CCL: Drawing Software

["david hose" <anthrax_brothers===hotmail.com>]

 Sent to CCL by: "david  hose" [anthrax_brothers.:.hotmail.com]
 Flak,
 I don't know of a package that will do this directly for you, but you can use
 Excel (or your favorite
 graph drawing package) to draw you energy profiles with the typical truncated
 sawtooth pattern.
 Consider the reaction A -> B -> C, where the energy change for A -> B
 is 10 kcal, and B -> C is -
 30 kcal.  In your favorite package set up the following table;
 0
 0
 10
 10
 -20
 -20
 Plotting the data as a line graph will produce the typical truncated sawtooth
 plot.  Play around with
 the formating of the individual points to produce segments of the line that is
 thicker or thinner as
 required.
 If you want to have a different spacing on the x-axis, set up this table;
 1.0   0
 2.0   0
 3.5   10
 4.5   10
 6.0   -20
 7.0   -20
 Then plot the data as a scatter plot and format the points/line segments as
 required.
 If you are using Excel, you can paste chemical structures into the graph from
 most (2D) chemical
 drawing packages, or picture of your 3D structure.
 Of course if you are using a spreadsheet, you could create a table of energy
 changes for each step,
 and then get Excel to create the forementioned tables.  I've set up my own
 template for these graphs
 with all the calculations and formatting already done which saves a lot of
 effort.
 Hope that helps.
 Regards,
 Dave.
 >Sent to CCL by: "W  Flak" [williamflak{=}yahoo.com]
 >Dear CCL
 >I was wondering if there is a free software to draw the reaction mechanism,
 >energy levels of reactants, transition state and products, where I use
 chemdraw
 >but the graph is not organised well.
 >Thanks in advance
 >Flak>