Is it possible to calculate RoG from a MD trajectory file?

[Nelson]

I have carried out MD simulation of a protein-protein interaction. I want to plot the change in RoG over time. Is it possible?
I am thinking otherwise utilizing the variance in the center of mass of the PPI complex to measure the change. What would you suggest?

[Xinqiu Yao]

Hi,

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Currently, bio3d does not have a function to calculate RoG. We might add one in the future, but if you are willing to contribute we would appreciate it very much.