Hi

This is probably a question for the Accelrys folk, but I was wondering if was possible to get hold of the old Cerius 2 algorithm for library enumeration?  The one where you set the core molecule, defined the attachement points then selected a set of substituent groups (with X atoms a the corresponding attachment point) for each R group and hit run.

It was perfect for the times when I have to enumerate a library - we seldom have more than 20-30 substituent groups we want to enumerate to a core, so it's easy to manually set the X groups, and the resulting enumeration was always unambiguous.  The rxn file based methods currently available are great if you have vast numbers to work through, but I just can't seem to get the definition correct in every case - I always end up writing different rxn files for when the attachment is part of a ring, has a secondary amine, and other special cases.

The old way was just so... easy!

Thanks

Hassan