MDLovoFit is a package for the analysis of the mobility and structural fluctuation in Molecular Dynamics simulations. It allows the automatic identification of rigid and mobile regions of protein structures.
See also the Julia interface for the package: http://github.com/m3g/MDLovoFit.jl
Further information at: http://m3g.iqm.unicamp.br/mdlovofit
Citation:
L. Martínez, Automatic identification of mobile and rigid substructures in molecular dynamics simulations and fractional structural fluctuation analysis. PLoS One 10(3): e0119264, 2015. [LINK]