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5fff1b6
1
Parent(s):
b33353a
Update code/pdb_featureVector.py
Browse files
code/pdb_featureVector.py
CHANGED
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@@ -171,10 +171,7 @@ def pdb(input_set, mode, impute):
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data_size = len(data.drop_duplicates(['datapoint']))
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not_match_in_uniprot = data[(data.uniprotSequence == 'nan') | (data.wt_sequence_match == 'nan')]
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uniprot_matched = data[(data.uniprotSequence != 'nan') & (data.wt_sequence_match != 'nan')]
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st.write(not_match_in_uniprot)
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if (len(uniprot_matched) == 0) & (len(not_match_in_uniprot) == 0):
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st.write('Please check the input aminoacid at the selected position.')
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data = None
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@@ -493,9 +490,10 @@ def pdb(input_set, mode, impute):
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print('--PDB structures not found for %d datapoints.' % len(no_pdb.drop_duplicates(['datapoint'])))
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print('--%d will be searched in Swiss-Model database.\n' % (
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len(yes_pdb_no_match.drop_duplicates(['datapoint'])) + len(no_pdb.drop_duplicates(['datapoint']))))
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dfM = None
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dfNM = None
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aligned_nm = None
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data_size = len(data.drop_duplicates(['datapoint']))
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not_match_in_uniprot = data[(data.uniprotSequence == 'nan') | (data.wt_sequence_match == 'nan')]
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uniprot_matched = data[(data.uniprotSequence != 'nan') & (data.wt_sequence_match != 'nan')]
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+
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data = None
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print('--PDB structures not found for %d datapoints.' % len(no_pdb.drop_duplicates(['datapoint'])))
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print('--%d will be searched in Swiss-Model database.\n' % (
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len(yes_pdb_no_match.drop_duplicates(['datapoint'])) + len(no_pdb.drop_duplicates(['datapoint']))))
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+
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if (len(dfM) == 0) & (len(dfNM) == 0):
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st.write('Please check the input aminoacid at the selected position.')
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dfM = None
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dfNM = None
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aligned_nm = None
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