Access data of the movements performed and if they were rejected or no

[robertoimuno]

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 and the score calculated after every cycle. Is it possible to access more specific data about my modelling?

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): 1/5 1/10 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.loops.loop_mover.refine.LoopRefineInnerCycle: Setting up data for ShearMinCCDTrial. core.pack.task: Packer task: initialize from command line() core.pack.task: Packer task: initialize from command line()

Thank you in advance.

Kind regards,

Roberto