I am trying protlego, and I keep getting this error
qPDB, sPDB = a.superimpose_structures(aln,partial_alignment=True)
2025-05-01 15:15:52,126 - protlego - INFO - Performing alignment 1 with TMalign
2025-05-01 15:15:52,234 - moleculekit.molecule - WARNING - Wrapping detected 0 bonds and 24 atoms. Ignore this message if you believe this is correct, otherwise make sure you have loaded a topology containing all the bonds of the system before wrapping. The results may be inaccurate. If you want to use guessed bonds use the guessBonds argument.
Traceback (most recent call last):
File "", line 1, in
File "/home/vboxuser/miniconda3/envs/protlego/lib/python3.9/site-packages/protlego/builder/builder.py", line 246, in superimpose_structures
saPDB, distance = self._superimpose_chunk(qpair_chunk, spairs[index], qmol, smol)
File "/home/vboxuser/miniconda3/envs/protlego/lib/python3.9/site-packages/protlego/builder/builder.py", line 297, in _superimpose_chunk
data = rmsd.project(copys)
File "/home/vboxuser/miniconda3/envs/protlego/lib/python3.9/site-packages/moleculekit/projections/metricrmsd.py", line 111, in project
mol.wrap(getMolProp("centersel"))
File "/home/vboxuser/miniconda3/envs/protlego/lib/python3.9/site-packages/moleculekit/molecule.py", line 1928, in wrap
if self.box is None or np.all(self.box == 0):
RuntimeError: Zero box size detected in Molecule.box. Cannot wrap simulation.
I am trying protlego, and I keep getting this error