From ff803d7ea5b90cf28da058839ef013286a2aa519 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Wed, 28 Apr 2021 18:09:19 +0100 Subject: [PATCH] pdbens addcoordset fix --- prody/ensemble/pdbensemble.py | 1 + 1 file changed, 1 insertion(+) diff --git a/prody/ensemble/pdbensemble.py b/prody/ensemble/pdbensemble.py index 34ce1d22e..1ee7c67ca 100644 --- a/prody/ensemble/pdbensemble.py +++ b/prody/ensemble/pdbensemble.py @@ -289,6 +289,7 @@ def addCoordset(self, coords, weights=None, label=None, **kwargs): if not n_atoms: self._n_atoms = n_nodes + n_atoms = self._n_atoms if n_nodes == n_select and self.isSelected(): full_coords = np.repeat(self._coords[np.newaxis, :, :], n_csets, axis=0)