How to use gmx_clusterByFeatures?¶
It contains several sub-commands for different purposes.
Other tools are presently in development.
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 |