schrodinger.trajectory.pbc_manager module

class schrodinger.trajectory.pbc_manager.PBCMeasureMananger(frame)

A class to measure distance, angle, dihedral and planar angle under periodic boundary conditions.

calcAngle(pos1, pos2, pos3)

calcDihedral(pos1, pos2, pos3, pos4)

calcDistance(pos1, pos2)

calcPlanarAngle(pos1, pos2, pos3, pos4, pos5, pos6, minangle=False)