diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 368ed3673d130c8984e22d0a056f25ab8985ef3b..261ad1c4e1c6a86048b652601c7d2aea5dc17397 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