chore: add count support

chemosim-lab · Nov 24, 2024 · 40763d0 · 40763d0
1 parent 53f420e
commit 40763d0
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/prolif/fingerprint.py b/prolif/fingerprint.py
@@ -730,7 +730,9 @@ def _run_bridged_analysis(self, traj, lig, prot, water, **kwargs):
         kwargs.pop("n_jobs", None)
         residues = kwargs.pop("residues", None)
         fp = Fingerprint(
-            interactions=["HBDonor", "HBAcceptor"], parameters=self.parameters
+            interactions=["HBDonor", "HBAcceptor"],
+            parameters=self.parameters,
+            count=self.count,
         )
 
         # run analysis twice, once on ligand-water, then on water-prot