diff --git a/dlpdb/coords2angles.py b/dlpdb/coords2angles.py index 7d46987..6ea43f5 100755 --- a/dlpdb/coords2angles.py +++ b/dlpdb/coords2angles.py @@ -61,8 +61,8 @@ def Coords2AnglesLengths(r0, r1, r2): cos_theta = 1.0 elif (cos_theta < -1.0): cos_theta = -1.0 - theta = acos(cos_theta) + return (theta, l10, l21) diff --git a/setup.py b/setup.py index 9e4d30d..1bea334 100644 --- a/setup.py +++ b/setup.py @@ -16,9 +16,9 @@ url='https://github.com/jewettaij/dlpdb', - download_url='https://github.com/jewettaij/dlpdb/archive/v0.5.0.zip', + download_url='https://github.com/jewettaij/dlpdb/archive/v0.5.1.zip', - version='0.5.0', + version='0.5.1', license='MIT',