Jmol-Application/C2/Introduction-to-Jmol-Application/English-timed
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Revision as of 16:49, 5 October 2015 by Sandhya.np14 (Talk | contribs)
Time | Narration |
00:01 | Hello everyone. |
00:02 | Welcome to this tutorial on Introduction to Jmol Application. |
00:07 | In this tutorial, I will briefly explain about: |
00:11 | 'Jmol' Application window and some basic operations. |
00:16 | We will learn about |
00:18 | Menu Bar, Tool bar and 'Jmol' panel. |
00:22 | How to: * Modify the size of Jmol panel. |
00:25 | * Create models of simple organic molecules. |
00:28 | * Build molecules by substituting hydrogen with a Methyl group. |
00:34 | We will also learn: |
00:36 | * To Minimize energy to get a stable conformation |
00:41 | and * Save the image as '.mol' file. |
00:45 | To follow this tutorial, you should have knowledge of: |
00:49 | * High school Chemistry and |
00:50 | * Basic Organic Chemistry. |
00:53 | To record this tutorial, I am using: |
00:56 | * Ubuntu Operating System version. 12.04 |
01:00 | * Jmol version 12.2.2 |
01:03 | and * Java version 7. |
01:06 | Please note- |
01:07 | for Jmol Application to run smoothly, you should have Java installed on your system. |
01:14 | About Jmol Application- |
01:17 | It is: * A free and open source Molecular Viewer. |
01:21 | * Used to create and view 3 dimensional models of chemical structures. |
01:27 | And also * Used to view secondary structures of proteins and macromolecules. |
01:33 | Information regarding Download and Installation- |
01:37 | For Ubuntu OS, installation of Jmol is done using Ubuntu Software Center. |
01:45 | Please follow this tutorial in the Linux series on our website www.spoken-tutorial.org. |
01:56 | For installation on Windows, Mac OS and Android devices, please visit: www.jmol.sourceforge.net |
02:08 | And follow the instructions given on the web page to install. |
02:13 | I have already installed Jmol Application on my system using Ubuntu Software Center. |
02:20 | To open the Jmol Application, click on Dash home. |
02:24 | Type Jmol in the search box. |
02:27 | Jmol icon appears on the screen. |
02:30 | Click on the Jmol icon to open the Jmol Application window. |
02:35 | Jmol Application window has a menu bar at the top. |
02:40 | Below the Menu bar, there is a Tool bar. |
02:43 | Here is the Display area which is referred to as Jmol panel. |
02:48 | In the menu bar, there are various options like- File, Edit, Display, etc. |
02:56 | Each of these have various sub-options as well. |
03:00 | Tools menu has tools to measure distances between atoms, apart from other options. |
03:07 | We will learn about these options in subsequent tutorials. |
03:12 | Help menu has a lot of useful information about Jmol Application. |
03:18 | It also has a user guide which contains the documentation. |
03:23 | Tool bar has a number of menu icons. |
03:27 | The menu icons execute certain functions quickly; for e.g.- open, save, export, print etc. |
03:37 | Here is a set of icons- to rotate, select a set of atoms, measure distances etc. |
03:47 | “ modelkit” icon is used to create and edit molecular models. |
03:53 | The Jmol panel can be resized according to our requirement. |
03:58 | Take the cursor to any corner of the window till it changes to an arrow indicator. |
04:04 | Now resize the window by dragging diagonally upwards or downwards. |
04:10 | Display menu in the menu bar can also be used to change the size of the panel. |
04:16 | Click on Display menu and select Resize option. |
04:20 | A dialog box opens where we can specify the width and height dimensions, in pixels. |
04:27 | I need a window of size 800 by 600 pixels. |
04:32 | So, I will type 800 space 600 and click on OK button. |
04:41 | Now the Jmol panel is resized to 800 by 600 pixels. |
04:47 | Let's now proceed to create models of some simple organic molecules. |
04:53 | Modelkit allows us to build and modify models with energy minimization. |
05:00 | Click on the “modelkit” icon in the tool bar. |
05:04 | A model of Methane appears on the panel. |
05:07 | A menu appears on the top-left corner of the Jmol panel. |
05:12 | Features of this menu include ability to * Easily add, delete, drag atoms. |
05:19 | * Add functional groups. |
05:21 | * Delete, add and rotate bonds. |
05:25 | * Add Hydrogens, Minimize and save files etc. |
05:30 | To use a particular feature on the menu, click on the check-box provided. |
05:35 | The Modelkit function allows us to substitute a Hydrogen atom with a Methyl group. |
05:41 | Bring the cursor to the Hydrogen atom you want to substitute. |
05:46 | A red ring appears on that Hydrogen atom. |
05:50 | Click on the atom. |
05:52 | You will notice that a Methyl group has been added. |
05:56 | Methane molecule is now converted to Ethane. |
06:00 | Repeat the same step as before. |
06:03 | Click on the Hydrogen atom to get a model of Propane. |
06:07 | Energy minimization on this molecule will give us the most stable conformation. |
06:13 | To do Energy minimization,- |
06:15 | Scroll down the options in the Modelkit menu. |
06:19 | Click on the option minimize. |
06:22 | We now have the model of the most stable conformation of Propane molecule. |
06:28 | To save this structure as a .mol file, open the Modelkit menu. |
06:33 | Scroll down the menu and click on save file option. |
06:37 | A Save dialog box appears on the screen. |
06:41 | Click on the folder where you want to save your file. |
06:45 | I am choosing Desktop as the location for saving my file. |
06:50 | So, select Desktop and click on the Open button. |
06:54 | Go to the File Name and type Propane in the text box. |
06:59 | Click on Files of Type and select MOL option. |
07:03 | Now, click on the Save button at the bottom right of the dialog box. |
07:08 | 3D model of Propane will be saved as .mol file on the Desktop. |
07:14 | To exit Jmol, click on the File menu and select Exit option to exit the program. |
07:21 | Let's summarize. |
07:22 | In this tutorial, we learnt : |
07:25 | * About Jmol Application window. |
07:27 | * Resize the Jmol panel. |
07:29 | * Use the Modelkit function in the Tool bar to create 3D models of simple organic molecules like Methane, Ethane and Propane. |
07:40 | * Build molecules by substitution of Hydrogen with Methyl group. |
07:45 | * Energy minimization to get a stable conformation. |
07:48 | * And save the image as .mol file. |
07:52 | Using the Jmol Modelkit function, make models of the following molecules: |
07:58 | * 2-4 Dimethyl Pentane and 3-Ethyl, 5-Methyl Heptane. |
08:03 | * Minimize the energy to get a stable conformation. |
08:07 | * Save the image as '.mol'file. |
08:11 | * Rotate the model using the rotate molecule in the tool bar. |
08:15 | Your completed assignment should look as follows. |
08:19 | Watch the video available at the following link: http://spoken-tutorial.org/What]_is_a_Spoken_ Tutorial |
08:22 | It summarizes the Spoken Tutorial project. |
08:26 | If you do not have good bandwidth, you can download and watch it. |
08:30 | The Spoken Tutorial Project team: * conducts workshops using spoken tutorials. |
08:36 | * Gives certificates to those who pass an on-line test. |
08:40 | For more details, please write to: contact@spoken-tutorial.org |
08:47 | Spoken Tutorial project is a part of the Talk to a Teacher project. |
08:52 | It is supported by the National Mission on Education through ICT, MHRD, Government of India. |
08:59 | More information on this mission is available at this link http://spoken-tutorial.org/NMEICT-Intro |
09:04 | This is Snehalatha from IIT Bombay, signing off. Thank you for joining. |