title: Automated structure solution with autoSHARP.
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.
authors.affiliation: Global Phasing Ltd., Sheraton House, Castle Park, Cambridge, UK.
authors.forename: Clemens
authors.initials: C
authors.lastname: Vonrhein
authors.forename: Eric
authors.initials: E
authors.lastname: Blanc
authors.forename: Pietro
authors.initials: P
authors.lastname: Roversi
authors.forename: Gérard
authors.initials: G
authors.lastname: Bricogne
mesh_terms: D000465:Algorithms; D003461:Crystallography / Q000379:methods; D012984:Software