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7220481
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Parent(s):
e74ec9b
Update code/alphafold_featureVector.py
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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(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 =
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@@ -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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#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',
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