Multi-FindCore Toolbox

Extends FindCore Toolbox to cluster a set of structural models and superimpose each cluster

This toolbox extends the FindCore toolbox by first clustering the input set of structural models (create_multiensemble) and then superimposing each cluster separately. This allows for appropriate assessment of the uncertainty or flexibility in protein structure when more than one inherent conformation is present. A routine for Boltzmann sampling is also included. This toolbox is of potential utility in analyzing simulated annealing results and trajectories obtained from other enhanced sampling approaches.