We demonstrate a full workflow of polymer preparation and simulation on 3 water-soluble polymers of biological relevance, previously parameterized and simulated by Rukmani et. Starting structures were identical to those simulated in the validation study 34 and were obtained from the authors, with sizes detailed in Table . Code for polymer parameterization tools can be found on GitHub at . Radius of Gyration (R g ) and Relative Shape Anisotropy (κ 2 ) R g can be interpreted physically as the radius of a sphere which has the same moment of inertia as a polymer chain based on the average of its mass distribution. While this gives an idea of how atoms are distributed overall, it gives no indication of their precise morphology (i.e. a coiled, globular polymer and a roughly straight chain of different lengths can yield the same R g ). This missing information is supplied by κ 2 which has a range of unity, with 0 corresponding to a perfectly spherical chain and 1 corresponding to a perfectly linear one. Both quantities can be determined from the molecular gyration tensor S (eq. 1), which can be computed from the second spatial moments of the atomic coordinates diagonalized 20 into the 3 principal-moment eigenbasis: