OMEGA 3.0.1

(August 2018)

Major bug fixes

  • A bug that caused memory leaks in OMEGA classic, dense, pose, and rocs modes, has been fixed. Previously, a substantial memory leak was experienced when running OMEGA on a large database.
  • OMEGA macrocycle no longer uses excessive memory for molecules with terminal heavy atoms.

Minor bug fixes

  • OMEGA classic no longer omits conformer titles when -includeInput is set to true. Previously, the resulting conformers had no titles.

Other changes

  • Default values of -max_iterations and -maxconfs of OMEGA macrocycle have been changed to 2000 and 400 respectively.