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PHATS

PHATS. acorn based density modification for substructure determination. History. Mid 2007 (major activity) EJD – acorn does not do substructure determination well as it does not do random omit Give it a try. Outline. HySS + Acorn + Charge flipping translation search for initial sites

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PHATS

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  1. PHATS acorn based density modification for substructure determination

  2. History • Mid 2007 (major activity) • EJD – acorn does not do substructure determination well as it does not do random omit • Give it a try

  3. Outline • HySS + Acorn + Charge flipping • translation search for initial sites • density modification based on ρ2 and ρ3 • charge flipping to explore parameter space (code from Kevin Cowtan – TBI) • translation search + phase deviation for bringing back to origin

  4. Ongoing • Investigate stability of algorithm • density modification techniques have a long and not so glorious history for direct methods • Early termination based upon distribution of CC/CCweak • integration into pre-existing pipelines

  5. Timescale • Dependent on workload, currently not a high priority so only being developed intermittently.

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