Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Access data of the movements performed and if they were rejected or no #75

Open
robertoimuno opened this issue Jan 5, 2022 · 0 comments

Comments

@robertoimuno
Copy link

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

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant