From 35065ec0050bd26d894d988c4130c4a5a5df3285 Mon Sep 17 00:00:00 2001 From: Kevin Wu Date: Wed, 7 Sep 2022 16:51:45 -0700 Subject: [PATCH] Fix offset in setting tau angle --- protdiff/angles_and_coords.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/protdiff/angles_and_coords.py b/protdiff/angles_and_coords.py index 292eb8c..2fd3504 100644 --- a/protdiff/angles_and_coords.py +++ b/protdiff/angles_and_coords.py @@ -186,7 +186,7 @@ def canonical_distances_and_dihedrals( if a == "tau" or a == "N:CA:C": # tau = N - CA - C internal angles idx = np.array( - [list(range(i, i + 3)) for i in range(0, len(backbone_atoms), 3)] + [list(range(i, i + 3)) for i in range(3, len(backbone_atoms), 3)] + [(0, 0, 0)] ) elif a == "CA:C:1N": # Same as C-N angle in nerf # This measures an angle between two residues. Due to the way we build