Jmol-Application/C2/Introduction-to-Jmol-Application/English
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Slide Number 1
Title Slide |
Hello everyone.
Welcome to this tutorial on Introduction to Jmol Application. |
Slide Number 2
Learning Objectives |
In this tutorial, I will briefly explain about:
Jmol Application window and some basic operations.
Menu Bar, Tool bar, and Jmol panel.
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Slide Number 3
Learning Objectives |
We will also learn to:
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Slide Number 4
Prerequisites |
To follow this tutorial, you should have knowledge of
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Slide Number 5
System Requirement |
To record this tutorial I am using:
Please note. For Jmol Application to run smoothly, you should have Java installed on your system. |
Slide Number 6
About Jmol Application
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About Jmol Application.
It is,
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Slide Number 7
Download and Installation |
Information regarding Download and Installation
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Ubuntu Desktop Screen
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I have already installed Jmol Application on my system using Ubuntu Software Center. |
Click on “Dash Home” | To open the Jmol Application, click on Dash home. |
Type “Jmol” in the search box. | Type Jmol in the search box. |
Place Cursor on Jmol icon. | Jmol icon appears on the screen. |
Click on Jmol icon. | Click on the Jmol icon to open the Jmol Application window. |
Cursor on Top menu bar. | Jmol Application window has a menu bar at the top. |
Cursor on tool bar | Below the Menu bar there is a Tool bar. |
Cursor on the Display area
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Here is the Display area, which is referred to as Jmol panel. |
Cursor on the top menu bar and point as per narration. | In the menu bar, there are various options like File, Edit, Display, etc. |
Click on the “file” menu | Each of these have various sub-options as well. |
Cursor on “tool” menu | Tools menu has tools to measure distances between atoms, apart from other options.
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Cursor on the “Help” menu | Help menu has a lot of useful information about Jmol Application.
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Cursor on the tool bar.
Move the cursor on, load, save, export and print icons of tool bar. |
Tool bar has a number of menu icons.
The menu icons execute certain functions quickly; for eg open, save, export, print etc. |
Hover the mouse on “rotate, select a set of atoms and measurements” icons
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Here is a set of icons to rotate, select a set of atoms, measure distances, etc.
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Cursor on the Jmol panel. | The Jmol panel can be resized, according to our requirement. |
Move the Cursor to the top-right corner. | Take the cursor to any corner of the window till it changes into an arrow indicator. |
Drag diagonally upwards and downwards. | Now resize the window by dragging diagonally upwards or downwards. |
Click on the display menu on the top menu bar | Display menu in the menu bar can also be used to change the size of the panel. |
Scroll down to resize button at the bottom of the menu. | Click on Display menu and select Resize option. |
Cursor on the “Resize window” | A dialog box opens, where we can specify the width and height dimensions, in pixels. |
Cursor on the “Resize window”
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I need a window of size 800 by 600 pixels.
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Now the Jmol panel is resized to 800 by 600 pixels.
<Pause> | |
Cursor on the Jmol panel
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Let's now proceed to create models of some simple organic molecules. |
Cursor on the “Open the modelkit” icon | Modelkit allows us to build and modify models with energy minimization. |
Click on the “Open the modelkit” icon | Click on the “Open the modelkit” icon in the tool bar. |
Cursor on the methane molecule. | A model of Methane appears on the panel. |
Cursor on the modelkit menu | A menu appears on the top-left corner of the Jmol panel. |
Scroll down the “Modelkit” menu | Features of this menu include ability to
To use a particular feature on the menu, click on the check box provided. |
Cursor on the Methane molecule. | The Modelkit function allows us to substitute a hydrogen atom with a methyl group. |
Cursor on Hydrogen atom of the Methane molecule | Bring the cursor to the hydrogen atom you want to substitute. |
Click on Hydrogen atom | A red ring appears on that hydrogen atom.
Click on the atom. |
Cursor on the Methyl group | You will notice that a methyl group has been added. |
Cursor on the ethane molecule | Methane molecule is now converted to Ethane. |
Cursor on Hydrogen atom
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Repeat the same step as before.
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Cursor on the propane molecule | Energy minimization on this molecule will give us the most stable conformation. |
Cursor on the “Open the Modelkit menu | To do Energy minimization:
Scroll down the options in the Modelkit menu. |
Click on “minimize” | Click on the option minimize. |
Cursor on the propane molecule | We now have the model of the most stable conformation of Propane molecule. |
Cursor on Jmol panel. | To save this structure as a .mol file, open the Modelkit menu. |
Scroll down the Modelkit menu
Click on “save file” option |
Scroll down the menu and click on save file option. |
A Save dialog box appears on the screen.
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Click on the Desktop >> Open button | I am choosing Desktop as the location for saving my file.
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Click on File Name >> type Propane | Go to the File Name and type Propane in the text box. |
Click on Files of Type >> select MOL (*.mol)option. | Click on Files of Type and select MOL option. |
Click on “save” tab | Now, click on the Save button at the bottom right of the dialog box. |
Jmol panel | 3D model of Propane will be saved as .mol file on the Desktop. |
Click on File menu >> select Exit option | To exit Jmol, click on File menu and select Exit option, to exit the program.
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Slide Number 8
Summary |
Let's summarize.
In this tutorial we learnt :
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Slide Number 9
Assignment |
Using the Jmol Modelkit function, make models of the following molecules:
Your completed assignment should look as follows. |
Slide Number 10
Acknowledgement |
Watch the video available at the following link.
http://spoken-tutorial.org/What_is_a_Spoken_ Tutorial It summarizes the Spoken Tutorial project. If you do not have good bandwidth, you can download and watch it. |
Slide Number 11 | The Spoken Tutorial Project Team:
Conducts workshops using spoken tutorials. Gives certificates to those who pass an on-line test . For more details, please write to contact@spoken-tutorial.org |
Slide number 12 | Spoken Tutorial Project is a part of the Talk to a Teacher project
It is supported by the National Mission on Education through ICT, MHRD, Government of India More information on this Mission is available at this link http://spoken-tutorial.org/NMEICT-Intro ] |
This is Snehalatha from IIT Bombay signing off. Thank you for joining. |