From 70ca1656d14733b61bbc5a99b5f356cc0112ca43 Mon Sep 17 00:00:00 2001 From: martinvoegele Date: Sat, 18 Nov 2023 20:40:11 -0500 Subject: [PATCH] remove unnecessary print statement --- pensa/features/mda_torsions.py | 1 - 1 file changed, 1 deletion(-) diff --git a/pensa/features/mda_torsions.py b/pensa/features/mda_torsions.py index f586bdb..3e8368c 100644 --- a/pensa/features/mda_torsions.py +++ b/pensa/features/mda_torsions.py @@ -44,7 +44,6 @@ def read_torsions(pdb, xtc, sel=[[0, 1, 2, 3], [1, 2, 3, 4]], first_frame=0, las torsion_atoms = [u.atoms[selection] for selection in sel] dihedrals = Dihedral(torsion_atoms).run() dihedral_angles = dihedrals.angles - print('DIHEDRAL ANGLES', dihedral_angles.shape) # Generate the labels torsion_labels = []