Release History

0.1.8 (2019-07-19)

Bugfixes

Fixed circular import issue in utils module.

0.1.7 (2019-07-17)

Improvements

Added methods to add/remove isotope property of atoms.
Added methods to add/remove charge property of atoms.
Add atom coloring algorithm.

0.1.6 (2018-08-20)

Improvements

Added new functionality to add charge to "N", "O", and "S" atoms within neutral molecules.

Bugfixes

Fixed bug where numeration within SDfile starts from "2" instead of "1".

0.1.5 (2018-08-15)

Improvements

Added "Atom" object as part of Ctab block that contains information about neighbor atoms and additional functionality.
Added "Bond" object as part of Ctab block.
Added custom serializer for "Atom" and "Bond" objects.
Added module-level documentation.
Improved representation of Ctab properties block.
Improved Ctab properties configuration file.

0.1.4 (2018-04-18)

Bugfixes

Fixed Python 2.7 and Python 3.4 compatibility.

0.1.2 - 0.1.3 (2018-04-17)

Bugfixes

Fixed bug of not including configuration file into source distribution.

0.1.1 (2018-04-16)

Improvements

Added ability to access list of Molfiles from SDfile instances.

0.1.0 (2018-04-04)

Initial public release.