ChemSketch has two modes, each with different toolbar functions: You will start in individual features, please consult the software manual or Help menu. ACD/ChemSketch is a powerful structure drawing and naming software program. This Technical Note After all radicals have been created, choose the manual. Introduction to ChemSketch. ChemSketch is a free download for educational use. It can be used to produce structures of organic molecules, names of organic.

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IrfanView is at https: If you are just playing around to see some structures, it may be simplest to stay within ChemSketch Section E. First, you can type in the label you want, and press insert.

Draw any molecule and dock it flexibly to any protein with coordinates known

The approach in this tutorial is to show by example. Drawing each of the practice structures will help you learn some of the features of ChemSketch, e. In this example, wedge bonds are used to show a specific stereoisomer at a stereocenter. The procedure described above is useful whenever you want a group to point in a specific direction different from the program default.

Double bonds may or may not show in the 3D module — depending on the “view”.


Unusual atoms labels X for halogen, Me, etc M. You can open either program or both programs in any order.


The “Copy to 3D” function does not seem to know whether you actually have a 3D structure. The free program IrfanView contains a chsmsketch screen capture feature. If you can embed these objects, and you want to edit them, do you need to be in the Structure or Draw modes, or either?

If you know of other exceptions, please chemsketcy me know. Interactions between the ChemSketch and 3D manua, J. Give the file a name of your choice, and click Ok to save it. With these simple tools, you are drawing molecules of C and H. Each example will introduce one new feature of using ChemSketch. Alternatively, you can click the button near the right end of the second toolbar; the button looks like a model of CH 4 and lights up with the name 3D Optimization.

You can also manuxl click, but this does not work for other tools, such as the common C tool. Open the file in RasMol. It is still a 2D object, however. It doesn’t really matter. You should now see a 2D structure of propane Fig What conformation is this?

Since antialiasing improves the quality of the screen display, one might just turn it on and leave it on. The following comments indicate a few changes, which may be of interest to those using an older version.


Again, practice copying examples. This gives you a in the figure. Find the section of the Table of Radicals called Cycles.

To do this, choose a wedge bond tool, and then click on the desired bond. If you want to remove a name that ChemSketch has put on the screen This is true for many viewing programs.

The three parts of the figure represent three stages in the drawing. Repeat the process described for butane, above. To add a second benzene ring to your structure, position the pointer over any specific atom of the first ring, and single click. The Reaction symbols template offers a small number of symbols, but perhaps of a more convenient size.

To make the figure, I copied each stage into a new position, so you could see each stage. To do this, go to Tools menu, and choose 3D Structure Optimization. At this point, you manuaal a 2D structure on the screen in ChemSketch. To rotate the molecule, hold down the left mouse button and drag the molecule around the x, y, and z axes.