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)¶