wells-wood-research / alphafold2-multiprocessing

Use AlphaFold by Deep Mind in Batch Mode + Multiprocessing
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FileNotFoundError: [Errno 2] No such file or directory: XXX.a3m #2

Open NikolaTeslein opened 3 years ago

NikolaTeslein commented 3 years ago

Hello! I am encountering a problem as below, —————————————————————————————————————————————————— python run_fold.py --workers 1 --num_models 1 --input_file ../Input_Seq/2pgf.fasta Starting 2PGF_1|ChainA|adenosine_deaminase|Plasmodiumvivax(5855) sh: 1: ./msa2.bsh: Permission denied multiprocessing.pool.RemoteTraceback: """ Traceback (most recent call last): File "/home/teslein/miniconda3/envs/fold/lib/python3.7/multiprocessing/pool.py", line 121, in worker result = (True, func(*args, **kwds)) File "/home/teslein/miniconda3/envs/fold/lib/python3.7/multiprocessing/pool.py", line 47, in starmapstar return list(itertools.starmap(args[0], args[1])) File "run_fold.py", line 114, in run_model a3m_lines = "".join(open(f"{jobname}.a3m", "r").readlines()) FileNotFoundError: [Errno 2] No such file or directory: '2PGF_1ChainAadenosine_deaminasePlasmodium_vivax_5855.a3m' """

The above exception was the direct cause of the following exception:

Traceback (most recent call last): File "run_fold.py", line 304, in main(params) File "run_fold.py", line 287, in main list(predicted_sequence_dict.keys()), File "/home/teslein/miniconda3/envs/fold/lib/python3.7/multiprocessing/pool.py", line 276, in starmap return self._map_async(func, iterable, starmapstar, chunksize).get() File "/home/teslein/miniconda3/envs/fold/lib/python3.7/multiprocessing/pool.py", line 657, in get raise self._value FileNotFoundError: [Errno 2] No such file or directory: '2PGF_1ChainAadenosine_deaminasePlasmodium_vivax_5855.a3m' ———————————————————————————————————————————————— Hope for a resolution !

universvm commented 3 years ago

Hi there, could you try to place the "2pgf.fasta" file in the same folder as this repo?

Essentially run this:

python run_fold.py --workers 1 --num_models 1 --input_file 2pgf.fasta

Apologies for the delay, I'm currently working on my Master's dissertation and have not seen this earlier.

universvm commented 3 years ago

Also, I see a couple of permission denied errors. Could you try to run:

chmod u+x dependency_install.bsh
chmod u+x msa2.bsh