pharmai / plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
http://plip.biotec.tu-dresden.de
GNU General Public License v2.0
449 stars 103 forks source link

python module stuck in loop with some pdb files #131

Open ydzdfci opened 2 years ago

ydzdfci commented 2 years ago

Describe the bug stuck in infinity loop with some pdb file

To Reproduce File: 7szu.pdb1 According to the exmple provided, my_mol=PDBComplex() my_mol.load_pdb('7szu.pdb1') my_mol.analyze() The program will stay in this step when running. I tried to use timeout decorator to exit the function calling, but it did not work. I'm wondering that if there is anyway plip module can work like website that will exit after a preset time and send back exit code. Thanks