From 23821eac04e143a732beb87687df303d465becd7 Mon Sep 17 00:00:00 2001 From: Xavier Robin <xavalias-github@xavier.robin.name> Date: Tue, 25 Jul 2023 09:50:20 +0200 Subject: [PATCH] Update CHANGELOG --- CHANGELOG.txt | 3 +++ 1 file changed, 3 insertions(+) diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 368ed3673..261ad1c4e 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -6,6 +6,9 @@ Changes in Release 2.6.0 * Rotamer based compression in OMF file format. * Chain mapping updates. Default chain mapping strategy now uses increased sampling - only marginal runtime increase. + * The compound library now knows about SMILES strings and atom charges. + Backward compatible with older compound libraries. + * Compound library now reads the "InChI=" part of InChI codes. * Several bug fixes and improvements. Changes in Release 2.5.0 -- GitLab