Please also check the BUSTER home page and the news page for updates and snapshot releases. Issues mostly related to external programs can still be active: please check here.
The CSD System 2020 release (as of 18th December 2019) does apparently create problems when running Mogul as part of Grade, grade_PDB_ligand or buster-report (i.e. non-interactively): these programs will therefore not work with this version of the CSD System.
We are aware of those issues and are working together with our colleagues from the CCDC on tracking this down and finding a solution. An update to the CSD System software should be imminent.
Update:
These issues have been resolved by CSD update 2020.0.1, released by the CCDC on 19th February 2020. Please apply this update, either through the update option in Mercury or download the update from here to apply offline.
If occupancy refinement for C-terminal amino-acid residues is configured (e.g. via "pdb2occ") and the C-terminal residue contains an OXT atom, this OXT atom will most likely have its occupancy fixed at the starting value (since it is internally assigned to a follow-up residue to maintain the internal notion what a peptide linkage should look like). You might therefore have to edit the output files (PDB and mmCIF) by hand to adjust the occupancy value accordingly.
