fatmacankara commited on
Commit
cceefd7
·
1 Parent(s): 4927bbb

Update pdb_featureVector.py

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Files changed (1) hide show
  1. pdb_featureVector.py +3 -7
pdb_featureVector.py CHANGED
@@ -225,7 +225,7 @@ def pdb(input_set, mode, impute):
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  for search in pdbs:
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  # Step 1: Fetch the PDB file
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  pdb_url = f"https://files.rcsb.org/download/{search}.pdb"
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- st.write
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  try:
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  response = requests.get(pdb_url)
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  response.raise_for_status() # Check for a successful response
@@ -289,11 +289,7 @@ def pdb(input_set, mode, impute):
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  index += 1
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  print()
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- st.write()
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- st.write('pdb_info')
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- st.write(pdb_info)
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- st.write('pdb_fasta')
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- st.write(pdb_fasta)
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  print('PDB file processing finished..')
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  for filename in list(Path(path_to_output_files / 'pdb_structures').glob("*")):
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  try:
@@ -436,7 +432,7 @@ def pdb(input_set, mode, impute):
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  st.write(dfM)
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  st.write('dfNM')
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  st.write(dfNM)
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-
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  print('Aligning sequences...\n')
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  aligned_m = final_stage(dfM, annotation_list, Path(path_to_output_files / 'alignment_files'))
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  aligned_nm = final_stage(dfNM, annotation_list, Path(path_to_output_files / 'alignment_files'))
 
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  for search in pdbs:
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  # Step 1: Fetch the PDB file
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  pdb_url = f"https://files.rcsb.org/download/{search}.pdb"
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+ st.write(search)
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  try:
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  response = requests.get(pdb_url)
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  response.raise_for_status() # Check for a successful response
 
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  index += 1
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  print()
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+
 
 
 
 
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  print('PDB file processing finished..')
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  for filename in list(Path(path_to_output_files / 'pdb_structures').glob("*")):
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  try:
 
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  st.write(dfM)
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  st.write('dfNM')
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  st.write(dfNM)
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+ st.write(annotation_list)
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  print('Aligning sequences...\n')
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  aligned_m = final_stage(dfM, annotation_list, Path(path_to_output_files / 'alignment_files'))
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  aligned_nm = final_stage(dfNM, annotation_list, Path(path_to_output_files / 'alignment_files'))