Update base.py

added parmed
talagayev · Aug 6, 2024 · 768be41 · 768be41
1 parent 8a1536b
commit 768be41
Showing 1 changed file with 3 additions and 0 deletions.
diff --git a/package/MDAnalysis/coordinates/base.py b/package/MDAnalysis/coordinates/base.py
@@ -127,6 +127,7 @@
 import numpy as np
 import numbers
 import warnings
+import parmed
 from typing import Any, Union, Optional, List, Dict
 
 from .timestep import Timestep
@@ -1665,6 +1666,8 @@ def __init__(self, filename, convert_units=True, n_atoms=None, **kwargs):
 
         if isinstance(filename, NamedStream):
            self.filename = filename
+        elif isinstance(filename, parmed.structure.Structure):
+           self.filename = filename
         else:
            self.filename = str(filename)
            if any(substring in self.filename for substring in ["MMTF", "Parmed", "OpenMM"]):