Omega TK 2.5.3

New features

  • OEAddGlobalFragLib added to allow a given fragment library to be preloaded into the global fragment library where it can be shared among all OEOmega instances.

Note

This allows JAVA to use less memory when running OMEGA in multiple threads.

Minor bug fixes

  • The wart symbol has been changed from @ to _ in order to help with parsing SMILES formatting.
  • Bond stereochemistry is now properly perceived when strictstereo is set to false. Previously, there could be an OESubSearch warning due to unperceived bond stereochemistry.
  • The OENitrogenEnumeration namespace has been created. The namespace constants should be used in place of magic numbers.