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ThorbenFroehlking
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Commit
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e5b8e7f
1
Parent(s):
ff689ae
Update
Browse files- .ipynb_checkpoints/app-checkpoint.py +1 -1
- app.py +1 -1
.ipynb_checkpoints/app-checkpoint.py
CHANGED
@@ -102,7 +102,7 @@ def process_pdb(pdb_id, segment):
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with open(prediction_file, "w") as f:
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f.write(result_str)
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-
return result_str, molecule(pdb_path,
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def molecule(input_pdb, scores=None, segment='A'):
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mol = read_mol(input_pdb) # Read PDB file content
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with open(prediction_file, "w") as f:
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f.write(result_str)
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+
return result_str, molecule(pdb_path, normalized_scores, segment), prediction_file
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def molecule(input_pdb, scores=None, segment='A'):
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mol = read_mol(input_pdb) # Read PDB file content
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app.py
CHANGED
@@ -102,7 +102,7 @@ def process_pdb(pdb_id, segment):
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with open(prediction_file, "w") as f:
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f.write(result_str)
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-
return result_str, molecule(pdb_path,
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def molecule(input_pdb, scores=None, segment='A'):
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mol = read_mol(input_pdb) # Read PDB file content
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with open(prediction_file, "w") as f:
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f.write(result_str)
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+
return result_str, molecule(pdb_path, normalized_scores, segment), prediction_file
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def molecule(input_pdb, scores=None, segment='A'):
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mol = read_mol(input_pdb) # Read PDB file content
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