Hi,
I am using Pyrosetta to model different peptides in low and high resolution with algorithms such as CCD and KIC and so far it is working fine. Even though the results I am getting are fine, I wanted to know more about what Pyrosetta is doing in the background, so I started looking into the info that is printed during the modelling but it seems that I can only access data like the inner/outer cycles, the score calculated after every cycle and the proportion of accepted movements after every decoy is finished. Is it possible to access more specific data about my modelling like, the amino acid that was moved every time and how much wether the movement was accepted or no?
Here is an example of the info I can access;
protocols.loops.loop_mover.refine.LoopMover_Refine_CCD: cycle: 1 -300.2965
protocols.loops.loop_mover.refine.LoopMover_Refine_CCD: refinement cycle (outer/inner): 5/5 10/10
protocols.loops.loop_mover.refine.LoopRefineInnerCycle: Setting up data for LoopRefineInnerCycleContainer.
protocols.loops.loop_mover.refine.LoopRefineInnerCycle: Setting up data for SmallMinCCDTrial.
core.pack.task: Packer task: initialize from command line()
core.pack.task: Packer task: initialize from command line()
protocols.moves.MonteCarlo: MonteCarlo:: last_accepted_score,lowest_score: -340.47098 -340.47098
protocols.moves.TrialCounter: repack trials= 6; accepts= 1.0000; energy_drop/trial= -0.03988 protocols.moves.TrialCounter: shear_ccd_min trials= 50; accepts= 0.7600; energy_drop/trial= 0.10615 protocols.moves.TrialCounter: small_ccd_min trials= 50; accepts= 0.6600; energy_drop/trial= -0.03768
Thank you in advance.
Kind regards,
Roberto