Mercurial > repos > chemteam > biomd_rmsd_clustering

diff rmsd_clustering.py @ 2:b9c46dbe9605 draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:38:57 +0000
parents ee1f38eb220e
children
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--- a/rmsd_clustering.py	Fri Sep 11 21:55:34 2020 +0000
+++ b/rmsd_clustering.py	Fri Nov 13 19:38:57 2020 +0000
@@ -48,7 +48,8 @@
 
 
 def plot_dendrogram(Z, output):
-    plt.figure(figsize=(25, 10))
+    # figure width scales with number of leaves
+    plt.figure(figsize=(0.25 * Z.shape[0], 10))
     plt.title('Hierarchical Clustering Dendrogram')
     plt.xlabel('Trajectory index')
     plt.ylabel('distance')