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35bdb15
1
Parent(s):
4256fa9
Update code/pdb_featureVector.py
Browse files
code/pdb_featureVector.py
CHANGED
@@ -281,7 +281,7 @@ def pdb(input_set, mode, impute):
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pdb_info.at[index, 'resolution'] = 'nan'
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index += 1
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cnt += 1
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-
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print('PDB file processing finished..')
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for filename in list(Path(path_to_output_files / 'pdb_structures').glob("*")):
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try:
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@@ -313,7 +313,7 @@ def pdb(input_set, mode, impute):
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uniprot_matched.resolution == 'None'))]
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no_pdb = no_pdb[~no_pdb.datapoint.isin(with_pdb.datapoint.to_list())]
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no_pdb.drop(columns=['chain', 'pdbID', 'pdbSequence', 'resolution'], inplace=True)
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-
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print(
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'PDB Information successfully added...\nPDB structures are found for %d of %d.\n%d of %d failed to match with PDB structure.\n'
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% (len(with_pdb.drop_duplicates(['datapoint'])), len(uniprot_matched.drop_duplicates(['datapoint'])),
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pdb_info.at[index, 'resolution'] = 'nan'
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index += 1
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cnt += 1
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+
st.write(pdb_info)
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print('PDB file processing finished..')
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for filename in list(Path(path_to_output_files / 'pdb_structures').glob("*")):
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try:
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uniprot_matched.resolution == 'None'))]
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no_pdb = no_pdb[~no_pdb.datapoint.isin(with_pdb.datapoint.to_list())]
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no_pdb.drop(columns=['chain', 'pdbID', 'pdbSequence', 'resolution'], inplace=True)
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+
st.write(with_pdb)
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print(
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'PDB Information successfully added...\nPDB structures are found for %d of %d.\n%d of %d failed to match with PDB structure.\n'
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% (len(with_pdb.drop_duplicates(['datapoint'])), len(uniprot_matched.drop_duplicates(['datapoint'])),
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