JChemPaint/C3/Properties-of-JChemPaint/English
Visual Cue | Narration |
Slide Number 1
Title Slide |
Hello everyone.
Welcome to this tutorial on Properties of JChemPaint.. |
Slide Number 2
Learning Objectives |
In this tutorial, we will learn to change
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Slide Number 3
System Requirement |
To record this tutorial I am using,
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Slide Number 4
Pre-requisites |
To follow this tutorial you should be familiar with,
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Let's switch to JChemPaint window. | |
Point to .jar file | Recall that we had saved our .jar file on the Desktop. |
Press CTRl+ALt+T keys simultaneously to open the terminal. | Press CTRl+ALt and T keys simultaneously to open the Terminal. |
Type “cd space Desktop” and press Enter. | Type '“cd space Desktop” and press Enter. |
Type java -jar ./jchempaint-3.3-1210.jar and press Enter. | Type “java space -jar space ./jchempaint-3.3-1210.jar” and press Enter.
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Let's begin with Periodic Table trends. | |
Point to the Tool bar at the bottom.
Point to the element buttons. |
The tool bar at the bottom shows buttons of some important elements. |
Point to the buttons. | The tool bar has two extra buttons towards the right.
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Click on the button. | Click on Select new drawing symbol from periodic table button. |
Move the cursor towards the window. | Choose an element window opens with an inbuilt Periodic Table. |
Point to information box. | Here we can see a box with the text Periodic Table of elements.
This is an information box. |
Point to information box.
Move the cursor on to Oxygen. |
The information box displays the details of the chosen Element.
For eg: I will place the cursor on Oxygen. |
Point to the information box.
Point to different elements. |
Details about Oxygen are displayed in the information box.
Likewise, we can see the details of various Elements in the information box. |
Click on Close. | Click on Close to close the window. |
Click on Enter an element symbol via keyboard button >> click on the Panel. | Click on Enter an element symbol via keyboard button.
Click on the Panel. |
Point to the box. | Enter element text box opens.
We can type the symbol of the Element in the text box. |
Type Xe for Xenon in the box >> click on OK button. | For example: I will type Xe for Xenon.
Click on OK button. |
Point to the symbol. | The symbol of Xenon(Xe) is displayed on the Panel. |
Now, let's draw the structure of Xenondifluoride (XeF2). | |
Go to Edit menu and navigate to Preferences>> click on it. | Go to Edit menu, navigate to Preferences and click on it. |
Point to the Preferences window | Preferences window opens. |
Point to Show Implicit hydrogens check box.
Click Ok to close the Preferences window. |
Uncheck Show Implicit hydrogens check box if it is checked.
Click OK to close the Preferences window. |
Click on Fluorine(F) button >> click on Single bond button. | Click on Fluorine(F) button and then click on Single bond button. |
Move the cursor on Xenon atom.
Point to the blue circle. |
Move the cursor on Xenon atom.
Notice, a small blue circle appears on it. |
Click >> hold the left mouse button. | Click and hold the left mouse button.
And then drag to draw two Xenon-Fluoride bonds. |
Now I will explain about Xenon's Atom Popup Menu. | |
Right click on Xenon.
Point to Atom Popup Menu. |
Move the cursor over to Xenon atom, right-click on it.
Xenon's Atom Popup Menu opens. |
Point to Isotopes, Change Element and Properties. | Here, I will explain about Isotopes, Change Element and Properties options. |
Point to the submenu >>Isotopes of Xenon. | Let's first move to Isotopes.
A submenu opens with a list of Isotopes of Xenon. |
Move the cursor to Change Element. | Next, I will move the cursor to Change Element. |
Point to the submenu >>various categories of elements of elements. | A submenu opens with various categories of elements.
I will scroll down to various categories. |
Move the cursor to Alkali Earth Metals.
Point to the list. |
I will choose Alkali Earth Metals.
Alkali Earth Metals list opens. |
Select the Calcium from the list.
Point to the replaced element. |
Select Calcium(Ca) from the list.
We see that element Xenon is replaced by Calcium. |
Right click on Calcium.
Calcium's Atom Popup Menu opens. |
Now, we move on to Molecular Properties option.
Right click on Calcium. Calcium's Atom Popup Menu opens. |
Move the cursor to Molecular Properties option.
Point to Properties text box. |
Click on Molecular Properties option.
Properties text box opens. |
Type compound's name.
Point to the displayed text. |
Type the name of the compound as Calcium Fluoride and click OK button.
Name of the compound is displayed below the structure. |
Click on Save button the tool bar. | Let us save the file now.
Click on Save button on the tool bar. |
Point to the dialogue box. | Save dialog box opens. |
Type the file name as Calcium-fluoride.
Click on Save button. |
Type the file name as Calcium-fluoride.
Click on Save button. |
Next, we will learn how to create a reaction. | |
To draw a reaction, we need to draw the required structures. | |
Point to the window.
Point to the reactants and products. |
I have opened a new window with required structures.
Here the reactants are Propene and Chlorine molecules and product is 1,2-dicholoropropane. |
Click on Reaction arrow button.
Click between reactants and products. Point to the created reaction. |
On the left side tool bar, click on the Reaction arrow button.
Click between reactants and products. The reaction is created. |
Click on Relayout the structures button on the tool bar. | We will now allign the structures properly in the reaction.
Click on Relayout the structures button on the top tool bar. |
I will now discuss about how to set up an R group query. | |
Slide Number 5
R-group query |
What is an R-group query?
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Click on Create a new file icon. | Click on Create a new file icon to open a new window. |
Click on Draw a chain button.
Click on the Panel >> drag to draw a Carbon chain with three Carbons. |
Click on Draw a chain button.
Click on the Panel and drag to draw a Carbon chain with three Carbon atoms. |
Let's create a substituent that has to be attached to the Carbon chain.
For example, Benzene. | |
Click on Benzene ring on right side tool bar.
Click on the Panel. |
Click on Benzene ring on right side tool bar.
Click on the Panel. |
Point to the terminal Carbon atom | Let's label the terminal Carbon atom as R1 in the Carbon chain. |
Right click on terminal Carbon atom.
Move the cursor onto Atom Pop menu. |
Right click on terminal Carbon atom.
Atom Pop menu opens. |
Point to the submenu. | Scroll down to Pseudo Atoms.
A submenu opens; select R1. |
Now let's define the Carbon chain as root structure. | |
Click on Selection button. | Click on Selection button.
Select the Root structure by dragging over it. |
Go to R-groups menu and select Define as Root Structure.
Point to the substituents. |
Go to R-groups menu and select Define as Root Structure.
The substituent structure will be added as Not in R-Group. |
Click on Select button and select the Substituent.
Go to R-groups menu and select Define as Substituent. |
Click on Selection button; select the Substituent.
Go to R-groups menu and select Define as Substituent. |
Point to the input box.
Point to the substituent. |
An input box opens.
Here, enter an R-group number as “1” and click OK button. The substituent will be numbered as R1. |
Point to the Root structure marked as asterisk(*)
Point to the substituent marked with asterisk(*) |
On the Root structure, the substituent R1 will be marked as asterisk(*)
The attaching Carbon atom of the substituent R1 will also be marked with an asterisk(*). |
Click on Selection button>> select Root Structure and substituent(R1). | Click on the Selection button, select Root Structure and substituent(R1). |
Go to R-groups menu>> select General Possible configurations(sdf). | Go to R-groups menu, select General Possible configurations(sdf). |
Point to the dialog box. | Save dialog box opens. |
Type the file name as r-group >>select the file location as Desktop.
Click on Save button. |
Type the file name as r-group, select the file location as Desktop.
Click on Save button. |
Click on Open icon on the tool bar | Click on Open icon on the tool bar.
Open dialogue box opens. |
Point to “Files of Type” field select “All Files”. | In the “Files of Type”, select “All Files” |
Click on Desktop folder>>select the saved r-group file.
Click on “Open” |
Click on Desktop folder.
Click Open; then select the saved r-group file. Click on “Open” button. |
Point to OK | A message pops up; click OK. |
Move the cursor on the file. | A new file opens with r-group query structure. |
Click on Relayout the structures button on the tool bar. | To allign the structure properly,
Click on Relayout the structure button on the tool bar. |
Point to the structure. | The structure shown is root structure along with attached R-group substituent Benzene. |
Let's summarize. | |
Slide Number 6
Summary |
In this tutorial we have learnt
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Slide Number 7
Assignment. |
As an assignment,
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Slide Number8
Acknowledgement |
This video summarizes the Spoken Tutorial project
If you do not have good bandwidth, you can download and watch it. |
Slide Number 9 | Spoken Tutorial team conducts workshops using Spoken Tutorials and gives certificates.
Please contact us. |
Slide number 10 | The Spoken Tutorial Project is funded by NMEICT, MHRD Government of India.
More information on this Mission is available at this link. http://spoken-tutorial.org/NMEICT-Intro ] This is Madhuri Ganapathi from IIT Bombay signing off. Thank you for joining. |