Mercurial > repos > chemteam > biomd_rmsd_clustering
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 |
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| 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, |