comparison rmsd_clustering.py @ 2:b9c46dbe9605 draft default tip

"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
comparison
equal deleted inserted replaced
1:b001ebc8bf58 2:b9c46dbe9605
46 plt.draw() 46 plt.draw()
47 plt.savefig(output, format='png') 47 plt.savefig(output, format='png')
48 48
49 49
50 def plot_dendrogram(Z, output): 50 def plot_dendrogram(Z, output):
51 plt.figure(figsize=(25, 10)) 51 # figure width scales with number of leaves
52 plt.figure(figsize=(0.25 * Z.shape[0], 10))
52 plt.title('Hierarchical Clustering Dendrogram') 53 plt.title('Hierarchical Clustering Dendrogram')
53 plt.xlabel('Trajectory index') 54 plt.xlabel('Trajectory index')
54 plt.ylabel('distance') 55 plt.ylabel('distance')
55 dendrogram( 56 dendrogram(
56 Z, 57 Z,