[phenixbb] Multistart simulated annealing refinement
nechols at lbl.gov
Wed Dec 8 12:10:36 PST 2010
On Wed, Dec 8, 2010 at 11:03 AM, Pavel Afonine <pafonine at lbl.gov> wrote:
> I'm not sure we have GUI for this and I guess this kind of task is best run
> from the command line anyway.
We definitely don't have a GUI for this. It wouldn't be terribly
difficult to write one, and it could be automatically parallelized
without too much extra effort. The problem is that (as Pavel just
explained to me) there are many different possible ways to combine the
output maps, and it isn't clear which would work best. So it's
potentially non-trivial to test it thoroughly. Just replicating
exactly what Korostolev et al. describe might be easier. However, my
gut feeling is that the result will be similar to kicked maps -
although without the SA-derived estimate of disorder.
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