annabossler commited on
Commit
b73791f
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1 Parent(s): c1ccfa7

Update app.py

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Files changed (1) hide show
  1. app.py +8 -10
app.py CHANGED
@@ -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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- # Save last frame as PDB for Molecule3D
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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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- # Verify PDB was created
 
 
 
 
 
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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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-
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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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-
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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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+
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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")