OpenStructure 2.7

Release Notes

  • mmCIF writing support.
  • Added a SaveSDF function (avoids having to use SaveEntity to save an SDF file).
  • Support for reading EM resolution from mmCIF files in MMCifInfo.
  • Chemical components marked as obsoleted or reserved (which will never be used in the PDB, namely DRG, INH, LIG and the range 01 - 99) can now be optionally excluded from the compound library (see the -o and -r arguments to the chemdict_tool).
  • The number of symmetries explored in the ligand scoring can now be limited with the max_symmetries argument. Compounds with too many symmetries will be treated like they are not matching, and reported as unassigned with the new 'symmetries' reason. This allows avoiding extremely long execution times with some highly symmetrical ligands.
  • Several bug fixes and improvements.


Download the latest version of OpenStructure.

Compilation instructions for this version can be found here.

Financial Support

Swiss Institute of Bioinformatics

Biozentrum, University of Basel