Update utils/helpers.py

utils/helpers.py

@@ -109,13 +109,14 @@ def get_all_metalbinding_resids(pdb_file):
     """
 
     try:
-        prot = Molecule('files/2CBA.pdb')
+        prot = Molecule(pdb_file)
     except:
         exit("could not read file")
     prot.filter("protein")
     return prot.get(
         "index",
-        sel="name CA and resname HIS HID HIE HIP CYS CYX GLU GLH GLN ASP ASH ASN GLN MET",
+        sel="name CA and resid 94 96 119"
+        #sel="name CA and resname HIS HID HIE HIP CYS CYX GLU GLH GLN ASP ASH ASN GLN MET",
     )