#
# Script for use with the HTML file "Convert enol into keto.html"
#
#  First hide all atoms, then display the residue of interest
#
HIDE *
display 29
zoom 0
delay 2
#
#   The phenolic hydrogen on Tyr29 is moved to the ortho carbon.
#
#   Create a bond between the hydrogen and the ortho carbon,
#   and delete the bond from the hydrogen to the oxygen
#
connect (atomno=418) (atomno=406) single
connect (atomno=418) (atomno=409) delete
delay 2
minimize SELECT (29) 
select (29)
#
#  Run the command "write PDB" in the JSmol console
#
#  The coordinates of the selected atoms will appear in the console.
#  Copy them to the appropriate location.
#