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298b080
1
Parent(s):
5bbb3a4
Update code/pdb_featureVector.py
Browse files
code/pdb_featureVector.py
CHANGED
@@ -1407,10 +1407,13 @@ def pdb(input_set, mode, impute):
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pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
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pdbSequence = data.at[i, 'pdbSequence']
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source = data.at[i, 'source']
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chain = data.at[i, 'chain']
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uniprotID = data.at[i, 'uniprotID']
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pdbID = data.at[i, 'pdbID']
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alignments = get_alignments_3D(uniprotID, 'nan', pdb_path, pdbSequence, source, chain, pdbID, mode,
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Path(path_to_output_files / '3D_alignment'), file_format='gzip')
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mutPos = data.at[i, 'mutationPositionOnPDB']
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pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
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pdbSequence = data.at[i, 'pdbSequence']
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st.write('pdbSequence on 3D part')
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st.write(pdbSequence)
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source = data.at[i, 'source']
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chain = data.at[i, 'chain']
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uniprotID = data.at[i, 'uniprotID']
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pdbID = data.at[i, 'pdbID']
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st.write('So far so good!!!!!')
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alignments = get_alignments_3D(uniprotID, 'nan', pdb_path, pdbSequence, source, chain, pdbID, mode,
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Path(path_to_output_files / '3D_alignment'), file_format='gzip')
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mutPos = data.at[i, 'mutationPositionOnPDB']
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