bug fix in saving the representative frame.

tubiana · Sep 1, 2019 · 2a93734 · 2a93734
1 parent d1c571e
commit 2a93734
Show file tree

Hide file tree

Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/ttclust/ttclust.py b/ttclust/ttclust.py
@@ -720,7 +720,8 @@ def write_representative_frame(traj, cluster, logname):
     cluster_num = cluster.id
     frame = cluster.representative
     size = cluster.size
-    traj[frame].save_pdb("{}/C{}-f{}-s{}.pdb".format(logname,
+    #bugfix in 4.6.8
+    traj[frame-1].save_pdb("{}/C{}-f{}-s{}.pdb".format(logname,
                                                      cluster_num,
                                                      frame,
                                                      size))

diff --git a/ttclust/version.py b/ttclust/version.py
@@ -1 +1 @@
-__version__ = '4.6.7'
+__version__ = '4.6.8'