diff --git a/joss_paper/paper.md b/joss_paper/paper.md index 3b7fe85..e442bbe 100644 --- a/joss_paper/paper.md +++ b/joss_paper/paper.md @@ -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 ```