Hello,
Thank you for your great work! I have installed RFAA. However, when I run _python -m rf2aa.run_inference --config-name protein_complexsm ,I met an error.
/lustre/packages/miniforge3/envs/RFAA/lib/python3.10/site-packages/hydra/_internal/defaults_list.py:251: UserWarning: In 'protein_complex_sm': 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)
Predicting: 100%|██████████| 1/1 [00:01<00:00, 1.49s/sequences]
- 14:16:33.734 INFO: Input file = 3fap/A/hhblits/t000_.1e-10.a3m
- 14:16:33.734 INFO: Output file = 3fap/A/hhblits/t000_.1e-10.id90cov75.a3m
- 14:16:33.827 WARNING: Maximum number 100000 of sequences exceeded in file 3fap/A/hhblits/t000_.1e-10.a3m
- 14:17:38.110 INFO: Input file = 3fap/A/hhblits/t000_.1e-10.a3m
- 14:17:38.110 INFO: Output file = 3fap/A/hhblits/t000_.1e-10.id90cov50.a3m
- 14:17:38.203 WARNING: Maximum number 100000 of sequences exceeded in file 3fap/A/hhblits/t000_.1e-10.a3m
Predicting: 100%|██████████| 1/1 [00:01<00:00, 1.38s/sequences]
- 14:23:58.449 INFO: Input file = 3fap/B/hhblits/t000_.1e-10.a3m
- 14:23:58.449 INFO: Output file = 3fap/B/hhblits/t000_.1e-10.id90cov75.a3m
- 14:23:58.479 INFO: Input file = 3fap/B/hhblits/t000_.1e-10.a3m
- 14:23:58.479 INFO: Output file = 3fap/B/hhblits/t000_.1e-10.id90cov50.a3m
- 14:24:55.618 INFO: Input file = 3fap/B/hhblits/t000_.1e-6.a3m
- 14:24:55.618 INFO: Output file = 3fap/B/hhblits/t000_.1e-6.id90cov75.a3m
- 14:24:55.660 INFO: Input file = 3fap/B/hhblits/t000_.1e-6.a3m
- 14:24:55.660 INFO: Output file = 3fap/B/hhblits/t000_.1e-6.id90cov50.a3m
- 14:26:38.528 INFO: Input file = 3fap/B/hhblits/t000_.1e-3.a3m
- 14:26:38.528 INFO: Output file = 3fap/B/hhblits/t000_.1e-3.id90cov75.a3m
- 14:26:38.572 INFO: Input file = 3fap/B/hhblits/t000_.1e-3.a3m
- 14:26:38.572 INFO: Output file = 3fap/B/hhblits/t000_.1e-3.id90cov50.a3m
- 14:38:42.283 INFO: Input file = 3fap/B/hhblits/t000_.1e-3.bfd.a3m
- 14:38:42.283 INFO: Output file = 3fap/B/hhblits/t000_.1e-3.bfd.id90cov75.a3m
- 14:38:42.409 INFO: Input file = 3fap/B/hhblits/t000_.1e-3.bfd.a3m
- 14:38:42.409 INFO: Output file = 3fap/B/hhblits/t000_.1e-3.bfd.id90cov50.a3m
==============================
*** Open Babel Warning in CorrectStereoAtoms
Could not correct 1 stereocenter(s) in this molecule (ARD)
with Atom Ids as follows: 3
Please give me some suggestions to solve the problem. Thank you!
Hello, Thank you for your great work! I have installed RFAA. However, when I run _python -m rf2aa.run_inference --config-name protein_complexsm ,I met an error.
Please give me some suggestions to solve the problem. Thank you!