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Error when I run Sampling protein backbones #19

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ddongcui opened this issue Mar 16, 2023 · 3 comments
Open

Error when I run Sampling protein backbones #19

ddongcui opened this issue Mar 16, 2023 · 3 comments

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@ddongcui
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I have an AssertionError: Expected /home/myname/projects to be empty!
My File Structure is:/home/myname/projects/foldingdiff-main or /home/myname/projects/folddiff
Sadly,None of them works. The error message is always AssertionError
Can you show me a solution?

@wukevin
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wukevin commented Mar 28, 2023

There are many assertion checks in the codebase, can you be more specific about exactly what error you are seeing?

@ddongcui
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There are many assertion checks in the codebase, can you be more specific about exactly what error you are seeing?

I am using command line like :python bin/pdb_to_residue_proteinmpnn.py sampled_pdb。
This show me an assertion error as follow:
raceback (most recent call last):
File "bin/pdb_to_residue_proteinmpnn.py", line 138, in
main()
File "bin/pdb_to_residue_proteinmpnn.py", line 131, in main
seqs = generate_residues_proteinmpnn(pdb_fname, n_sequences=args.num, temperature=args.temperature)
File "bin/pdb_to_residue_proteinmpnn.py", line 74, in generate_residues_proteinmpnn
assert retval == 0, f"Command {cmd} failed with return value {retval}"
AssertionError: Command python ~/software/ProteinMPNN/protein_mpnn_run.py --pdb_path_chains A --out_folder /tmp/tmpl9fdpa8t --num_seq_per_target 8 --seed 1234 --batch_size 8 --pdb_path sampled_pdb/generated_703.pdb --sampling_temp "0.1" --ca_only failed with return value 2
please tell me how to solve it?

@wukevin
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wukevin commented Mar 29, 2023

The script you're calling expects that ProteinMPNN is installed under ~/software/ProteinMPNN/; if that is not the case it will error out. Is that what might be causing the issue here?

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