Difference between revisions of "Jmol-Application/C2/Create-and-edit-molecular-models/English-timed"
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|00:01 | |00:01 | ||
− | | Hello everyone. | + | |Hello everyone.Welcome to this tutorial on '''Create and Edit molecular models''' in '''Jmol Application.''' |
− | Welcome to this tutorial on '''Create and Edit molecular models | + | |
|- | |- | ||
− | | 00:09 | + | |00:09 |
− | | In this tutorial, we will learn to | + | |In this tutorial, we will learn to: |
|- | |- | ||
− | | 00:12 | + | |00:12 |
− | | | + | |Substitute '''hydrogen '''atom in a molecular model with a '''functional group'''. |
|- | |- | ||
− | | 00:17 | + | |00:17 |
− | | | + | |Add and delete '''bonds''' |
|- | |- | ||
− | | 00:20 | + | |00:20 |
− | | | + | |Add and delete atoms and |
|- | |- | ||
− | | 00:23 | + | |00:23 |
− | | | + | |learn how to use the '''Pop-up menu''', also known as contextual menu. |
|- | |- | ||
− | | 00:29 | + | |00:29 |
− | | To follow this tutorial you should be familiar with | + | |To follow this tutorial, you should be familiar with- |
|- | |- | ||
− | | 00:32 | + | |00:32 |
− | | | + | |'''Jmol Application '''window and |
|- | |- | ||
− | | 00:36 | + | |00:36 |
− | | | + | |'''Modelkit''' function that is used to create molecular models. |
|- | |- | ||
− | | 00:41 | + | |00:41 |
− | | For relevant tutorials, please visit our website. | + | |For relevant tutorials, please visit our website. |
|- | |- | ||
− | | 00:46 | + | |00:46 |
− | | To record this tutorial, I am using | + | |To record this tutorial, I am using: |
|- | |- | ||
|00:49 | |00:49 | ||
− | | | + | |'''Ubuntu '''OS version '''12.04''' |
|- | |- | ||
− | | 00:53 | + | |00:53 |
− | | | + | |'''Jmol''' version '''12.2.2''' |
|- | |- | ||
− | | 00:57 | + | |00:57 |
− | | | + | |And '''Java '''version '''7'''. |
|- | |- | ||
− | | 01:00 | + | |01:00 |
− | | To open the '''Jmol Application''', click on '''Dash home'''. | + | |To open the '''Jmol Application''', click on '''Dash home'''. |
|- | |- | ||
|01:05 | |01:05 | ||
− | | Type '''Jmol''' in the search box. | + | |Type '''Jmol''' in the '''search box'''. |
|- | |- | ||
− | | 01:08 | + | |01:08 |
− | | '''Jmol''' icon appears on the screen | + | |'''Jmol''' icon appears on the '''screen'''. |
|- | |- | ||
− | | 01:11 | + | |01:11 |
− | | Click on the '''Jmol''' icon to open the Jmol application window. | + | |Click on the '''Jmol''' icon to open the '''Jmol application window'''. |
|- | |- | ||
− | | 01:17 | + | |01:17 |
− | | Let's begin with the model of '''Propane | + | |Let's begin with the model of '''Propane '''which we had created earlier. |
|- | |- | ||
− | | 01:22 | + | |01:22 |
− | | To open the file, click on '''“Open file”''' icon on the tool bar. | + | |To open the file, click on '''“Open file”''' icon on the tool bar. |
|- | |- | ||
− | | 01:27 | + | |01:27 |
− | |A dialog box appears on the screen. | + | |A dialog-box appears on the screen. |
|- | |- | ||
− | | 01:30 | + | |01:30 |
− | | Click on the folder where the required file is located. | + | |Click on the folder where the required file is located. |
|- | |- | ||
− | | 01:34 | + | |01:34 |
− | | My file is located on the '''Desktop'''. | + | |My file is located on the '''Desktop'''. |
|- | |- | ||
− | | 01:37 | + | |01:37 |
− | | So, I will select '''Desktop''' and click on the '''Open''' button. | + | |So, I will select '''Desktop''' and click on the '''Open''' button. |
|- | |- | ||
− | | 01:43 | + | |01:43 |
− | | Type the file name in the '''“File or URL” text box.''' | + | |Type the file name in the '''“File or URL” text box.''' |
|- | |- | ||
− | | 01:48 | + | |01:48 |
− | | Then, click on the '''Open '''button. | + | |Then, click on the '''Open '''button. |
|- | |- | ||
− | | 01:51 | + | |01:51 |
− | | The Model of '''Propane''' appears on screen. | + | |The Model of '''Propane''' appears on the screen. |
|- | |- | ||
− | | 01:55 | + | |01:55 |
− | | We can substitute '''hydrogens''' in the '''Propane''' with functional groups like: | + | |We can substitute '''hydrogens''' in the '''Propane''' with functional groups like: |
|- | |- | ||
− | | 01:59 | + | |01:59 |
− | | '''hydroxy, amino, halogens '''like''' fluro, chloro, bromo''' and others. | + | |'''hydroxy, amino, halogens '''like''' fluro, chloro, bromo''' and others. |
|- | |- | ||
− | | 02:07 | + | |02:07 |
− | | I want to add a '''hydroxy''' group to the '''Propane''' molecule | + | |I want to add a '''hydroxy''' group to the '''Propane''' molecule to convert it to '''Propanol'''. |
|- | |- | ||
− | | 02:13 | + | |02:13 |
− | | Open the '''model kit '''menu. A list of functional groups is available here. | + | |Open the '''model kit '''menu. A list of functional groups is available here. |
|- | |- | ||
− | | 02:20 | + | |02:20 |
− | | Check the box against '''oxygen '''atom. | + | |Check the box against '''oxygen '''atom. |
|- | |- | ||
− | | 02:23 | + | |02:23 |
− | | Click on the '''hydrogen '''atom attached to the first carbon atom. | + | |Click on the '''hydrogen '''atom attached to the first '''carbon''' atom. |
|- | |- | ||
− | | 02:28 | + | |02:28 |
− | | Observe that the '''hydrogen '''atom is replaced by '''hydroxy '''group. '''Oxygen | + | |Observe that the '''hydrogen '''atom is replaced by '''hydroxy '''group. '''Oxygen''' atom is seen in red color here. |
|- | |- | ||
− | | 02:37 | + | |02:37 |
− | | '''Propane '''is now converted to '''1-Propanol. ''' | + | |'''Propane '''is now converted to '''1-Propanol. ''' |
|- | |- | ||
− | | 02:41 | + | |02:41 |
− | | Let's now try to convert | + | |Let's now try to convert '''1-Propanol '''to '''2-chloro-1-propanol.''' |
|- | |- | ||
− | | 02:47 | + | |02:47 |
− | | Select '''Chloro''' group from the '''model kit '''menu. | + | |Select '''Chloro''' group from the '''model kit '''menu. |
|- | |- | ||
|02:51 | |02:51 | ||
− | | Click on the '''hydrogen '''atom attached to the second '''carbon '''atom. | + | |Click on the '''hydrogen '''atom attached to the second '''carbon '''atom. |
|- | |- | ||
− | | 02:57 | + | |02:57 |
− | | We now have the model of''' 2-chloro-1-propanol'''. '''Chlorine '''is seen in green color here. | + | |We now have the model of''' 2-chloro-1-propanol'''. '''Chlorine '''is seen in green color here. |
|- | |- | ||
|03:04 | |03:04 | ||
− | | You can do energy minimization and save the image as '''dot mol '''file. | + | |You can do energy minimization and '''save''' the '''image''' as '''dot mol '''file. |
|- | |- | ||
− | | 03:10 | + | |03:10 |
− | | Here is an assignment. | + | |Here is an assignment-Create models of the following molecules:'''3-bromo-1-butanol '''and '''2-amino-4-chloro-pentane'''. |
|- | |- | ||
− | | 03: | + | |03:20 |
− | | | + | |Do energy minimization and '''save''' the image in '''JPEG''' format. |
|- | |- | ||
− | | 03: | + | |03:25 |
− | | | + | |To save the image in different file formats, |
|- | |- | ||
− | | 03: | + | |03:28 |
− | | | + | |use “Save current view as an image” icon in the Tool bar. |
|- | |- | ||
− | | 03: | + | |03:33 |
− | | | + | |Your completed assignment should look as follows. |
|- | |- | ||
− | | 03: | + | |03:40 |
− | | | + | |Now, let's go back to the '''Jmol Application''' window. |
|- | |- | ||
− | | 03: | + | |03:45 |
− | | | + | |'''Jmol Application '''also offers a '''Pop-up '''menu. |
|- | |- | ||
− | | 03: | + | |03:50 |
− | | | + | |You can access the pop-up menu by two different methods. |
|- | |- | ||
− | | 03: | + | |03:55 |
− | | | + | |Exit the '''model kit '''menu, if it is open. |
|- | |- | ||
− | | 03: | + | |03:59 |
− | | | + | |Scroll down the '''model kit''' menu and click '''“Exit model kit mode”.''' |
|- | |- | ||
− | | | + | |04:04 |
− | | | + | |To open the '''Pop-up '''menu, right-click the '''mouse''' button on the panel. |
|- | |- | ||
− | | 04: | + | |04:09 |
− | | | + | |'''Pop-up '''menu appears on the panel. |
|- | |- | ||
− | | 04: | + | |04:12 |
− | | '''Pop-up '''menu | + | |'''Pop-up '''menu offers many functions to modify the display of atoms. |
|- | |- | ||
− | | 04: | + | |04:18 |
− | | | + | |It has a variety of selection and rendering options. |
|- | |- | ||
− | | 04: | + | |04:22 |
− | | | + | |Most of the functions in this menu are duplicated in the menu bar. |
|- | |- | ||
− | | 04: | + | |04:28 |
− | | | + | |The items in the '''Pop-up '''menu are self-explanatory. |
|- | |- | ||
− | | 04: | + | |04:32 |
− | | | + | |They don't need a detailed description. |
|- | |- | ||
− | | 04: | + | |04:35 |
− | | | + | |Click on the '''Jmol '''panel to exit the '''Pop-up '''menu. |
|- | |- | ||
− | | 04: | + | |04:39 |
− | | | + | |The second way to access the '''Pop-up '''menu is to click on the '''Jmol '''logo. |
|- | |- | ||
− | | 04: | + | |04:44 |
− | | | + | |It is located at the bottom right corner of the '''Jmol '''panel. |
|- | |- | ||
− | | 04: | + | |04:49 |
− | | | + | |Now, let's see how to '''edit''' this molecule and convert it to '''Ethane '''molecule. |
|- | |- | ||
− | | 04: | + | |04:55 |
− | | | + | |For this, we will delete the '''hydroxy '''group, the '''chlorine''' group, the '''carbon''' and two '''hydrogen''' atoms. |
|- | |- | ||
− | | | + | |05:05 |
− | | | + | |Open the '''model kit '''menu. |
|- | |- | ||
− | + | |05:08 | |
− | + | ||
− | + | ||
− | + | ||
− | | 05:08 | + | |
|Check the box against '''“delete atom”. ''' | |Check the box against '''“delete atom”. ''' | ||
|- | |- | ||
− | | 05:12 | + | |05:12 |
− | | Click on the atoms you want to delete | + | |Click on the atoms you want to delete- |
|- | |- | ||
− | | 05:15 | + | |05:15 |
− | | '''Oxygen, chlorine '''and the '''carbon '''atom. | + | |'''Oxygen, chlorine '''and the '''carbon '''atom. |
|- | |- | ||
− | | 05:21 | + | |05:21 |
− | |We have to add '''hydrogens '''to this molecule to create an '''ethane''' molecule. | + | |We have to add '''hydrogens '''to this molecule, to create an '''ethane''' molecule. |
|- | |- | ||
|05:26 | |05:26 | ||
− | | Click on '''“add hydrogens”''' option from the '''model kit''' menu. | + | |Click on '''“add hydrogens”''' option from the '''model kit''' menu. |
|- | |- | ||
− | | 05:32 | + | |05:32 |
− | | Two '''hydrogen '''atoms are added to the molecule. | + | |Two '''hydrogen '''atoms are added to the molecule. |
|- | |- | ||
− | | 05:36 | + | |05:36 |
− | | We now have the model of '''Ethane '''on the screen. | + | |We now have the model of '''Ethane '''on the '''screen'''. |
|- | |- | ||
− | | 05:40 | + | |05:40 |
− | | Let's learn how to create '''alkenes '''and '''alkynes'''. | + | |Let's learn how to create '''alkenes '''and '''alkynes'''. |
|- | |- | ||
− | | 05:45 | + | |05:45 |
− | | To introduce a double bond in the molecule, open the '''model kit''' menu. | + | |To introduce a double-bond in the molecule, open the '''model kit''' menu. |
|- | |- | ||
− | | 05:50 | + | |05:50 |
− | | Check against “'''double'''” option. | + | |Check against “'''double'''” option. |
|- | |- | ||
− | | 05:53 | + | |05:53 |
− | | Place the cursor on the bond between two carbon atoms in the '''Ethane''' molecule. | + | |Place the cursor on the bond between two carbon atoms in the '''Ethane''' molecule. |
|- | |- | ||
− | | 05:58 | + | |05:58 |
− | | Red colored rings appear around the '''carbon''' atoms. | + | |Red colored rings appear around the '''carbon''' atoms. |
|- | |- | ||
− | | 06:01 | + | |06:01 |
− | | Click on the bond. | + | |Click on the '''bond'''. |
|- | |- | ||
− | | 06:05 | + | |06:05 |
− | | Observe that the single bond is converted to a double bond. | + | |Observe that the single-bond is converted to a double-bond. |
|- | |- | ||
− | | 06:09 | + | |06:09 |
− | | We have a model of '''Ethene''' on the panel. | + | |We have a model of '''Ethene''' on the panel. |
|- | |- | ||
− | | 06:13 | + | |06:13 |
− | | Now | + | |Now, let's convert Ethene to Ethyne. |
|- | |- | ||
− | | 06:16 | + | |06:16 |
− | | Click on the '''modelkit '''menu and check against “'''triple'''” option. | + | |Click on the '''modelkit '''menu and check against “'''triple'''” option. |
|- | |- | ||
− | | 06:21 | + | |06:21 |
− | | Place the cursor on the double bond in the '''Ethene''' molecule and click on it. | + | |Place the cursor on the double-bond in the '''Ethene''' molecule and click on it. |
|- | |- | ||
− | | 06:28 | + | |06:28 |
− | | The double bond is converted to a triple bond. | + | |The '''double-bond''' is converted to a '''triple-bond'''. |
|- | |- | ||
− | | 06:31 | + | |06:31 |
− | | This is the model of '''Ethyne.''' | + | |This is the model of '''Ethyne.''' |
|- | |- | ||
− | | | + | |06:34 |
− | | Do the energy minimization to get the most stable conformation and save. | + | |Do the energy minimization to get the most stable conformation and '''save'''. |
|- | |- | ||
− | | 06:40 | + | |06:40 |
− | | Let's summarize. | + | |Let's summarize.In this tutorial, we have learnt to: |
|- | |- | ||
− | | 06: | + | |06:43 |
− | | | + | |Substitute the '''hydrogen''' atom in '''alkanes''' with a functional group. |
|- | |- | ||
− | | 06: | + | |06:48 |
− | | | + | |Add '''bond'''s to convert '''alkanes''' to '''alkenes''' and '''alkynes''' |
|- | |- | ||
− | | 06: | + | |06:52 |
− | | | + | |Add and delete atoms and |
|- | |- | ||
− | | 06: | + | |06:54 |
− | | | + | |Use the Pop-up-menu. |
|- | |- | ||
− | | 06: | + | |06:58 |
− | | | + | |For the Assignment-Create the models of '''2-fluoro-1,3-butadiene '''and''' 2-pentyne.''' |
|- | |- | ||
− | | | + | |07:06 |
− | | | + | |Use the Pop-up menu to change the display of the model to '''wireframe'''. |
|- | |- | ||
− | | | + | |07:10 |
− | | | + | |Do energy minimization and '''save''' the image in '''PDF '''format. |
|- | |- | ||
− | | 07: | + | |07:16 |
− | | | + | |Your completed assignment should look as follows. |
|- | |- | ||
− | | 07: | + | |07:24 |
− | | | + | |Watch the video available at this URL:http://spoken-tutorial.org/What_is_a_Spoken_Tutorial |
|- | |- | ||
− | | 07: | + | |07:27 |
− | | | + | |It summarizes the '''Spoken Tutorial''' project. |
|- | |- | ||
− | | 07: | + | |07:31 |
− | | | + | |If you do not have good bandwidth, you can download and watch it. |
− | + | ||
|- | |- | ||
− | | 07: | + | |07:36 |
− | | | + | |The Spoken Tutorial Project team: |
|- | |- | ||
− | | 07: | + | |07:38 |
− | | | + | |Conducts workshops using spoken tutorials. |
|- | |- | ||
− | | 07: | + | |07:41 |
− | | | + | |Gives certificates to those who pass an on-line test. |
|- | |- | ||
− | | 07: | + | |07:45 |
− | | | + | |For more details, please write to: '''contact@spoken-tutorial.org''' |
|- | |- | ||
− | | 07: | + | |07:52 |
− | | | + | |'''Spoken Tutorial''' project is a part of the '''Talk to a Teacher''' project. |
|- | |- | ||
− | | 07: | + | |07:57 |
− | | | + | |It is supported by the National Mission on Education through ICT, MHRD, Government of India. |
|- | |- | ||
− | | | + | |08:04 |
− | | | + | |More information on this mission is available at the following link: http://spoken-tutorial.org/NMEICT-Intro |
|- | |- | ||
− | + | |08:08 | |
− | + | |This is Snehalatha from IIT Bombay, signing off. Thank you for joining. | |
− | + | ||
− | + | ||
− | + | ||
− | + | ||
− | + | ||
− | + | ||
− | | 08:08 | + | |
− | | This is Snehalatha from IIT Bombay signing off. Thank you for joining. | + | |
− | + | ||
|} | |} |
Latest revision as of 15:56, 28 March 2017
Time | Narration |
00:01 | Hello everyone.Welcome to this tutorial on Create and Edit molecular models in Jmol Application. |
00:09 | In this tutorial, we will learn to: |
00:12 | Substitute hydrogen atom in a molecular model with a functional group. |
00:17 | Add and delete bonds |
00:20 | Add and delete atoms and |
00:23 | learn how to use the Pop-up menu, also known as contextual menu. |
00:29 | To follow this tutorial, you should be familiar with- |
00:32 | Jmol Application window and |
00:36 | Modelkit function that is used to create molecular models. |
00:41 | For relevant tutorials, please visit our website. |
00:46 | To record this tutorial, I am using: |
00:49 | Ubuntu OS version 12.04 |
00:53 | Jmol version 12.2.2 |
00:57 | And Java version 7. |
01:00 | To open the Jmol Application, click on Dash home. |
01:05 | Type Jmol in the search box. |
01:08 | Jmol icon appears on the screen. |
01:11 | Click on the Jmol icon to open the Jmol application window. |
01:17 | Let's begin with the model of Propane which we had created earlier. |
01:22 | To open the file, click on “Open file” icon on the tool bar. |
01:27 | A dialog-box appears on the screen. |
01:30 | Click on the folder where the required file is located. |
01:34 | My file is located on the Desktop. |
01:37 | So, I will select Desktop and click on the Open button. |
01:43 | Type the file name in the “File or URL” text box. |
01:48 | Then, click on the Open button. |
01:51 | The Model of Propane appears on the screen. |
01:55 | We can substitute hydrogens in the Propane with functional groups like: |
01:59 | hydroxy, amino, halogens like fluro, chloro, bromo and others. |
02:07 | I want to add a hydroxy group to the Propane molecule to convert it to Propanol. |
02:13 | Open the model kit menu. A list of functional groups is available here. |
02:20 | Check the box against oxygen atom. |
02:23 | Click on the hydrogen atom attached to the first carbon atom. |
02:28 | Observe that the hydrogen atom is replaced by hydroxy group. Oxygen atom is seen in red color here. |
02:37 | Propane is now converted to 1-Propanol. |
02:41 | Let's now try to convert 1-Propanol to 2-chloro-1-propanol. |
02:47 | Select Chloro group from the model kit menu. |
02:51 | Click on the hydrogen atom attached to the second carbon atom. |
02:57 | We now have the model of 2-chloro-1-propanol. Chlorine is seen in green color here. |
03:04 | You can do energy minimization and save the image as dot mol file. |
03:10 | Here is an assignment-Create models of the following molecules:3-bromo-1-butanol and 2-amino-4-chloro-pentane. |
03:20 | Do energy minimization and save the image in JPEG format. |
03:25 | To save the image in different file formats, |
03:28 | use “Save current view as an image” icon in the Tool bar. |
03:33 | Your completed assignment should look as follows. |
03:40 | Now, let's go back to the Jmol Application window. |
03:45 | Jmol Application also offers a Pop-up menu. |
03:50 | You can access the pop-up menu by two different methods. |
03:55 | Exit the model kit menu, if it is open. |
03:59 | Scroll down the model kit menu and click “Exit model kit mode”. |
04:04 | To open the Pop-up menu, right-click the mouse button on the panel. |
04:09 | Pop-up menu appears on the panel. |
04:12 | Pop-up menu offers many functions to modify the display of atoms. |
04:18 | It has a variety of selection and rendering options. |
04:22 | Most of the functions in this menu are duplicated in the menu bar. |
04:28 | The items in the Pop-up menu are self-explanatory. |
04:32 | They don't need a detailed description. |
04:35 | Click on the Jmol panel to exit the Pop-up menu. |
04:39 | The second way to access the Pop-up menu is to click on the Jmol logo. |
04:44 | It is located at the bottom right corner of the Jmol panel. |
04:49 | Now, let's see how to edit this molecule and convert it to Ethane molecule. |
04:55 | For this, we will delete the hydroxy group, the chlorine group, the carbon and two hydrogen atoms. |
05:05 | Open the model kit menu. |
05:08 | Check the box against “delete atom”. |
05:12 | Click on the atoms you want to delete- |
05:15 | Oxygen, chlorine and the carbon atom. |
05:21 | We have to add hydrogens to this molecule, to create an ethane molecule. |
05:26 | Click on “add hydrogens” option from the model kit menu. |
05:32 | Two hydrogen atoms are added to the molecule. |
05:36 | We now have the model of Ethane on the screen. |
05:40 | Let's learn how to create alkenes and alkynes. |
05:45 | To introduce a double-bond in the molecule, open the model kit menu. |
05:50 | Check against “double” option. |
05:53 | Place the cursor on the bond between two carbon atoms in the Ethane molecule. |
05:58 | Red colored rings appear around the carbon atoms. |
06:01 | Click on the bond. |
06:05 | Observe that the single-bond is converted to a double-bond. |
06:09 | We have a model of Ethene on the panel. |
06:13 | Now, let's convert Ethene to Ethyne. |
06:16 | Click on the modelkit menu and check against “triple” option. |
06:21 | Place the cursor on the double-bond in the Ethene molecule and click on it. |
06:28 | The double-bond is converted to a triple-bond. |
06:31 | This is the model of Ethyne. |
06:34 | Do the energy minimization to get the most stable conformation and save. |
06:40 | Let's summarize.In this tutorial, we have learnt to: |
06:43 | Substitute the hydrogen atom in alkanes with a functional group. |
06:48 | Add bonds to convert alkanes to alkenes and alkynes |
06:52 | Add and delete atoms and |
06:54 | Use the Pop-up-menu. |
06:58 | For the Assignment-Create the models of 2-fluoro-1,3-butadiene and 2-pentyne. |
07:06 | Use the Pop-up menu to change the display of the model to wireframe. |
07:10 | Do energy minimization and save the image in PDF format. |
07:16 | Your completed assignment should look as follows. |
07:24 | Watch the video available at this URL:http://spoken-tutorial.org/What_is_a_Spoken_Tutorial |
07:27 | It summarizes the Spoken Tutorial project. |
07:31 | If you do not have good bandwidth, you can download and watch it. |
07:36 | The Spoken Tutorial Project team: |
07:38 | Conducts workshops using spoken tutorials. |
07:41 | Gives certificates to those who pass an on-line test. |
07:45 | For more details, please write to: contact@spoken-tutorial.org |
07:52 | Spoken Tutorial project is a part of the Talk to a Teacher project. |
07:57 | It is supported by the National Mission on Education through ICT, MHRD, Government of India. |
08:04 | More information on this mission is available at the following link: http://spoken-tutorial.org/NMEICT-Intro |
08:08 | This is Snehalatha from IIT Bombay, signing off. Thank you for joining. |