From ecbb3c82837c88d4e270bf00ea6eeeaca257a28e Mon Sep 17 00:00:00 2001 From: Andrew Jewett Date: Mon, 18 May 2020 10:42:09 -0700 Subject: [PATCH] changed the default branch-of-log for "coords2dihedrals.py" (from 0 degrees to 360 degrees). This means that now, by default the dihedral angles returned by this script are in the range from [-180,180). --- dlpdb/coords2dihedrals.py | 2 +- setup.py | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/dlpdb/coords2dihedrals.py b/dlpdb/coords2dihedrals.py index 28ed4b3..020682a 100755 --- 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 index 81004b8..7bb9946 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/v0.3.0.zip', + download_url='https://github.com/jewettaij/dlpdb/archive/v0.3.1.zip', - version='0.3.0', + version='0.3.1', license='MIT',