Article ID: 194 - Last Modified: May 27, 2014
I would like to mutate a CH2 to C=O in a ring via FEP, but I don't see this as an option in Desmond's 'Ring atom mutation by FEP panel'. Is this mutation possible?
Yes, it is possible, with the following procedure.
- In the Atom Mutation by FEP panel, select the CH2 in the ring.
Once selected, you will have very limited choices as to what you can mutate it to.
- Choose NH for the target.
The CH2 is changed to NH in the Workspace.
- Right-click on the N and choose Set Element → C.
- Right-click on the H and choose Set Element → O.
- Right-click on the new C-O bond and choose Order → Double.
The NH group is now a C=O group. You can continue with other settings and start the job.
Keywords: ring atom, Maestro
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