Changelog
- matplotlib is now an optional requirement
- Added
mass_of_element()
,atom_masses()
,mass_center()
andgyration_radius()
tostructure
subpackage - Increased performance of
AdjacencyMap
andsasa()
Note
Currently the build fails for the Windows x64 wheels, due to an error in the unit tests for the new SASA implementation. This will (hopefully) be fixed in the next version.