AlloViz.Wrappers.Base.Base._calculate

Base._calculate(xtc, *args)

Send the calculation for a single trajectory file

Send the calculation with the specific class’ _computation private method and capture the standard output and standard error of the calculation into a log file. The callback function to which the reuslts of the computation are passed is _save_pq() to save the returned calculated results. *args parameter is not used.

Parameters:

xtcint

Trajectory number from the processed trajectory dictionary of the Protein object.