Update

.ipynb_checkpoints/app-checkpoint.py

@@ -127,7 +127,7 @@ def create_chain_specific_pdb(input_pdb: str, chain_id: str, residue_scores: lis
 
         def accept_atom(self, atom):
             if atom.parent.id[1] in self.scores_dict:
-                atom.bfactor = self.scores_dict[atom.parent.id[1]] * 100
+                atom.bfactor = np.absolute(1-self.scores_dict[atom.parent.id[1]]) * 100
             return True
 
     # Prepare output PDB with selected chain and residues, modified B-factors

app.py

@@ -127,7 +127,7 @@ def create_chain_specific_pdb(input_pdb: str, chain_id: str, residue_scores: lis
 
         def accept_atom(self, atom):
             if atom.parent.id[1] in self.scores_dict:
-                atom.bfactor = self.scores_dict[atom.parent.id[1]] * 100
+                atom.bfactor = np.absolute(1-self.scores_dict[atom.parent.id[1]]) * 100
             return True
 
     # Prepare output PDB with selected chain and residues, modified B-factors