From cc2f9a51f9bd1cfa5795c16d795f404b33ce86a0 Mon Sep 17 00:00:00 2001 From: Joseph O'Brien Date: Thu, 27 Jul 2017 17:55:02 -0400 Subject: [PATCH] A function was added to view normal mode displacement vectors from QM packages. --- nbmolviz/viewers/viewer3d.py | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/nbmolviz/viewers/viewer3d.py b/nbmolviz/viewers/viewer3d.py index 2ab587e..e1b8bc3 100644 --- a/nbmolviz/viewers/viewer3d.py +++ b/nbmolviz/viewers/viewer3d.py @@ -282,6 +282,10 @@ def draw_forces(self, **kwargs): def draw_momenta(self, **kwargs): return self.draw_atom_vectors(self.mol.momenta, **kwargs) + def draw_normalmodes(self, normode_num, **kwargs): + normodes = self.mol.properties['normalmodes_displacements'][normode_num] + return self.draw_atom_vectors(normodes , **kwargs) + def highlight_atoms(self, atoms=None): """