Update code/alphafold_featureVector.py

code/alphafold_featureVector.py

@@ -83,10 +83,7 @@ def alphafold(input_set, mode, impute):
     #out_path = path_to_output_files / 'log.txt'
     #sys.stdout = open(out_path, 'w')
     alphafold_path = hf_hub_download(repo_id="HuBioDataLab/AlphafoldStructures",repo_type = 'dataset', filename="AF-A0A075B7D0-F1-model_v4.pdb.gz")
-    st.write('aldjflsjflsjfld')
-    st.write(alphafold_path)
-    print('Creating directories...')
-    st.write(data)
+
     #file_base = str(Path(alphafold_path / '*'))
     #file_str = glob.glob(file_base)[0].split('-')[-1].split('.')[0]
     #file_str = 
@@ -340,8 +337,10 @@ def alphafold(input_set, mode, impute):
                             KeyError
                     info_per_model[mod][annot] = annotation_pos_on_pdb_
 
-                pdb_path = Path(f'{alphafold_path}/AF-{uniprotID}-F{mod}-{file_str}.pdb.gz')
+                #pdb_path = Path(f'{alphafold_path}/AF-{uniprotID}-F{mod}-{file_str}.pdb.gz')
+                pdb_path= hf_hub_download(repo_id="HuBioDataLab/AlphafoldStructures",repo_type = 'dataset', filename=f"AF-{uniprotID}-F{mod}-model_v4.pdb.gz")
 
+                st.write(pdb_path)
                 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',