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tmpfile created in PDBComplex is not deleted upon program exit #175

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BHM-Bob opened this issue Mar 22, 2025 · 0 comments

BHM-Bob commented Mar 22, 2025 •

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Describe the bug
tmpfile created in plip.structure.preparation.PDBComplex is not deleted upon program exit

To Reproduce
Steps to reproduce the behavior:

    mol = PDBComplex()
    mol.load_pdb(pdb_string, as_string=True)

Expected behavior
tmpfile deleted.

Python package:

OS: Ubuntu 22.04
Version 2.4.0

Additional context
In plip.structure.preparation.PDBComplex, the tmpfile created without clean up code?

pdbpath_fixed = tmpfile(prefix='plipfixed.' + basename + '_', direc=self.output_path)

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