* This fixes an error in toRDKMol and toOBMol when the system or configuration name is None.
2025.3.4
* Generalized the alignment/RMSD code to make it easier to do berofe and after comparisons in optimizations and similar applications. * Fixed a bug in the handling of spacegroup names. The full inetrnational symbols with added setting information were not properly recognized.
2025.2.23
* Fixed bug in isomeric SMILES and generally improved the handling of SMILES using RDKit. * Improved error checking for types when saving properties to the database. * Added control of properties when going to/from RDKit and OpenBabel.
2025.1.14
* JSON properties were read as strings, not as JSON objects. This is fixed.
2025.1.3
* The full precision coordinates are added as a property to the SDF file. If the full-precision coordinates are aavailable they are used when reading the SDF file.
2024.12.14
* This release ensures that types of properties are correctly handled when reading SDF files.
2024.12.14 -- Bugfix: more issues with property handling. * The types of properties were not kept when using Open Babel or RDKit, so when properties were reread from an SDF file the JSON properties were converted into strings, causing various errors. This is fixed.