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