diff --git a/AtomPacker/core/io/mol2/file.py b/AtomPacker/core/io/mol2/file.py index 8f76e2c..d4185ce 100644 --- a/AtomPacker/core/io/mol2/file.py +++ b/AtomPacker/core/io/mol2/file.py @@ -8,14 +8,16 @@ __all__ = ["load_mol2"] - +import warnings from string import digits -import numpy from MDAnalysis import Universe from ..vdw import _lookup_radii +# Suppress MDAnalysis warnings +warnings.filterwarnings("ignore", category=UserWarning) + def load_mol2(filename: str) -> Universe: """ @@ -46,9 +48,7 @@ def load_mol2(filename: str) -> Universe: elements = [ atom.translate(str.maketrans("", "", digits)) # Convert any hydrogens to H - .replace("HA", "H") - .replace("HB", "H") - .replace("HC", "H") + .replace("HA", "H").replace("HB", "H").replace("HC", "H") for atom in universe.atoms.names ] # Add elements to topology