update version number

prolif/molecule.py

@@ -339,7 +339,7 @@ class sdf_supplier(Sequence):
         Molecule suppliers are now sequences that can be reused, indexed,
         and can return their length, instead of single-use generators.
 
-    .. versionchanged:: 2.0.4
+    .. versionchanged:: 2.1.0
         Added ``sanitize`` parameter (defaults to ``True``, same behavior as before).
 
     """
@@ -397,7 +397,7 @@ class mol2_supplier(Sequence):
         Molecule suppliers are now sequences that can be reused, indexed,
         and can return their length, instead of single-use generators.
 
-    .. versionchanged:: 2.0.4
+    .. versionchanged:: 2.1.0
         Added ``cleanup_substructures`` and ``sanitize`` parameters
         (default to ``True``, same behavior as before).
 

prolif/plotting/complex3d.py

@@ -407,7 +407,7 @@ def save_png(self) -> None:
         """Saves the current state of the 3D viewer to a PNG. Not available outside of a
         notebook.
 
-        .. versionadded:: 2.0.4
+        .. versionadded:: 2.1.0
         """
         if self._view is None:
             raise ValueError(

prolif/plotting/network.py

@@ -861,7 +861,7 @@ def save_png(self):
         -----
         Requires calling ``display`` or ``show`` first. The legend won't be exported.
 
-        .. versionadded:: 2.0.4
+        .. versionadded:: 2.1.0
         """
         return display(
             Javascript(f"""

prolif/plotting/residues.py

@@ -23,6 +23,7 @@ def display_residues(
     size: Tuple[int, int] = (200, 140),
     mols_per_row: int = 4,
     use_svg: bool = True,
+    sanitize: bool = False,
 ) -> Any:
     """Display a grid image of the residues in the molecule. The hydrogens are stripped
     and the 3D coordinates removed for a clearer visualisation.
@@ -40,9 +41,11 @@ def display_residues(
         Number of residues displayed per row.
     use_svg: bool = True
         Generate an SVG or PNG image.
+    sanitize: bool = False
+        Sanitize the residues before displaying.
 
-    .. versionchanged:: 2.0.4
-        Disabled sanitization of residues for easier debugging.
+    .. versionchanged:: 2.1.0
+        Added ``sanitize`` parameter that defaults to False for easier debugging.
     """
     frags = []
     residues_iterable = (
@@ -53,7 +56,7 @@ def display_residues(
     )
 
     for residue in residues_iterable:
-        resmol = Chem.RemoveHs(residue, sanitize=False)
+        resmol = Chem.RemoveHs(residue, sanitize=sanitize)
         resmol.RemoveAllConformers()
         resmol.SetProp("_Name", str(residue.resid))
         frags.append(resmol)