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RosettaCommons / PyRosetta.notebooks

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
https://rosettacommons.github.io/PyRosetta.notebooks/
MIT License
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IndexError in Notebook 06.07 - Denovo Protein Design #79

Open konradpaszkiewicz opened 2 years ago

konradpaszkiewicz commented 2 years ago

Hi team,

Thanks for a great resource. I've been struggling for a few days to troubleshoot this issue. I'm getting a very cryptic index error when trying to run the redesign Chain A in this notebook.

I have tried running with 2022 (python 3.9) and 2019 (python 3.6) releases of PyRosetta installed via conda, but the error persists.

I'd be grateful for any suggestions.

All the best,

Konrad.

Denovo Protein Design Notebook Output.pdf image

hklz commented 1 year ago

Hi Konrad,

I meet the same error. Do you have any idea?

Thank you!

hklz commented 1 year ago

I think is the virtual root problem. I comment out the virtual_root.apply(pose) in design part, andchange the pose_chBC.chain_end(3)-1 part to pose_chBC.chain_end(3) and it works for me.