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metal3d

Runtime error

simonduerr commited on Jun 2, 2022

Commit

933fa10

1 Parent(s): d940adf

Update utils/voxelization.py

Files changed (1) hide show

utils/voxelization.py CHANGED Viewed

@@ -177,7 +177,7 @@ def processStructures(pdb_file, resids, clean=True):
     # load molecule using MoleculeKit
     try:
-        prot = Molecule(pdb_file)
     except:
         raise IOError("could not read pdbfile")

     # load molecule using MoleculeKit
     try:
+        prot = Molecule('files/2CBA.pdb')
     except:
         raise IOError("could not read pdbfile")