docs: fix list instead of dict

chemosim-lab · Nov 24, 2024 · 0478d95 · 0478d95
1 parent f377538
commit 0478d95
Showing 1 changed file with 3 additions and 6 deletions.
diff --git a/docs/notebooks/docking.ipynb b/docs/notebooks/docking.ipynb
@@ -609,7 +609,7 @@
     "ref_mol = plf.Molecule.from_mda(ref)\n",
     "\n",
     "# generate IFP for the reference\n",
-    "fp_ref = plf.Fingerprint(fp.interactions)\n",
+    "fp_ref = plf.Fingerprint(list(fp.interactions))\n",
     "fp_ref.run_from_iterable([ref_mol], protein_mol)\n",
     "df_ref = fp_ref.to_dataframe(index_col=\"Pose\")\n",
     "\n",
@@ -853,11 +853,8 @@
   }
  ],
  "metadata": {
-  "interpreter": {
-   "hash": "8787e9fc73b27535744a25d17e74686c0add9df598b8e27ca04412fce7f0c7ae"
-  },
   "kernelspec": {
-   "display_name": "Python 3.8.5 ('prolif')",
+   "display_name": "prolif",
    "language": "python",
    "name": "python3"
   },
@@ -871,7 +868,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.9.13"
+   "version": "3.11.9"
   }
  },
  "nbformat": 4,