Fingerprint fails on single frame trajectory

[nezix]

Loading a protein-ligand complex from a single PDB with MDAnalysis creates a trajectory with 1 frame.
Sending that to the run function fails because it expects a FrameIteratorSliced but it is FrameIteratorAll:

u = mda.Universe("mycomplex.pdb")
lig = u.select_atoms("resname LIG")
prot = u.select_atoms("protein")
fp = prolif.Fingerprint()
fp.run(u.trajectory[0], lig, prot) # → Timestep object has no attribute 'start'
fp.run(u.trajectory[:], lig, prot) # → 'FrameIteratorAll' object has no attribute 'start'
fp.run(u.trajectory[:1], lig, prot) # → 'FrameIteratorAll' object has no attribute 'start'

Is that the expected behaviour ? Should I just use fp.generate() instead ?

[cbouy]

Hi,

Please refer to the documentation for this, there's a tutorial section on using PDB input files there.

Feel free to reopen this issue if you have other related questions