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Tripos Bookshelf  >  QSAR  >  SAMPLS and Advanced CoMFA Tutorials  >  Hierarchical Analysis Tutorial

3.3.3 Creating the Dendrogram

1. Start the Hierarchical clustering.

   Select the H_BONDS CoMFA column in the my_ryanoids spreadsheet.

   MSS: QSAR >>> Hierarchical Clustering...

The Hierarchical Clustering Analysis Dialog is displayed.

   Set the dialog as follows:

• Set the Method option menu to Complete.

• Make sure that column Filtering is off (H-bond fields are so sparse that column filtering is unnecessary and undesirable).

• Set the Analysis name field to HB.

• Make sure that the Show Dendrogram check box is toggled on

• Set the corresponding menu is set to D2.

• Toggle on the Output Clusters to Spreadsheet. This will let you generate a cluster column interactively.

   Press Do Hier.

A dendrogram of the clustering appears in D1 for your examination.

   Press OK to save this analysis as HB.

The analysis is saved in the file HB.hier.