Molsystem

Latest version: v2025.4.1

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2024.11.21

* Added the ability to create a system from an OpenEye molecule and vice versa.
This gives access to the OpenEye toolkit for generating conformers, etc.
* Added the ability to create a system from a SMILES string and create the SMILES
string from a system using OpenEye.

2024.11.12

* Any properties on the system and configuration are optionally added to the
Openbabel Molecule object for e.g. writing to an SDF file. This adds the units of
the properties explicitly

2024.10.1

* Fixed bug where the coordinates from PubChem were accidentally the 2-D rather than
3-D coordinates.

2024.8.17

* Existing instances of systems did not correctly update when the default
configuration was changed. This is release fixes the problem.

2024.8.5

* Fixed bug where creating molecules consisting of just hydrogen failed because
RDKit by default ignores all hydrogens when reorienting the molecule.

2024.6.21

* RDKit seems more robust, and also the atom typing uses RDkit, so compatibility is
important.

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