Full Changelog: https://github.com/pharmai/plip/CHANGES.txt
- added new
--regionsflag to enable detection of interactions between protein regions (by @snbolz) - reworked XML and TXT report file naming; changes default behavior
- introduced pyproject.toml to ensure compliance with Python packaging standards
- updated Dockerfile
- fixed switched coordinates of halogen bond acceptor and donor atoms
- fixed handling of PDB input passed as string
- fixed handling of modified residues in protein and peptide ligands
- several minor bug fixes
New Contributors
- @snbolz made their first contribution in #168
- @CtrlShanya made their first contribution in #178
Full Changelog: v2.4.0...v3.0.0
Contributors
CtrlShanya and snbolz