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Re: [IMP-users] save values of RestraintsScoringFunction to RMF



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
--
ben@salilab.org                      https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle