24 Jun
2016
24 Jun
'16
1:29 p.m.
On 6/21/16 6:23 AM, Jan Kosinski wrote: > Is it possible to save the total score to the RMF file with > IMP.rmf.SaveOptimizerState?
That seems redundant since the scores of all the individual restraints are already written to the RMF file, so it would just be duplicating information. You could certainly ask the Chimera folks to improve their RMF viewer to display totals of selected subsets of restraints. Alternatively you could put all of your restraints into a RestraintSet (which internally sums restraint scores), and add that to the RMF file.
Ben
--
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"It is a capital mistake to theorize before one has data."
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