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102c21c
1
Parent(s):
a714f40
Update code/modbaseModelAdd.py
Browse files- code/modbaseModelAdd.py +3 -0
code/modbaseModelAdd.py
CHANGED
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@@ -264,7 +264,10 @@ def addModbaseModels(dataframe, path_to_input_files, path_to_output_files):
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'AAonPDB': AAonPDB, 'coordVAR': coordVAR, 'sasa':sasa_val}
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modbase_reduced = modbase_reduced.append(new_row, ignore_index=True)
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modbase_reduced = modbase_reduced[['uniprotID', 'quality_score', 'model_id', 'coordinates', 'AAonPDB', 'coordVAR', 'sasa']]
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modbase = dataframe.merge(modbase_reduced, on='uniprotID', how='left')
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modbase.quality_score = modbase.quality_score.astype(float)
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modbase = modbase.sort_values(by=['datapoint', 'quality_score'], ascending=False)
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modbase.reset_index(inplace=True, drop=True)
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'AAonPDB': AAonPDB, 'coordVAR': coordVAR, 'sasa':sasa_val}
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modbase_reduced = modbase_reduced.append(new_row, ignore_index=True)
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modbase_reduced = modbase_reduced[['uniprotID', 'quality_score', 'model_id', 'coordinates', 'AAonPDB', 'coordVAR', 'sasa']]
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st.write('DF')
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st.write(dataframe.to_string())
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modbase = dataframe.merge(modbase_reduced, on='uniprotID', how='left')
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st.write(modbase.to_string())
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modbase.quality_score = modbase.quality_score.astype(float)
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modbase = modbase.sort_values(by=['datapoint', 'quality_score'], ascending=False)
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modbase.reset_index(inplace=True, drop=True)
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