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Release v2.2.5 source code.zip (2.1 MB)
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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| hbat-2.2.0-py3-none-any.whl | 2025-07-07 | 100.7 kB | |
| hbat-2.2.0.dmg | 2025-07-07 | 59.6 MB | |
| hbat-2.2.0.tar.gz | 2025-07-07 | 2.0 MB | |
| README.md | 2025-07-06 | 646 Bytes | |
| Release v2.2.0 source code.tar.gz | 2025-07-06 | 2.0 MB | |
| Release v2.2.0 source code.zip | 2025-07-06 | 2.1 MB | |
| Totals: 6 Items | 65.9 MB | 0 | |
What's Changed
- Adding ability to add fix missing hydrogen atom using Open Babel and PDBFixer
- Refactored core data structures to hold Atom, Bond, Residue under structure module
- Refactored MolecularInteraction - now inherited by other interaction e.g. HydrogenBond, HalogenBond, etc.
- Moved from dataclass to normal Python class for most of modules
- Added CCD data support for Atom and Bonds
- Refactored the constants
- Refactored the bond detection logic - now use CONECT, Residue Template Lookup in addition to distance by bond inference
Full Changelog: https://github.com/abhishektiwari/hbat/compare/v2.1.11...v2.2.0