First major stable release of MDAnalysis. The API will be stable for all 1.x releases.
- supports
- Python ≥3.5
- Python 2.7 (last major release to do so, see the Roadmap)
- new User Guide documentation
- many new features
- new hydrogen bonding and HOLE analysis modules, improved density analysis
- new file formats (Chemfiles reader, NAMD binary coordinates, FHI-AIMS, Gromacs ITP, Gromacs 2020 TPR), improved PDB parsing
- package interoperablity layer ("converters"): interface to ParmEd
- bug fixes
- better support for Windows 32 bit
- removed features and constructs that were previously deprecated
See the CHANGELOG for details.
Note that 1.x will not be further developped, with only occasional bug fixes being backported as described in the Roadmap.
The main development is geared towards MDAnalysis 2.x, which will only support Python 3.x and remove any code that was deprecated in 1.0.