solution with autoSHARP - PubMed (original) (raw)
Automated structure solution with autoSHARP
Clemens Vonrhein et al. Methods Mol Biol. 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.
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