diff --git a/CHANGELOG.txt b/CHANGELOG.txt index fa96fc4350ffe7b9439d8a6e8acd93aff4c538da..ade415745296204fc35cb18b0aef6e5f0aa75f8a 100644 --- a/CHANGELOG.txt +++ b/CHANGELOG.txt @@ -18,6 +18,18 @@ Changes in Release 2.9.0 * 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). + * GDT produces slightly higher scores. It's an optimization problem in the + end to find the highest possible fraction of CA atoms that superpose within + a specified threshold. OpenStructure GDTTS scores are now on average 0.21 + points lower (range [0, 100]) than LGA when computed on all CASP15 TS models. + * Enable DockQ on protein-nucleotide and nucleotide-nucleotide interfaces. + * Enable per-atom lDDT scores. + * Optionally compute ICS/IPS scores on trimmed model. Reason for that is + scoring with incomplete target structures. The full ICS/IPS scores may + consider contacts between residues that are not resolved as false positives, + even though there is no experimental evidence. The approach with trimmed + models removes any model residue that cannot be mapped to the target + structure before scoring. * Several bug fixes and improvements. Changes in Release 2.8.0