Hierarchical clustering for multiple-crystal macromolecular crystallography experiments: the ccCluster program

Gianluca Santoni (1) , Ulrich Zander (1, 2) , Christoph Mueller-Dieckmann (1) , Gordon Leonard (1) , Alexander Popov (1)

1 ESRF - European Synchrotron Radiation Facility
2 EMBL - European Molecular Biology Laboratory [Grenoble]

This article describes ccCluster, a software providing an intuitive graphical user interface (GUI) and multiple functions to perform hierarchical cluster analysis on multiple crystallographic datasets. The program makes it easier for users to choose, in the case of multi-crystal data collection, those datasets that will be merged together to give good final statistics. It provides a simple GUI to analyse the dendrogram and various options for automated clustering and data merging

Mots clés: cluster analysis; multicrystal data collection; phasing; serial crystallography

Domaines: Sciences du Vivant [q-bio]

Gianluca Santoni, Ulrich Zander, Christoph Mueller-Dieckmann, Gordon Leonard, Alexander Popov. Hierarchical clustering for multiple-crystal macromolecular crystallography experiments: the ccCluster program. Journal of Applied Crystallography, 2017, 50, pp.1844-1851. ⟨10.1107/S1600576717015229⟩. ⟨hal-01721587⟩