How to use gmx_clusterByFeatures?

It contains several sub-commands for different purposes.

Other tools are presently in development.

List of sub-commands available in gmx_clusterByFeatures

Command

Function

cluster

Main module to perform clustering

featuresplot

Feature vs Feature plot to check quality of clustering

distmat

Distance-matrix related calculations

matplot

To visulaize/plot matrix obtained from distmat

hole

To calculate cavity/channel radius using HOLE program

holeplot

To calculate average and plot hole output radius file

holefeatures

To write radius as a features for clustering

holeclustersplot

To plot or write radius for clusters separately

sub-commands