Update code/alphafold_featureVector.py

code/alphafold_featureVector.py

@@ -689,10 +689,11 @@ def alphafold(input_set, mode, impute):
                     alignments = alignments[0]
                     st.write('existing_free_sasa', existing_free_sasa)
                     st.write('existing_free_sasa', existing_free_sasa)
-                    if ID not in existing_free_sasa:
-                        fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
-                        st.write(fullID)
-                        run_freesasa(pdb_path, Path(path_to_output_files / f'freesasa_files/AF-{uniprotID}-F{mod}.txt'), include_hetatms=True,outdir=None, force_rerun=False)
+                    
+                    
+                    #fullID = f'AF-{uniprotID}-F{mod}-model_v4.pdb.gz'
+                    #st.write(fullID)
+                    run_freesasa(pdb_path, Path(path_to_output_files / f'freesasa_files/AF-{uniprotID}-F{mod}.txt'), include_hetatms=True,outdir=None, force_rerun=False)
                     st.write('Calculated')
                     #calculate_freesasa(uniprotID, mod, existing_free_sasa, alphafold_path, path_to_output_files)
                     if (mutationPositionOnPDB != 'nan'):