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)#