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Make_dataset.py ERROR #15

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@azir12345

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@azir12345
2024-10-19 17:45:27,444 INFO 524527: For complex pdb4jsq.pdb found 96 pairs out of 30 chains
multiprocess.pool.RemoteTraceback: 
"""
Traceback (most recent call last):
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/parallel.py", line 78, in submit_helper
    return function(*inputs)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/atom3/pair.py", line 101, in complex_to_pairs
    pdb = db.get_pdb_code(name)(f) + f[f.rfind('_') + 1: f.find('.')]
TypeError: 'str' object is not callable

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/multiprocess/pool.py", line 125, in worker
    result = (True, func(*args, **kwds))
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/multiprocess/pool.py", line 48, in mapstar
    return list(map(*args))
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/pathos/helpers/mp_helper.py", line 15, in <lambda>
    func = lambda args: f(*args)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/parallel.py", line 80, in submit_helper
    exc_buffer = StringIO.StringIO()
AttributeError: type object '_io.StringIO' has no attribute 'StringIO'
"""

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

Traceback (most recent call last):
  File "/root/DIPS-master/src/make_dataset.py", line 45, in <module>
    main()
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 1157, in __call__
    return self.main(*args, **kwargs)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 1078, in main
    rv = self.invoke(ctx)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 1434, in invoke
    return ctx.invoke(self.callback, **ctx.params)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 783, in invoke
    return __callback(*args, **kwargs)
  File "/root/DIPS-master/src/make_dataset.py", line 38, in main
    pair.all_complex_to_pairs(complexes, get_pairs, pairs_dir, num_cpus)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/atom3/pair.py", line 79, in all_complex_to_pairs
    par.submit_jobs(complex_to_pairs, inputs, num_cpus)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/parallel.py", line 59, in submit_jobs
    out = res.get()
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/multiprocess/pool.py", line 771, in get
    raise self._value
AttributeError: type object '_io.StringIO' has no attribute 'StringIO'

I ran it 3 times, and each time it was terminated at pdb4jsq.pdb. After changing make_dataset.py and adding the error output, I found the above error, but it can work normally when data/DIPS/raw/pdb/js is entered separately.

2024-10-19 18:03:10,445 INFO 524699: For complex pdb4jsq.pdb found 96 pairs out of 30 chains
2024-10-19 18:03:11,783 INFO 524694: For complex pdb6jsi.pdb found 15 pairs out of 9 chains
Traceback (most recent call last):
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 1088, in main
    ctx.exit()
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 692, in exit
    raise Exit(code)
click.exceptions.Exit: 0

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/root/DIPS-master/src/make_dataset.py", line 45, in <module>
    main()
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 1157, in __call__
    return self.main(*args, **kwargs)
  File "/root/miniconda3/envs/dips3/lib/python3.9/site-packages/click/core.py", line 1106, in main
    sys.exit(e.exit_code)
SystemExit: 0

Has anyone encountered this situation?

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