From 7c6d3d419c0f55a19bf53dae653b73a3f297d226 Mon Sep 17 00:00:00 2001
From: James Gebbie-Rayet <james.gebbie@gmail.com>
Date: Wed, 23 Sep 2026 12:05:04 +0100
Subject: [PATCH] Add rdkit dependency to Dockerfile

---
 docker/Dockerfile | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docker/Dockerfile b/docker/Dockerfile
index a04d6a4..71bf68a 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -16,6 +16,7 @@ RUN mamba install -y -c conda-forge \
     conda-forge::MDAnalysis=2.10.0 \
     conda-forge::prolif=2.2.1 \
     conda-forge::py3dmol=2.5.4 \
+    conda-forge::rdkit=2024.09.6 \
     conda-forge::openbabel=3.2.1
 
 COPY docker/fix-nglview.sh /tmp/fix-nglview.sh