Update code/alphafold_featureVector.py

code/alphafold_featureVector.py

@@ -247,16 +247,12 @@ def alphafold(input_set, mode, impute):
  'Q8WZ42': 332}
     for k, v in model_count.items():
         model_count[k] = int(v / 2)  # two types of files for each file.
-        st.write(model_count)
     uniprot_matched = uniprot_matched.astype(str)
     uniprot_matched.domStart = uniprot_matched.domStart.astype(float)
     uniprot_matched.domEnd = uniprot_matched.domEnd.astype(float)
     uniprot_matched.domStart = uniprot_matched.domStart.astype(int)
     uniprot_matched.domEnd = uniprot_matched.domEnd.astype(int)
 
-    st.write('uniprot_matched')
-    st.write(uniprot_matched)
-
     ## Main part to add annotation information, align sequences, finding distances
 
     for i in uniprot_matched.index:
@@ -370,10 +366,10 @@ def alphafold(input_set, mode, impute):
                         except:
                             KeyError
                     info_per_model[mod][annot] = annotation_pos_on_pdb_
-
+                print('HERE1')
                 #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")
-
+                print('HERE2')
                 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: