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5b8179d
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Parent(s):
ee71d02
Update code/modbaseModelAdd.py
Browse files- code/modbaseModelAdd.py +0 -1
code/modbaseModelAdd.py
CHANGED
@@ -217,7 +217,6 @@ def addModbaseModels(dataframe, path_to_input_files, path_to_output_files):
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include_hetatms=True,
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outdir=None, force_rerun=False, file_type='pdb')
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filename = Path(path_to_output_files / 'freesasa_files' / f'{model_id.lower()}.txt')
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st.write('path_to_output_files', path_to_output_files)
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sasa_val = sasa(protein, varPos, wt, 1, filename, path_to_output_files, file_type='pdb')
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with open(path_to_output_files / 'modbase_structures_individual'/ f'{model_id}.txt', encoding="utf8") as m:
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include_hetatms=True,
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outdir=None, force_rerun=False, file_type='pdb')
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filename = Path(path_to_output_files / 'freesasa_files' / f'{model_id.lower()}.txt')
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sasa_val = sasa(protein, varPos, wt, 1, filename, path_to_output_files, file_type='pdb')
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with open(path_to_output_files / 'modbase_structures_individual'/ f'{model_id}.txt', encoding="utf8") as m:
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