diff --git a/ttclust/ttclust.py b/ttclust/ttclust.py index 3cf3ed0..1f78286 100644 --- 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 index 8d22ea9..57a2b5a 100644 --- a/ttclust/version.py +++ b/ttclust/version.py @@ -1 +1 @@ -__version__ = '4.6.7' +__version__ = '4.6.8'