Reclustering

Quick script which implements the Daura clustering algorithm with a given set of cluster centroid structures. It needs the rmsds to be precalculated for it from g_rms and numbers according to which centroid they belong to.
Chain Seperation

This generates histograms based on the minimum seperation and average minimum seperation of two chains and groups them based on this. It also shows which regions are prodviding this interaction (based on closest point of contact rather than total contacts).
Multiple chains.

Modifications to allow for multiple chains to be considered.
Free energy of Binding

Takes PMF profiles and calculates free energies by averaging the bulk region anf subtracting the lowest point on the histogram.
Cluster RMSD

Modified to add in selectable groups over which rmsd is calculated, more robust regex and the option to add in an index file for use n defining groups.