#to run type "play view_script" from the directory with the script in it # # Display settings color Display Background iceblue display projection Orthographic display nearclip set 0.000000 display farclip set 10.000000 display depthcue off axes location off # # read in trajectory mol new traj.xyz type xyz # # deleate top rep ( as it automatically starts up with a lines rep) mol delrep 0 top # mol selupdate 0 0 1 mol representation DynamicBonds 1.4 0.1 6.0 mol color Name mol material Opaque mol addrep top # # make water oxygen red (1=red) mol selection {name O} mol color ColorID 1 mol representation VDW 0.20 30.0 mol addrep top # # make water hydrogen white (8=white) mol selection {name H} mol color ColorID 8 mol representation VDW 0.20 30.0 mol addrep top # # add in H-bonds (8=white) # distance cut-off, angle cut-off, line thickness mol selection {all} mol color ColorID 8 mol representation HBonds 3.0 30.0 3.0 mol addrep top # # select individual water to monitor make this molecule blue mol selection {index 42 44 43} mol color ColorID 0 mol representation VDW 0.5 30.0 mol addrep top #