Hi.
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<http://pymolwiki.org/index.php/Propka>to get the pka for the
cysteine.
I have googled myself to:
fetch 4ins, async=0
wizard mutagenesis
cmd.get_wizard().do_select("/4ins//A/ASN`18/CB")
cmd.get_wizard().do_pick("/4ins//A/ASN`18/CB")
But I get:
Error: please select an atom, not a bond.
Can someone help here?
Best
Troels
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