diff --git a/src/BioHelpers_FABER.egg-info/PKG-INFO b/src/BioHelpers_FABER.egg-info/PKG-INFO index 2e6d88804aa2e5fec4395b41d8006ca76663c396..3e4120816f8a8ede1a035acccd91a34b7677f4a5 100644 --- a/src/BioHelpers_FABER.egg-info/PKG-INFO +++ b/src/BioHelpers_FABER.egg-info/PKG-INFO @@ -1,6 +1,6 @@ Metadata-Version: 2.1 Name: BioHelpers-FABER -Version: 0.2.9 +Version: 0.2.10 Summary: Small collection of useful scripts for the computational work with RNA Data. Home-page: https://gitlab.jsc.fz-juelich.de/faber1/biohelpers Author: Christian Faber diff --git a/src/BioHelpers_FABER/rmsd.py b/src/BioHelpers_FABER/rmsd.py index 84ed0550b851daa873902abeaaf1e632af1865d6..94face18512fca77c970c6a5078f6c705d882201 100644 --- a/src/BioHelpers_FABER/rmsd.py +++ b/src/BioHelpers_FABER/rmsd.py @@ -118,7 +118,7 @@ def rmsd_from_rot_tran( :rtype: float """ num_vec = x.shape[1] - intermediate = np.matmul(rot, x) + trans[:, np.newaxis] + y + intermediate = np.matmul(rot, x) + trans[:, np.newaxis] - y squared = np.trace(np.matmul(np.transpose(intermediate), intermediate)) / num_vec return np.sqrt(squared)