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CHEMSKETCH

ChemSketch is a free molecular modeling software that can be used to draw organic molecules, name organic structures, and generate Lewis structures, 3D models, and other representations. It can be downloaded from their website with an email registration. The software allows users to construct molecules using buttons to add atoms and bonds. Templates are available to assist with common structures like amino acids. Molecules can be manipulated and analyzed in both 2D and 3D views. A variety of modeling options are available including ball-and-stick, space-filling, and framework representations.

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Geliane Rocha
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233 views10 pages

CHEMSKETCH

ChemSketch is a free molecular modeling software that can be used to draw organic molecules, name organic structures, and generate Lewis structures, 3D models, and other representations. It can be downloaded from their website with an email registration. The software allows users to construct molecules using buttons to add atoms and bonds. Templates are available to assist with common structures like amino acids. Molecules can be manipulated and analyzed in both 2D and 3D views. A variety of modeling options are available including ball-and-stick, space-filling, and framework representations.

Uploaded by

Geliane Rocha
Copyright
© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Introduction to ChemSketch

ChemSketch is a free download for educational use. It can be used to produce structures of organic molecules, names of organic molecules as well as Lewis structures, 3D structures, space filling models or ball and stick models, among other things. To get started go to http://www.acdlabs.com/download/chemsketch/download.html

Select ACD ChemSketch Freeware and follow the instructions (an email address is required). This is the latest version. (Periodically this is updated.) You do not have to work online to use the program.

Using the buttons available. Note that a pdf document is part of the download.

undo select paste copy 3D viewer choice of arrows, including equilibrium arrows

select other elements from periodic table

elements to select from

change position, eg CH3 instead of H3C

change the way the bond appears forwards (wedge) or backwards for a 3D diagram

choose what you want to type

When you load the program this is what you will see.

With structure highlighted, and C highlighted, you can draw a chain of carbon atoms.

Select the whole structure by a lasso or clicking near the structure and select All to show all carbon atoms, then Apply. (Set default if you want to.)

To have structure as CH3 rather than H3C , change position by clicking onto the change position button, select the C atom that you want to change and click until you have the desired position.

Using the properties box you can change font size, etc. Lasso what you want to change first using OR click next to the structure to select it.

To add, eg OH groups click the atom (O if you want an OH group) from the left hand side select the carbon where you want this and drag out.

To make a double bond (or triple bond) select the bond to the OH group.

Using Tools options

use if you want to create a 3D molecule

use to name the structure

Use the templates available

select templates

scroll down for options

For example, if you select amino acids you will get

Select an amino acid by clicking on it then clicking on to the working screen. eg selecting alanine

Using 3D models of molecules Draw, or get structure of molecule eg using alanine When changing to 3D mode there are two possible ways to do this: (i) when you only have one molecule shown (ii) when you have more than one molecule in your chemsketch document. (i) when you only have one molecule shown Select the molecule by clicking near it. Click the 3D viewer button (right hand side of buttons).

If you want to show all the CH bonds, select 3D structure Optimization from Tools.

In 3D mode you can select framework, ball and stick, spacefilling, etc. eg

If you want to see all the hydrogen atoms, select the molecule and click onto 3D structure optimization in tools before going to the 3D model.

(ii) when you have more than one molecule in your chemsketch document. Select 3D view from ACD labs. This will give you a blank screen in 3D mode.

Select 1ChemSketch bottom left of screen.

This takes you back to your chemsketch document. Then select the molecule and select Copy to 3D.

The molecule first appears as a frame work and you can change into the form you want such as ball and stick model or spacefilling model, etc. Using this method you can have a number of molecules on your page and select them separately to put into 3D. eg You could have cis and trans isomers that you could compare.

When you are in 3D mode you can use the mouse to move the molecule around to different views. You can change the colours and copy the molecule into other documents. Select Options if you want to change the colours used.

eg Make the back ground white, carbon black, oxygen red, nitrogen blue and hydrogen white.

Lewis Structures Click onto the template window and scroll down to Lewis structures. You can select the given examples by clicking them then go back to your document and click.

Alternatively you can use the dots provided and make your own molecules. Select a pair of dots by clicking on, go back to the document and click. The dots are pasted. You may want to change the size of these. This is done selecting structure.

To draw your own Lewis Structure, eg NH3, select structure, select N and click onto document. This will give you NH3. Select H, click onto the N of the molecule and drag the H atoms out to the desired position.

Copy the dots as appropriate

If you want to show all the bonds using dots, the bonds need to be change to white rather than black. This is done using properties.

select bond, then select white for colour then apply

Paste dots as required. This is done using draw. The dots may be moved through 90o. All objects can be selected and grouped.

copy

paste

group

If you want to draw a 3D diagram rather than a Lewis structure, drag to the shape you want, select the 3D bonds using the buttons at the top of the screen.

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These are only some of the features that you will find useful from Chemsketch. eg You can select different arrows, including arrows suitable for equilibrium systems. You can write reagents or conditions above the reaction arrow. You can change an acid to the anion of the acid showing a negative charge. Everything you do in Chemsketch can be copied into a word document. The template window has a folder called lab kit which contains 7 pages of diagrams of equipment. Once you get started you will find many other ways to use this programme so have fun!

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