Update code/alphafold_featureVector.py

code/alphafold_featureVector.py

@@ -373,10 +373,9 @@ def alphafold(input_set, mode, impute):
                 st.write('PATH')
                 st.write(pdb_path)
                 st.write('HER')
-                with gzip.open(pdb_path, mode="rt") as f:
-                    file_content = f.read()
-                    st.write(file_content)
-                    break
+                #with gzip.open(pdb_path, mode="rt") as f:
+                 #   file_content = f.read()
+                  #  st.write(file_content)
                 st.write('REH')
                 st.write('-----')
                 st.write('')
@@ -385,10 +384,9 @@ def alphafold(input_set, mode, impute):
                 st.write('HERE1')
                 st.write('uniprot', uniprotID)
                 pdb_path = hf_hub_download(repo_id="HuBioDataLab/AlphafoldStructures", filename=f"AF-{name}-F{mod}-model_v4.pdb.gz",repo_type = 'dataset')
-                with gzip.open(pdb_path, mode="rt") as f:
-                    file_content = f.read()
-                    st.write(file_content)
-                    break
+               # with gzip.open(pdb_path, mode="rt") as f:
+                #    file_content = f.read()
+                 #   st.write(file_content)
 
                 st.write('HERE2')
                 st.write('uniprotID',uniprotID)
@@ -401,6 +399,8 @@ def alphafold(input_set, mode, impute):
                 
                 st.write(get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan', 'nan', 'nan', mode, Path(path_to_output_files / '3D_alignment'),
                                      'gzip'))
+                get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan', 'nan', 'nan', mode, Path(path_to_output_files / '3D_alignment'),
+                                     'gzip')
                 if get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan', 'nan', 'nan', mode, Path(path_to_output_files / '3D_alignment'),
                                      'gzip') != None:
                     alignments, coords, resnums_for_sasa = get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan',