more flexible XYZ reader

Acellera · Dec 14, 2023 · 541da97 · 541da97
1 parent 3ceda3d
commit 541da97
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/moleculekit/readers.py b/moleculekit/readers.py
@@ -630,9 +630,9 @@ def XYZread(filename, frame=None, topoloc=None):
     import gzip
     import re
 
-    natom_line = re.compile(r"^([0-9]+)$")
+    natom_line = re.compile(r"^([0-9]+)\s*$")
     coord_line = re.compile(
-        r"^\w+\s+([-+]?[0-9]*\.?[0-9]+)\s+([-+]?[0-9]*\.?[0-9]+)\s+([-+]?[0-9]*\.?[0-9]+)$"
+        r"^\w+\s+([-+]?[0-9]*\.?[0-9]+)\s+([-+]?[0-9]*\.?[0-9]+)\s+([-+]?[0-9]*\.?[0-9]+)\s*$"
     )
     topo = Topology()