Get maximum distances

MolSysMT includes a very versatile function to calculate distances between atoms of molecular systems, and/or centers of groups of atoms, and/or points in the coordinates space. The molsysmt.structure.get_distances() has many possibilities, that’s why one of the longest sections in MolSysMT documentation. But let’s go step by step.

import molsysmt as msm
from molsysmt import pyunitwizard as puw
import numpy as np
import matplotlib.pyplot as plt