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Running Docker Container Gives Error and PyRosetta Can't Parse Docking Script #13

@ryanputerbaugh

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@ryanputerbaugh

Hello,

I tried running the docker container within windows command prompt using this command:
docker run -it -v ./alpha-red:/alpha-red rosettacommons/apps:alpha-red alpha-red A_B PAMMAAAQAALQSSWGMMGMLASQQNQ:PAMMAAAQAALQSSWGMMGMLASQQNQ

and ended up with the the error:
TypeError: expected str, bytes or os.PathLike object, not NoneType

From what I can tell it's something to do with my Cuda drivers and localColabfold but I'm using Cuda 12.9 and can run localColabfold fine on my system

I also tried to run your pipeline locally and generated structures fine with localColabfold but when I tried to parse the global docking dock.xml in PyRosetta I got this error:
ERROR: cannot open file hamiltonians_cen.txt
ERROR:: Exit from: /home/benchmark/rosetta/source/src/protocols/canonical_sampling/HamiltonianExchange.cc line: 497

I spent like 15 min trying to change the permissions of the hamiltonians_cen.txt file before asking a LLM for help and it told me that the Movers in the script are not available in PyRosetta only Rosetta. Is this true, do I need to specifically use Rosetta?

Any help would be appreciated. Really wanted to see if I could use this software to computationally screen PPIs

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