From c9bfa00f498a0b83cbad03edb21f42c214c01123 Mon Sep 17 00:00:00 2001 From: Jon Wedell Date: Wed, 28 Jun 2017 15:00:14 -0400 Subject: [PATCH] Fix bug in get_coords get_coords() currently returns a list of coordinate tuples where the third position of each tuple is the entire list of z positions rather than the corresponding z position. For example: In [70]: pdb_2dog.get_coords()[0] Out[70]: (-16.847000000000001, 2.899, array([ 8.705, 7.462, 7.05 , ..., -7.325, -8.086, -7.866])) --- mmtf/api/mmtf_reader.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mmtf/api/mmtf_reader.py b/mmtf/api/mmtf_reader.py index abeb688..23013c3 100644 --- a/mmtf/api/mmtf_reader.py +++ b/mmtf/api/mmtf_reader.py @@ -15,7 +15,7 @@ def get_coords(self): """Utility function to get the coordinates as a single list of tuples.""" out_list = [] for i in range(len(self.x_coord_list)): - out_list.append((self.x_coord_list[i],self.y_coord_list[i],self.z_coord_list,)) + out_list.append((self.x_coord_list[i],self.y_coord_list[i],self.z_coord_list[i],)) return out_list def get_bonds(self):