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Bug fix

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Jérôme Tubiana
2022-01-04 17:38:48 +02:00
parent 57414fb986
commit e22d02ff54
2 changed files with 11 additions and 3 deletions
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9
predict_bindingsites.py
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@@ -661,9 +661,16 @@ def predict_interface_residues(
chimera.annotate_pdb_file(pdb_file_locations[i], csv_file, annotated_pdb_file, output_script=True, mini=mini, maxi=maxi)
if output_format == 'dictionary':
query_dictionary_predictions = [PDB_processing.make_values_dictionary(query_residue_id,query_prediction) for query_residue_id,query_prediction in zip(query_residue_ids,query_predictions)]
if ((isinstance(layer, list)) | (isinstance(layer, tuple)) | (not aggregate_models)):
query_dictionary_predictions = [PDB_processing.make_values_dictionary(query_residue_ids[k], [query_predictions[l][k] for l in range(len(query_predictions))])
for k in range(len(query_residue_ids))]
else:
query_dictionary_predictions = [PDB_processing.make_values_dictionary(query_residue_id,query_prediction) for query_residue_id,query_prediction in zip(query_residue_ids,query_predictions)]
return query_pdbs,query_names,query_dictionary_predictions
else:
if ((isinstance(layer, list)) | (isinstance(layer, tuple)) | (not aggregate_models)):
query_predictions = [
[query_predictions[i][j] for i in range(len(query_predictions))] for j in range(len(query_predictions[0]))]
return query_pdbs,query_names,query_predictions, query_residue_ids, query_sequences