Omega TK 2.5.4

New features

• The namespace OESliceEnsembleDefaults has been created with defaults for OESliceEnsemble. These defaults have been updated in order to match the defaults that OMEGA uses during conformer generation.

Major bug fixes

• Fixed possible crash caused when reading empty lines in torsion library files.

• Fixed a bug where OENitrogenEnumeration::All was equivalent to OENitrogenEnumeration::Unspecified. Now OENitrogenEnumeration::All will properly enumerate nitrogen atoms with specified stereochemistry.

Minor bug fixes

• A bug has been fixed where OESubSearch warnings could appear due to unset bond stereochemistry. Bond stereochemistry is now always set properly.