search

Zuricho / ParallelFold

Modified version of Alphafold to divide CPU part (MSA and template searching) and GPU part. This can accelerate Alphafold when predicting multiple structures
https://parafold.sjtu.edu.cn
136 stars 45 forks source link

pdb_seqres_database_path must not be set when running with "--model_preset=monomer_casp14". #33

Open mbassalbioinformatics opened 1 year ago

mbassalbioinformatics commented 1 year ago

HI

when running using the monomer_casp14 preset, get the following error

raceback (most recent call last):
  File "/home/.../tools/ParallelFold/run_alphafold.py", line 491, in <module>
    app.run(main)
  File "/home/.../anaconda3/envs/parafold/lib/python3.8/site-packages/absl/app.py", line 312, in run
    _run_main(main, args)
  File "/home/.../anaconda3/envs/parafold/lib/python3.8/site-packages/absl/app.py", line 258, in _run_main
    sys.exit(main(argv))
  File "/home/.../tools/ParallelFold/run_alphafold.py", line 362, in main
    _check_flag('pdb_seqres_database_path', 'model_preset',
  File "/home/.../tools/ParallelFold/run_alphafold.py", line 163, in _check_flag
    raise ValueError(f'{flag_name} must {verb} set when running with '
ValueError: pdb_seqres_database_path must not be set when running with "--model_preset=monomer_casp14".

suggestions to rectify this please?