[IMP-users] Visualizing entire scoring function (Optimization)

["Hughes, Katelyn Jean" <>]

Hello,

Is there currently a way to return every score generated by the scoring function (or the function itself) during the optimization stage? From what I've tried, I can only retrieve an object or a number with the final score/best score. I'm currently using Conjugate Gradients. If not, is there a way to do this with MC?

I would like to use a package like matplotlib (or gnuplot, if that's easier, as I see that your Replica Exchange feature uses gnuplot) to generate a plot for all of the scores from the scoring function.

Thank you,
Katie

Worcester Polytechnic Institute
Korkin Lab