From 15cb1478afad7b3ea6f0e4a59a45a4449f03a68c Mon Sep 17 00:00:00 2001 From: Chris Ringrose <119854158+CRingroseCCDC@users.noreply.github.com> Date: Thu, 15 Oct 2026 12:33:54 +0100 Subject: [PATCH] ReadMe updates for Discovery Scripts Added the latest two discovery scripts to readme. --- scripts/ReadMe.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/scripts/ReadMe.md b/scripts/ReadMe.md index 68be9f7..53731f0 100644 --- a/scripts/ReadMe.md +++ b/scripts/ReadMe.md @@ -31,6 +31,8 @@ Various scripts with no specific licence requirements that may be useful for a v |--------|-------------| | Find Binding Conformation | Generates idealized conformers for ligands and evaluates their RMSD to the conformation in the PDB. | | GOLD-multi | Use the CSD Docking API and the multiprocessing module to parallelize GOLD docking. | +| Overlay to Pharmacophore | Generates a CrossMiner Pharmacophore query from a Ligand Overlay output. | +| SMILES to Docking Pipeline | Virtual Workshop on creating a pipeline to dock multiple ligands from SMILES strings. | ## Materials