This release marks a major milestone for OEChem: 10 years as an OpenEye product! In recognition of that, we are releasing OEChem 2.0 to clean up some rough edges and bring in some important new features. We are committed to maintaining a stable OEChem API and thus the vast majority of programs written with previous versions of OEChem should continue to be supported in the OEChem 2.x series. The only “backwards breaking” functional change that everyone will see is something that we feel all users will appreciate:
‘.smi’ will now output molecules with stereochemistry.
A few of the new major features in OEChem are:
This release also features the addition of two new toolkits to the distribution:
An important fix to Python on Windows was added to this release: