Oliver Beckstein
Oliver Beckstein
@marinegor can you please resolve the conflicts? Thanks.
I'd open a separate issue for the PDB discussion – it will only delay this one. If it can be treated separately then do it separately. (Orthogonality is great!) I...
Please keep x86_64 macOS!
As long as we still have macOS x86_64 support via conda-forge packages I would be ok with dropping wheels.
I suppose the people using pip/uv would like to keep wheels but maybe they all have shiny new(ish) macs ;-). My general view is to support older technology as long...
If you run ```python import MDAnalysis as mda import os u = mda.Universe(DCD) print("size:", os.stat(DCD).st_size, "B") print("length:", u.trajectory.n_frames) for ts in u.trajectory: print(ts.frame, end=" ") print("\nComplete") ``` with MDA 2.8.0...
@qlearn-code thanks for checking. This output indicates that your DCD is read fully (with MDA 2.8.0), so at least the basic DCD reading code does not seem to be at...
How are you executing the RDF analysis? Can you show the minimal code example (from setting up the `Universe`) that displays the failure, together with the exception traceback?
Can you enable the Python debugger (`%pdb` in ipython/jupyter) and then find out at which frame `i` the error occurs?
Yes, ``` p i ``` or possibly ``` u p i ``` You might have to learn how to use the debugger https://docs.python.org/3/library/pdb.html to be able to navigate the call...