Allow cuts in molecule design

Started by Bruno Kestemont

Bruno Kestemont Lv 1

This idea comes from the AfphaFold process explained here (Foldit named at min 6'47", min 17"45" suggested me the idea):

As humans, we use intuition to try to fit atoms in several pockets, but we are constrained by the fact that the atoms are linked within the design.

With cuts, we could first position atoms and fragments at the right place, then looking for a way to link the fragments and "uncut".

rmoretti Staff Lv 1

Being able to work with multiple molecule fragments with small molecule design is something that's been on our internal wish list for a while now.