diff --git a/src/BioHelpers_FABER/rmsd.py b/src/BioHelpers_FABER/rmsd.py index ab2be876b750084b0cd744e8dab820c56c99e9f1..d0d6ed55f5a0d959275aa15b3a2b90e2928c928e 100644 --- a/src/BioHelpers_FABER/rmsd.py +++ b/src/BioHelpers_FABER/rmsd.py @@ -101,6 +101,7 @@ def rmsd_from_rot_tran( ) -> float: """Calculate an RMSD like value for a given set of vectors x and y with a given rotation matrix and translation vector Mathematical formula: + .. math:: \mathrm{RMSD} = \frac{1}{M} \sum_{k=1..M} |\mathfrak{U}\mathbf{x} + \mathbf{r} - \mathbf{y}|^2 **Important Note:** The translation vector differs from Kabsch algorithm, there you translate befor rotating. In Coutsias paper it is the otherway round.