Updating to Open Babel 3.0 from 2.x
28 04 19 - Filed in: openbabel
Just a quick heads up, the update to version 3.0 breaks the API in a number of cases, and introduces some new behaviour behind-the-scenes.
For full details https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html.
In particular
The babel
executable has been removed, and obabel
should be used instead.
In OB 3.x, both openbabel.py and pybel.py live within the openbabel module
There are also changes to the handling of elements, atoms and bond flags, and aromaticity.
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