Creating a universe from list of PDB files / np.hstack of trajectories

[marinegor]

Hi everyone, I have a weird use-case: around 10_000 of pdb files, named frame_1, frame_2, ..., frame_10000, each contains the same structure corresponding to a certain frame. I want to view them as a trajectory, but can't figure out out to that within MDAnalysis, without manually stacking PDB files into a one huge PDB.

I also looked at this documentation section, but couldn't find anything useful there -- it seems that it's about merging along xyz coordingates and not time coordinate.

[marinegor]

Turns out I can answer it myself after reading documentation of the Universe itself!

import MDAnalysis as mda

frames: list[str] = ...  # here we construct the list of frames in the right order
u = mda.Universe(frames[0], frames, format='PDB') 

assert len(u._trajectory) == len(frames)