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Update app.py
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app.py
CHANGED
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@@ -23,20 +23,18 @@ def prepare_molecule_for_viewer(traj_path):
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# Debug info
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print(f"Preparing viewer: {len(traj)} frames, {len(traj[-1])} atoms")
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#
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temp_pdb = tempfile.NamedTemporaryFile(suffix='.pdb', delete=False)
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write(temp_pdb.name, traj[-1], format='pdb')
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#
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if os.path.exists(temp_pdb.name):
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file_size = os.path.getsize(temp_pdb.name)
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print(f"PDB created: {temp_pdb.name}, size: {file_size} bytes")
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# Read first few lines to verify content
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with open(temp_pdb.name, 'r') as f:
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first_lines = f.read(200)
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print(f"PDB content preview: {first_lines[:100]}...")
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return temp_pdb.name
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else:
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print("PDB file was not created")
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# Debug info
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print(f"Preparing viewer: {len(traj)} frames, {len(traj[-1])} atoms")
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# Crear PDB temporal persistente (no se elimina autom谩ticamente)
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temp_pdb = tempfile.NamedTemporaryFile(suffix='.pdb', delete=False, mode='w')
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# Escribir contenido PDB
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atoms = traj[-1]
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write(temp_pdb.name, atoms, format='pdb')
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temp_pdb.close() # Cerrar el archivo para que se pueda leer
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# Verificar que el archivo se cre贸
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if os.path.exists(temp_pdb.name):
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file_size = os.path.getsize(temp_pdb.name)
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print(f"PDB created: {temp_pdb.name}, size: {file_size} bytes")
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return temp_pdb.name
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else:
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print("PDB file was not created")
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