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Revert "changed to just updating the 360. value."
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This reverts commit 7a8aed4.
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lgsmith committed Jul 18, 2024
1 parent 7a8aed4 commit cd7fc4a
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion enspara/geometry/rotamer.py
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ def dihedral_angles(traj, dihedral_type):
# transform so angles range from 0 to 360 instead of radians or -180 to 180
angles = np.rad2deg(angles)
angles[np.where(angles < 0)] += 360
angles[np.where(angles == 360)] = 0
angles[np.where(angles > 359.5)] = 359.5

n_angles = angles.shape[1]
ref_atom_inds = np.zeros(n_angles)
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