IRMSD is a Python library for computing the optimal root-mean-square-deviation between pairs of structures (e.g., protein conformations). It is based on the Theobald QCP method, and because of an ...

This package has been written for python 3.5+. in the command line on a Python-configured computer. If you do not yet have Python on your computer, there are many excellent tutorials on accomplishing ...

cCarolina Population Center, Department of Nutrition, Gillings School of Global Public Health, University of North Carolina, Chapel Hill, NC, USA ...