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Commit
·
5e445fa
1
Parent(s):
b12804e
Update code/pdb_featureVector.py
Browse files
code/pdb_featureVector.py
CHANGED
@@ -256,7 +256,13 @@ def pdb(input_set, mode, impute):
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modbase = isZeroDistance(modbase)
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modbase = match3DModels(modbase)
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modbase = selectMaxAnnot(modbase)
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modbase = modbase.sort_values(by=['datapoint', 'quality_score', 'distance','hitTotal', 'annotTotal'], ascending=[True, True, True, True, True])
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modbase = modbase.drop_duplicates(['datapoint'])
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modbase.replace({'[]': np.NaN, 'hit': 0.0}, inplace=True)
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st.write('modbase SIMP')
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modbase = isZeroDistance(modbase)
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modbase = match3DModels(modbase)
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modbase = selectMaxAnnot(modbase)
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modbase['quality_score'] = modbase['quality_score'].astype(float)
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modbase['distance'] = modbase['distance'].astype(float)
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modbase['hitTotal'] = modbase['hitTotal'].astype(float)
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modbase['annotTotal'] = modbase['annotTotal'].astype(float)
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modbase = modbase.sort_values(by=['datapoint', 'quality_score', 'distance','hitTotal', 'annotTotal'], ascending=[True, True, True, True, True])
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st.write('SORTED')
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st.write(modbase)
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modbase = modbase.drop_duplicates(['datapoint'])
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modbase.replace({'[]': np.NaN, 'hit': 0.0}, inplace=True)
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st.write('modbase SIMP')
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