From 3a98db3cfc8dad8533eb4337294e7d10e7e6825a Mon Sep 17 00:00:00 2001
From: "c.faber" <c.faber@fz-juelich.de>
Date: Tue, 22 Oct 2024 14:00:59 +0200
Subject: [PATCH] sign error
---
src/BioHelpers_FABER.egg-info/PKG-INFO | 2 +-
src/BioHelpers_FABER/rmsd.py | 2 +-
2 files changed, 2 insertions(+), 2 deletions(-)
diff --git a/src/BioHelpers_FABER.egg-info/PKG-INFO b/src/BioHelpers_FABER.egg-info/PKG-INFO
index 2e6d888..3e41208 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 84ed055..94face1 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)
--
GitLab