I wonder if it is possible to interact with the mutagenesis wizard from the command line?
I am trying to determine best mutants for FRET labelling, by predicting the pka value/reactivity for a possible cysteine.
I would like to make a script that loops over the residues in my protein, change the residue to a cysteine, save the molecule and then initiate propka to get the pka for the cysteine.
I have googled myself to:
fetch 4ins, async=0
But I get:
Error: please select an atom, not a bond.
Can someone help here?