Expected behavior
NapAUniverse(top.tpr) loads without failing
Actual behavior
It fails due to the assertion here
|
assert len(protein.residues) - 1 == protein.residues[-1].resnum |
Code to reproduce the behavior
Locally, on a fresh development environment:
testing the file manually gives
Using Ian's environment (conda activate ~ikenney/miniconda3/envs/napalib/) on the workstation gives the expected behavior the code's assertion wants:
I am able to read the same exact TPR file on the workstation using Ian's conda environment, so I'm guessing the issue is that the MDAnalysis used in the conda environment is out of date, and something changed in a more recent version.
Current version of MDAnalysis
- Which version are you using? '2.0.0-dev0'
- Which version of Python (
python -V)? Python 3.9.0
- Which operating system? windows 10
Expected behavior
NapAUniverse(top.tpr)loads without failingActual behavior
It fails due to the assertion here
napalib/napalib/system/universe.py
Line 123 in 0b0e960
Code to reproduce the behavior
Locally, on a fresh development environment:
testing the file manually gives
Using Ian's environment (
conda activate ~ikenney/miniconda3/envs/napalib/) on the workstation gives the expected behavior the code's assertion wants:I am able to read the same exact TPR file on the workstation using Ian's conda environment, so I'm guessing the issue is that the MDAnalysis used in the conda environment is out of date, and something changed in a more recent version.
Current version of MDAnalysis
python -V)? Python 3.9.0