Closed denizkavi closed 8 months ago
Get the following error running the example protein config:
- 04:11:56.079 ERROR: In /opt/conda/conda-bld/hhsuite_1709621322429/work/src/hhalignment.cpp:223: Read: - 04:11:56.079 ERROR: sequence ss_pred contains no residues.
Full log:
(RFAA)~/RoseTTAFold-All-Atom$ python -m rf2aa.run_inference --config-name protein /opt/conda/envs/RFAA/lib/python3.10/site-packages/hydra/_internal/defaults_list.py:251: UserWarning: In 'protein': Defaults list is missing `_self_`. See https://hydra.cc/docs/1.2/upgrades/1.0_to_1.1/default_composition_order for more information warnings.warn(msg, UserWarning) Using the cif atom ordering for TRP. ./make_msa.sh examples/protein/7s69_A.fasta 7u7w_protein/A 4 64 /data/UniRef30_2021_06/UniRef30_2021_06 /data/pdb100_2021Mar03/pdb100_2021Mar03 Running HHblits against UniRef30 with E-value cutoff 1e-10 - 03:21:44.800 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-10.a3m - 03:21:44.800 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-10.id90cov75.a3m - 03:21:44.832 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-10.a3m - 03:21:44.832 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-10.id90cov50.a3m Running HHblits against UniRef30 with E-value cutoff 1e-6 - 03:27:33.879 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-6.a3m - 03:27:33.879 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-6.id90cov75.a3m - 03:27:33.946 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-6.a3m - 03:27:33.946 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-6.id90cov50.a3m Running HHblits against UniRef30 with E-value cutoff 1e-3 - 03:33:29.275 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-3.a3m - 03:33:29.275 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-3.id90cov75.a3m - 03:33:29.352 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-3.a3m - 03:33:29.352 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-3.id90cov50.a3m Running HHblits against BFD with E-value cutoff 1e-3 - 04:11:39.823 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-3.bfd.a3m - 04:11:39.823 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-3.bfd.id90cov75.a3m - 04:11:40.910 INFO: Input file = 7u7w_protein/A/hhblits/t000_.1e-3.bfd.a3m - 04:11:40.910 INFO: Output file = 7u7w_protein/A/hhblits/t000_.1e-3.bfd.id90cov50.a3m Running PSIPRED Running hhsearch - 04:11:56.079 ERROR: In /opt/conda/conda-bld/hhsuite_1709621322429/work/src/hhalignment.cpp:223: Read: - 04:11:56.079 ERROR: sequence ss_pred contains no residues. Error executing job with overrides: [] Traceback (most recent call last): File "/home/ubuntu/RoseTTAFold-All-Atom/rf2aa/run_inference.py", line 206, in main runner.infer() File "/home/ubuntu/RoseTTAFold-All-Atom/rf2aa/run_inference.py", line 153, in infer self.parse_inference_config() File "/home/ubuntu/RoseTTAFold-All-Atom/rf2aa/run_inference.py", line 46, in parse_inference_config protein_input = generate_msa_and_load_protein( File "/home/ubuntu/RoseTTAFold-All-Atom/rf2aa/data/protein.py", line 93, in generate_msa_and_load_protein return load_protein(str(msa_file), str(hhr_file), str(atab_file), model_runner) File "/home/ubuntu/RoseTTAFold-All-Atom/rf2aa/data/protein.py", line 66, in load_protein xyz_t, t1d, mask_t, _ = get_templates( File "/home/ubuntu/RoseTTAFold-All-Atom/rf2aa/data/protein.py", line 30, in get_templates ) = parse_templates_raw(ffdb, hhr_fn=hhr_fn, atab_fn=atab_fn) File "/home/ubuntu/RoseTTAFold-All-Atom/rf2aa/data/parsers.py", line 628, in parse_templates_raw for l in open(atab_fn, "r").readlines(): FileNotFoundError: [Errno 2] No such file or directory: '7u7w_protein/A/t000_.atab' Set the environment variable HYDRA_FULL_ERROR=1 for a complete stack trace.
Maybe you can refer to this:
https://github.com/baker-laboratory/RoseTTAFold-All-Atom/issues/31#issuecomment-1997639969
Get the following error running the example protein config:
Full log: