From 81dd5ed73a48ba811304ab9211d501b973eb640c Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Thu, 20 Jun 2024 14:57:23 +0200 Subject: Fix rdkit availability, prefer user/isomeric SMILES In cases that the user specifies an isomeric SMILES, we want to use that with rdkit. If the user does not specify a SMILES, we prefer the isomeric one from PubChem over the canonical one, where stereochemistry is not defined. --- docs/reference/Rplot001.png | Bin 20412 -> 20376 bytes 1 file changed, 0 insertions(+), 0 deletions(-) (limited to 'docs/reference/Rplot001.png') diff --git a/docs/reference/Rplot001.png b/docs/reference/Rplot001.png index 0e4970e..ec5af46 100644 Binary files a/docs/reference/Rplot001.png and b/docs/reference/Rplot001.png differ -- cgit v1.2.1