We've put forward an approach that for the first time shows
how to solve structures with a high degree of internal
flexibility by global optimisation, on a time scale
that could be considered useful for routine applicability.
It therefore becomes a *viable* alternative to direct methods.
With a recent structure solution on a molecular structure,
we peaked at > 1000 structure refinements per second on
a lowly SGI O2. Maybe it'll go faster if I can figure out
the optimiser flags on the compiler. Anyone able to top that
using a full profile ?
Kenneth Shankland + Bill David
-- Dr. Kenneth Shankland,Building R3,ISIS Facility,Rutherford Appleton LaboratoryChilton,Didcot,Oxon OX11 0QX,United KingdomTel : +44 1235 44 6381 Fax : +44 1235 44 5720Email : k.shankland@rl.ac.uk