changed the default branch-of-log for "coords2dihedrals.py" (from 0 d…

…egrees to 360 degrees). This means that now, by default the dihedral angles returned by this script are in the range from [-180,180).
jewettaij · May 18, 2020 · ecbb3c8 · ecbb3c8
1 parent da79701
commit ecbb3c8
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/dlpdb/coords2dihedrals.py b/dlpdb/coords2dihedrals.py
@@ -74,7 +74,7 @@ def cross_prod_v3(a,b):
 
 def main():
 
-    branch_of_log = 2.0*pi  # by default, dihedral angles lie in range: [0, 360.0)
+    branch_of_log = pi  # by default, dihedral angles lie in range: [-180,180.0)
     truncate_a    = 0
     truncate_b    = 0
 

diff --git a/setup.py b/setup.py
@@ -16,9 +16,9 @@
 
   url='https://github.com/jewettaij/dlpdb',
 
-  download_url='https://github.com/jewettaij/dlpdb/archive/v0.3.0.zip',
+  download_url='https://github.com/jewettaij/dlpdb/archive/v0.3.1.zip',
 
-  version='0.3.0',
+  version='0.3.1',
 
   license='MIT',