Molsystem

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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.

2024.12.11

* Transferring properties to the Open Babel and RDKit molecules was incorrect after
recent changes to the handling of properties. This fixes the problem, and now SDF
files have the properties correctly.

2024.12.7 -- Significant internal enhancement to property handling.
* An internal change, allowing listing and getting properties with wildcards,
working with multiple values at once. This is a significant change, but should
not affect the user interface. Also consolidated the property handling code for
configurations vs systems.

2024.11.27.1

* Added support for charge in chemical formulae, e.g. [H2 O]+.

2024.11.27

* The charge and multiplicity of the system were not correctly set when creating a
system from a SMILES string using RDKit. More generally, the charge and
multiplicity were not correctly set from an RDKit molecule unless explicitly given
in the properties.

2024.11.23

* Fixed an issue with the import of OpenEye that caused an error if OpenEye was not
available.

2024.11.21.1

* Added functions to get the versions of openbabel, openeye, and rdkit that are
installed.

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