- Jun 6 2014. Code is now available through GitHub.
Clustering is a VMD plugin to calculate and visualize clusters of conformations for a trajectory. Each conformation is color coded according to the cluster to which it belongs. This is done by creating one representation for each cluster, and setting the Draw Multiple frames variable to the corresponding frame numbers.
- Compute clusters using VMD's internal measure cluster command.
- Import results from R hierarchical clustering, Xcluster, Gromacs clustering utility g_cluster, Charmm clustering command and NMRCLUSTER.
- Color conformations by cluster.
- Selection of clusters and/or conformations to display.
- Multiple levels of clustering.
- Custom representations.
- Join single member clusters in a separate cluster.
The latest code is now accesible through its GitHub repository. Contact the author if you need an old version.
Documentation can be found in the GitHub repository.
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