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)