On 29/05/2019 09:36, Xiaoming Ren wrote:
I wonder if there is a way to calculate the compactness of a macromolecule structure.
Maybe RosettaHoles2 is what you want? https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2998733/
Another question is, how can I calculate Matthews coefficient of a domain of a protein or one part of a complex?
If one were to do that (and I'm not entirely sure that it is meaningful to do so) then one do the same as one would do if one had a complete protein.
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