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line length
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ljwoods2 committed Nov 5, 2024
1 parent b0d3fc3 commit 1df5c28
Showing 1 changed file with 6 additions and 3 deletions.
9 changes: 6 additions & 3 deletions joss_paper/paper.md
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Expand Up @@ -202,11 +202,14 @@ results array:

```python
>>> import MDAnalysis.analysis.rms
>>> R = MDAnalysis.analysis.rms.RMSD(u, select="protein and name CA").run(step=100, verbose=True)
>>> R = MDAnalysis.analysis.rms.RMSD(u, select="protein and name CA").run(
step=100, verbose=True)
100%|██████████████████████████████████████████| 91/91 [00:28<00:00, 3.21it/s]
>>> print(f"Initial RMSD (frame={R.results.rmsd[0, 0]:g}): {R.results.rmsd[0, 2]:.3f} Å")
>>> print(f"Initial RMSD (frame={R.results.rmsd[0, 0]:g}): "
f"{R.results.rmsd[0, 2]:.3f} Å")
Initial RMSD (frame=0) : 0.000 Å
>>> print(f"Final RMSD (frame={R.results.rmsd[-1, 0]:g}): {R.results.rmsd[-1, 2]:.3f} Å")
>>> print(f"Final RMSD (frame={R.results.rmsd[-1, 0]:g}): "
f"{R.results.rmsd[-1, 2]:.3f} Å")
Final RMSD (frame=9000) : 2.373 Å
```

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