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Error when I run Sampling protein backbones

Open ddongcui opened this issue 2 years ago • 3 comments

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?

ddongcui avatar Mar 16 '23 16:03 ddongcui

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

wukevin avatar Mar 28 '23 01:03 wukevin

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?

ddongcui avatar Mar 29 '23 05:03 ddongcui

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?

wukevin avatar Mar 29 '23 17:03 wukevin