[IMP-users] save values of RestraintsScoringFunction to RMF

[Jan Kosinski <>]

Hi,

Is it possible to save the total score to the RMF file with 
IMP.rmf.SaveOptimizerState?

Basically, I am saving a Monte Carlo trajectory with restraints like this:

            rmf = RMF.create_rmf_file('out.rmf')
            IMP.rmf.add_hierarchy(rmf, hierarchy)
            IMP.rmf.add_restraints(rmf, restraints)
            opt_state = IMP.rmf.SaveOptimizerState(model, rmf)
            opt_state.update_always("initial conformation")
            opt_state.set_period(10)

            my_score_function = 
IMP.core.RestraintsScoringFunction(restraints, "scoring function")
            o = IMP.core.MonteCarlo(model)
            o.add_optimizer_state(opt_state)
            o.set_scoring_function(my_score_function)

Then I can nicely see the changes in the values of individual restraints 
using Chimera RMF viewer.

But, I would like to see also how the my_score_function value changed 
over the optimization. Is it possible with IMP.rmf.SaveOptimizerState?

Thanks in advance,
Jan