RMSD and Rotational Constants Modules #230
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Closes Issues
Closes #220 #219
Description
kabsch_rmsd()) and the rotational spectrum (rotor type, moments of inertia and rotational constants) of a molecule (rotational_constants()).Release Notes
(Project adheres to Keep a Changelog; Every entry should start in upper-case and end with
(#<pr-id>); Remove sections that don't apply)Added
rmsd.pymodule includingkabsch_rmsd()rotconst.pymodule includingrotational_constants()