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Article ID: 194 - Last Modified:

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.

  1. 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.
  2. Choose NH for the target.
    The CH2 is changed to NH in the Workspace.
  3. Right-click on the N and choose Set Element → C.
  4. Right-click on the H and choose Set Element → O.
  5. 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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