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fatmacankara
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Commit
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ab1d2d6
1
Parent(s):
4b25e7e
Update code/pdb_featureVector.py
Browse files- code/pdb_featureVector.py +2 -11
code/pdb_featureVector.py
CHANGED
@@ -1392,24 +1392,15 @@ def pdb(input_set, mode, impute):
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elif data.at[i, 'source'] == 'SWISSMODEL':
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pdb_path = Path(path_to_output_files / 'swissmodel_structures' / f'{up_id_}_{id_}_{score_}.txt')
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print('I am here. Whats wrong?')
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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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print(pdbSequence)
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print(uniprotID)
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print(pdb_path)
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print(source)
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print(chain)
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print(pdbID)
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print(mode)
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alignments = get_alignments_3D(uniprotID, 'nan', pdb_path, pdbSequence, source, chain, pdbID, mode, Path(path_to_output_files / '3D_alignment'), file_format = 'gzip')
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print(alignments)
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mutPos = data.at[i, 'mutationPositionOnPDB']
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try:
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coordMut = get_coords(mutPos, alignments, 'nan', 'nan', mode)[0]
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elif data.at[i, 'source'] == 'SWISSMODEL':
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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, Path(path_to_output_files / '3D_alignment'), file_format = 'gzip')
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+
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mutPos = data.at[i, 'mutationPositionOnPDB']
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try:
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coordMut = get_coords(mutPos, alignments, 'nan', 'nan', mode)[0]
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