computer programs
The DSR computer program has received many minor and major updates over the past two years. This publication describes some new features, such as disorder modelling on special positions, error detection for restraints and trifluoromethyl group modelling. Most importantly, the graphical user interfaces (GUIs) make DSR a lot easier to use, especially in modelling disorder on special positions that would have been difficult to implement without a GUI. In addition, generating and editing of new fragments in the database is now much easier.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600576718004508/to5174sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600576718004508/to5174Isup2.hkl |
CCDC reference: 1822173