OpenStructure 2.9.1
Release Notes
- Enhanced structure cleanup in ligand scoring to avoid issues when non-standard atoms are present in reference/ model structures. Cleanup is logged and available as output in the compare-ligand-structures action.
- Disabled automatic ligand extraction from PDB files. For mmCIF this is still possible and strictly uses the _entity.type item "polymer" to identify receptor chains and "non-polymer" to identify ligands.
- OMF bugfix: avoid potentially endless loop in OMF parsing
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