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Fix offset in setting tau angle

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Kevin Wu
2022-09-07 16:51:45 -07:00
parent ea66a91c91
commit 35065ec005
1 changed files with 1 additions and 1 deletions
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protdiff/angles_and_coords.py
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@@ -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