fix rmsd function

setup.py

@@ -5,7 +5,7 @@ with open("README.md", "r") as f:
 
 setup(
     name="BioHelpers_FABER",
-    version="0.2.9",
+    version="0.2.10",
     description="Small collection of useful scripts for the computational work with RNA Data.",
     url="https://gitlab.jsc.fz-juelich.de/faber1/biohelpers",
     package_dir={"": "src"},

src/BioHelpers_FABER/rmsd.py

@@ -194,8 +194,16 @@ def rmsd_pdb(file1: str, file2: str, exclude_residues: Optional[list] = None) ->
                 p2.detach_child((" ", i, " "))
     # p1_AA = [list(a.get_vector()) for a in p1.get_atoms()]
     # p2_AA =  [list(a.get_vector()) for a in p2.get_atoms()]
-    p1_AA = [list(a.get_vector()) for a in p1.get_atoms() if a.id != "OP3"]
-    p2_AA = [list(a.get_vector()) for a in p2.get_atoms() if a.id != "OP3"]
+    p1_AA = [
+        list(a.get_vector())
+        for a in p1.get_atoms()
+        if a.id != "OP3" and a.element != "H"
+    ]
+    p2_AA = [
+        list(a.get_vector())
+        for a in p2.get_atoms()
+        if a.id != "OP3" and a.element != "H"
+    ]
     p1_AA = np.transpose(np.array(p1_AA))
     p2_AA = np.transpose(np.array(p2_AA))
     return rmsd(p1_AA, p2_AA)