diff --git a/CHANGELOG.txt b/CHANGELOG.txt index 741f143992c8ee63382295e3c317b80c899d334d..fa96fc4350ffe7b9439d8a6e8acd93aff4c538da 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -1,15 +1,23 @@ Changes in Release 2.9.0 -------------------------------------------------------------------------------- - + * lDDT-PLI now penalizes added model contacts by default. * Updated unassigned reasons (model and target) to better reflect changes to ligand scoring made in OST 2.8.0. * Added CSV output (--output-format csv) and by model (rather than target) - ligand output (--by-model-ligand-output) to compare-ligand-structures + ligand output (--by-model-ligand-output) to compare-ligand-structures action. + * Improved logging and output of compare-ligand-structures action. * Residue SetChemType() is now exposed in Python. * Allow reading of BIRD compounds in PRDCC format in the compound library. Compounds in PRD formats cannot be read and are rejected cleanly. + * The chemdict_tool executable now exits with an error status if no compound + were imported. + * The SDF writer populates the program name and time line (2) as per SDF + specification. + * The mmCIF reader now refuses to read in files with multiple data blocks + (except in fault tolerant mode), and warns about mmCIF files containing + more than one model (atom_site.pdbx_PDB_model_num). * Several bug fixes and improvements. Changes in Release 2.8.0