fatmacankara commited on
Commit
7220481
·
1 Parent(s): e74ec9b

Update code/alphafold_featureVector.py

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Files changed (1) hide show
  1. code/alphafold_featureVector.py +4 -5
code/alphafold_featureVector.py CHANGED
@@ -83,10 +83,7 @@ def alphafold(input_set, mode, impute):
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  #out_path = path_to_output_files / 'log.txt'
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  #sys.stdout = open(out_path, 'w')
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  alphafold_path = hf_hub_download(repo_id="HuBioDataLab/AlphafoldStructures",repo_type = 'dataset', filename="AF-A0A075B7D0-F1-model_v4.pdb.gz")
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- st.write('aldjflsjflsjfld')
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- st.write(alphafold_path)
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- print('Creating directories...')
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- st.write(data)
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  #file_base = str(Path(alphafold_path / '*'))
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  #file_str = glob.glob(file_base)[0].split('-')[-1].split('.')[0]
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  #file_str =
@@ -340,8 +337,10 @@ def alphafold(input_set, mode, impute):
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  KeyError
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  info_per_model[mod][annot] = annotation_pos_on_pdb_
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- pdb_path = Path(f'{alphafold_path}/AF-{uniprotID}-F{mod}-{file_str}.pdb.gz')
 
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  if get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan', 'nan', 'nan', mode, Path(path_to_output_files / '3D_alignment'),
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  'gzip') != None:
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  alignments, coords, resnums_for_sasa = get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan',
 
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  #out_path = path_to_output_files / 'log.txt'
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  #sys.stdout = open(out_path, 'w')
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  alphafold_path = hf_hub_download(repo_id="HuBioDataLab/AlphafoldStructures",repo_type = 'dataset', filename="AF-A0A075B7D0-F1-model_v4.pdb.gz")
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+
 
 
 
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  #file_base = str(Path(alphafold_path / '*'))
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  #file_str = glob.glob(file_base)[0].split('-')[-1].split('.')[0]
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  #file_str =
 
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  KeyError
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  info_per_model[mod][annot] = annotation_pos_on_pdb_
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+ #pdb_path = Path(f'{alphafold_path}/AF-{uniprotID}-F{mod}-{file_str}.pdb.gz')
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+ pdb_path= hf_hub_download(repo_id="HuBioDataLab/AlphafoldStructures",repo_type = 'dataset', filename=f"AF-{uniprotID}-F{mod}-model_v4.pdb.gz")
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+ st.write(pdb_path)
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  if get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan', 'nan', 'nan', mode, Path(path_to_output_files / '3D_alignment'),
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  'gzip') != None:
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  alignments, coords, resnums_for_sasa = get_alignments_3D(uniprotID, mod, pdb_path, pdbSequence, 'nan',