htmd.mutualinformation module

class htmd.mutualinformation.MutualInformation(model, mol=None, fstep=0.1, skip=1)

Bases: object

calculate(njobs=1)
Parameters

njobs (int) – Number of parallel jobs to spawn for the calculation of MI

loadMI(path)
saveMI(path)
save_graphml(path)
weightGraph(datacontacts, mi_threshold, time_treshold=0.6)