nrbennet / dl_binder_design

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FileNotFoundError in dl_binder_design when running multiple silent files in parallel #88

Open xuqiqin opened 1 month ago

xuqiqin commented 1 month ago

When I run several silent files in parallel, dl_interfacedesign.py report 'FileNotFoundError' errors for a random subset of PDB files. I found that all parallel processes were attempting to process the same temporary file, 'temp.pdb', so I need to add pdb names to avoid clashes. Solution: change pdbfile= 'temp.pdb' in line 193 to `pdbfile = f'temp{pdb}.pdb'`