# # Script for use with the HTML file "Make a covalent bond.html" # # First hide all atoms, then display the residues of interest # HIDE * display 1, 37, 38 zoom 0 delay 2 # # The # # Create a bond between the hydrogen and the ortho carbon, # and delete the bond from the hydrogen to the oxygen # connect (atomno=6) (atomno=530) single connect (atomno=12) (atomno=528) single connect (atomno=12) (atomno=6) delete delay 2 minimize SELECT (1, 38) select (1, 38) # # Run the command "write PDB" in the JSmol console after the minimize has finished # # The coordinates of the selected atoms will appear in the console. # Copy them to the appropriate location. #