Rg Center of Mass Distance Calculator has the capability to handle both single structure and trajectory files as input. At this time, the resultant Rg values for the two components and the distance between their centers of mass are output to a file. The user has to go through the results manually to see which structures in the trajectory file have parameters that most closely match those obtained from the data (using Stuhrmann Parallel Axis). This is not a problem for a small number of trajectories. But for files containing hundreds or thousands of trajectories, the option to create a weight file that identifies the trajectories of interest is needed. The user would then use Extract Utilities to write a new "best fit" trajectory file.

Implement a weight file option similar to that in Chi square filter. Note that basis_to_python has a method to "clean up" the weight basis from Chi square filter. A similar method needs to be written for Rg Center of Mass Distance Calculator.