haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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IO file containing missing entries #882

Closed VGPReys closed 2 months ago

VGPReys commented 2 months ago

Describe the bug [2024-05-02 19:50:36,038 libutil ERROR] [Errno 2] No such file or directory: '../04_flexref/flexref_33.pdb' Traceback (most recent call last): File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/libs/libutil.py", line 335, in log_error_and_exit yield File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/clis/cli.py", line 187, in main workflow.run() File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/libs/libworkflow.py", line 43, in run step.execute() File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/libs/libworkflow.py", line 158, in execute self.module.run() # type: ignore File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/modules/base_cns_module.py", line 61, in run self._run() File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/modules/refinement/emref/init.py", line 83, in _run inp_file = prepare_cns_input( File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/libs/libcns.py", line 315, in prepare_cns_input input_str = prepare_multiple_input(pdb_list, psf_list) File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/libs/libcns.py", line 211, in prepare_multiple_input for element in libpdb.identify_chainseg(pdb): File "/trinity/login/abonvin/haddock_git/haddock3/src/haddock/libs/libpdb.py", line 205, in identify_chainseg with open(pdb_file_path) as input_handler: FileNotFoundError: [Errno 2] No such file or directory: '../04_flexref/flexref_33.pdb'

Expected behavior IO file should not contains errors