Article ID: 194 - Last Modified: April 26, 2011
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 'Ring 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. Chose NH, and use the View radio button to put it in the Workspace.
- Use the builder to change the N to C, the H to O, and increase the bond order.
- Start the job.
Keywords: mutation, ring atom, FEP, Maestro, Desmond
Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles