Difference between revisions of "Jmol-Application/C2/Create-and-edit-molecular-models/English"
Snehalathak (Talk | contribs) |
|||
Line 3: | Line 3: | ||
'''Author: Snehalatha Kaliappan''' | '''Author: Snehalatha Kaliappan''' | ||
− | '''Keyword: 3D models of chemical structures, molecular visualization, video tutorial. | + | '''Keyword''': 3D models of chemical structures, molecular visualization, video tutorial. |
* '''Outline:- ''' | * '''Outline:- ''' | ||
Line 12: | Line 12: | ||
− | {| | + | {| border=1 |
! <center>Visual Cue</center> | ! <center>Visual Cue</center> | ||
! <center>Narration</center> | ! <center>Narration</center> | ||
|- | |- | ||
− | | | + | || '''Slide Number 1''' |
'''Title Slide''' | '''Title Slide''' | ||
− | | | + | || 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 in''' '''Jmol Application.''' | ||
|- | |- | ||
− | | | + | || '''Slide Number 2''' |
'''Learning Objectives''' | '''Learning Objectives''' | ||
− | | | + | || In this tutorial, we will learn to, |
Line 39: | Line 39: | ||
|- | |- | ||
− | | | + | || '''Slide Number 3''' |
'''Pr-requisites''' | '''Pr-requisites''' | ||
− | | | + | || To follow this tutorial you should be familiar with, |
Line 51: | Line 51: | ||
|- | |- | ||
− | | | + | || '''Slide Number 4''' |
'''System Requirement''' | '''System Requirement''' | ||
− | | | + | || To record this tutorial, I am using |
* '''Ubuntu '''OS version. 12.04 | * '''Ubuntu '''OS version. 12.04 | ||
Line 63: | Line 63: | ||
|- | |- | ||
− | | | + | || 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. |
|- | |- | ||
− | | | + | || Cursor on Jmol icon. |
− | | | + | || Jmol icon appears on the screen |
|- | |- | ||
− | | | + | || Click on the Jmol icon. |
− | | | + | || Click on the Jmol icon to open the Jmol application window. |
|- | |- | ||
− | | | + | || Cursor on Jmol panel. |
− | | | + | || Let's begin with the model of '''Propane, '''which we had created earlier'''.''' |
|- | |- | ||
− | | | + | || Cursor on Jmol panel |
Click on “open a file” icon. | Click on “open a file” icon. | ||
− | | | + | || To open the file, click on '''“Open a file”''' icon on the tool bar. |
|- | |- | ||
− | | | + | || Cursor on the dialog box |
− | | | + | || A dialog box appears on the screen. |
|- | |- | ||
− | | | + | || Cursor on the dialog box |
− | | | + | || Click on the folder where the required file is located. |
|- | |- | ||
− | | | + | || Click on the “desktop”. |
Click on the “open” button | Click on the “open” button | ||
− | | | + | || My file is located on the '''Desktop'''. |
Line 109: | Line 109: | ||
|- | |- | ||
− | | | + | || Click on the “propane” file |
− | | | + | || Type the file name in the '''“File or URL” text box.''' |
Line 116: | Line 116: | ||
|- | |- | ||
− | | | + | || Cursor on the propane molecule. |
− | | | + | || The Model of '''Propane''' appears on screen. |
|- | |- | ||
− | | | + | || Cursor on the propane molecule. |
− | | | + | || We can substitute '''hydrogens''' in the '''Propane''' with functional groups like: |
'''hydroxy, amino, halogens '''like''' fluro, chloro, bromo''' and others. | '''hydroxy, amino, halogens '''like''' fluro, chloro, bromo''' and others. | ||
|- | |- | ||
− | | | + | || Click on the Modelkit menu |
Click on the check box against oxygen atom. | Click on the check box against oxygen atom. | ||
− | | | + | || I want to add a '''hydroxy''' group to the '''Propane''' molecule, to convert it to '''Propanol'''. |
Line 139: | Line 139: | ||
|- | |- | ||
− | | | + | || Cursor on hydrogen atom >> Click on the hydrogen atom. |
− | | | + | || Click on the '''hydrogen '''atom attached to the first carbon atom. |
|- | |- | ||
− | | | + | || Cursor on the Hydroxyl group |
Cursor on the propanol molecule | Cursor on the propanol molecule | ||
− | | | + | || Observe that the '''hydrogen '''atom is replaced by '''hydroxy '''group. '''Oxygen atom''' is seen in red color here. |
Line 153: | Line 153: | ||
|- | |- | ||
− | | | + | || Cursor on the propanol molecule |
− | | | + | || Let's now try to convert 1-'''Propanol '''to '''2-chloro-1-propanol.''' |
|- | |- | ||
− | | | + | || Click on the check box against chloro group. |
− | | | + | || Select '''Chloro''' group from the '''model kit '''menu. |
Line 164: | Line 164: | ||
|- | |- | ||
− | | | + | || Click on hydrogen atom |
− | | | + | || Click on the '''hydrogen '''atom attached to the second '''carbon '''atom. |
|- | |- | ||
− | | | + | || Cursor on the panel |
− | | | + | || We now have the model of''' 2-chloro-1-propanol'''. '''Chlorine '''is seen in green color. |
Line 175: | Line 175: | ||
|- | |- | ||
− | | | + | || '''Slide number 5''' |
'''Assignment''' | '''Assignment''' | ||
− | | | + | || Here is an assignment. |
* Create models of the following molecules.<br/> '''3-bromo-1-butanol '''and '''2-amino-4-chloro-pentane'''<br/> | * Create models of the following molecules.<br/> '''3-bromo-1-butanol '''and '''2-amino-4-chloro-pentane'''<br/> | ||
Line 195: | Line 195: | ||
|- | |- | ||
− | | | + | || Cursor on Jmol panel with 2-chloro-1-propanol molecule. |
− | | | + | || Now lets go back to the Jmol Application window. |
Line 208: | Line 208: | ||
|- | |- | ||
− | | | + | || Right click the mouse button. |
− | | | + | || Exit the '''model kit '''menu, if it is open. |
Line 224: | Line 224: | ||
|- | |- | ||
− | | | + | || Scroll down the Pop-up menu |
− | | | + | || '''Pop-up '''menu offers many functions to modify the display of atoms. |
Line 231: | Line 231: | ||
|- | |- | ||
− | | | + | || Scroll down the Pop-up menu |
− | | | + | || Most of the functions in this menu are duplicated in the menu bar. |
|- | |- | ||
− | | | + | || Cursor on the Pop-up menu. |
− | | | + | || The items in the '''Pop-up '''menu are self-explanatory. |
Line 242: | Line 242: | ||
|- | |- | ||
− | | | + | || Click on the Jmol panel |
− | | | + | || Click on the '''Jmol '''panel to exit the '''Pop-up '''menu. |
|- | |- | ||
− | | | + | || Cursor on the “Jmol” logo. |
− | | | + | || The second way to access the '''Pop-up '''menu is to click on the '''Jmol '''logo. |
Line 256: | Line 256: | ||
|- | |- | ||
− | | | + | || Cursor on the 2-chloro-1-propanol molecule |
− | | | + | || Now let's see how to edit this molecule and convert it to '''Ethane '''molecule. |
|- | |- | ||
− | | | + | || Cursor on hydroxyl group, chlorine group, carbon and hydrogen atoms. |
− | | | + | || For this, we will delete the '''hydroxy '''group, the '''chlorine''' group, the '''carbon''' and two '''hydrogen''' atoms. |
|- | |- | ||
− | | | + | || Click on the modelkit menu. |
− | | | + | || Open the '''model kit '''menu. |
|- | |- | ||
− | | | + | || Click on the box against “delete atom”. |
Click on oxygen, chlorine and carbon. | Click on oxygen, chlorine and carbon. | ||
− | | | + | || Check the box against '''“delete atom”. ''' |
Line 280: | Line 280: | ||
|- | |- | ||
− | | | + | || Cursor on the panel |
− | | | + | || We have to add '''hydrogens '''to this molecule to create an '''ethane''' molecule. |
|- | |- | ||
− | | | + | || Click on “add hydrogens” option from the modelkit menu. |
− | | | + | || Click on '''“add hydrogens”''' option from the '''model kit''' menu. |
|- | |- | ||
− | | | + | || Cursor on the Jmol panel. |
− | | | + | || Two '''hydrogen '''atoms are added to the molecule. |
Line 295: | Line 295: | ||
|- | |- | ||
− | | | + | || Cursor on ethane molecule |
− | | | + | || Let's learn how to create '''alkenes '''and '''alkynes'''. |
|- | |- | ||
− | | | + | || Click on the modelkit menu. |
Click on the “double” option in the modelkit menu. | Click on the “double” option in the modelkit menu. | ||
− | | | + | || To introduce a double bond in the molecule, open the '''model kit''' menu. |
Line 309: | Line 309: | ||
|- | |- | ||
− | | | + | || Cursor on the bond between two carbon atoms. |
− | | | + | || Place the cursor on the bond between two carbon atoms in the '''Ethane''' molecule. |
|- | |- | ||
− | | | + | || Click on the bond. |
− | | | + | || Red colored rings appear around the '''carbon''' atoms. |
Click on the bond. | Click on the bond. | ||
Line 323: | Line 323: | ||
|- | |- | ||
− | | | + | || Cursor on jmol panel |
− | | | + | || Now lets convert Ethene to Ethyne, |
|- | |- | ||
− | | | + | || Click on the modelkit menu. |
Click on “triple” | Click on “triple” | ||
Line 335: | Line 335: | ||
Click on the bond. | Click on the bond. | ||
− | | | + | || Click on the '''modelkit '''menu and select “'''triple'''” option. |
Line 341: | Line 341: | ||
|- | |- | ||
− | | | + | || Cursor on the molecule |
− | | | + | || The double bond is converted to a triple bond. |
|- | |- | ||
− | | | + | || Point to the model. |
− | | | + | || This is the model of '''Ethyne.''' |
|- | |- | ||
− | | | + | || Cursor on jmol panel |
− | | | + | || Do the energy minimization to get the most stable conformation and save. |
|- | |- | ||
− | | | + | || '''Slide Number 6''' |
Summary | Summary | ||
− | | | + | || Let's summarize. |
Line 373: | Line 373: | ||
|- | |- | ||
− | | | + | || '''Slide Number 7''' |
Assignment | Assignment | ||
− | | | + | || For the Assignment |
Line 388: | Line 388: | ||
|- | |- | ||
− | | | + | || '''Slide Number 8''' |
'''Acknowledgement ''' | '''Acknowledgement ''' | ||
− | | | + | || Watch the video available at this URL. |
[http://spoken-tutorial.org/What http://spoken-tutorial.org/What]_is_a_Spoken_ Tutorial | [http://spoken-tutorial.org/What http://spoken-tutorial.org/What]_is_a_Spoken_ Tutorial | ||
Line 400: | Line 400: | ||
|- | |- | ||
− | | | + | || '''Slide Number 9''' |
'''Acknowledgement ''' | '''Acknowledgement ''' | ||
− | | | + | || The Spoken Tutorial Project Team: |
Conducts workshops using spoken tutorials | Conducts workshops using spoken tutorials | ||
Line 414: | Line 414: | ||
|- | |- | ||
− | | | + | || '''Slide number 10''' |
'''Acknowledgement ''' | '''Acknowledgement ''' | ||
− | | | + | || 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 | It is supported by the National Mission on Education through ICT, MHRD, Government of India | ||
Line 424: | Line 424: | ||
|- | |- | ||
− | | | + | || |
− | | | + | || This is Snehalatha from IIT Bombay signing off. Thank you for joining. |
|} | |} |
Latest revision as of 18:34, 19 March 2025
Title of script: Create and Edit Molecular models
Author: Snehalatha Kaliappan
Keyword: 3D models of chemical structures, molecular visualization, video tutorial.
- Outline:-
- Substitute the hydrogen in molecular model with a functional group.
- Add and delete bonds
- Add and delete atoms
- Pop-up-menu (Contextual menu)
|
|
---|---|
Slide Number 1
Title Slide |
Hello everyone.
Welcome to this tutorial on Create and Edit molecular models in Jmol Application. |
Slide Number 2
Learning Objectives |
In this tutorial, we will learn to,
|
Slide Number 3
Pr-requisites |
To follow this tutorial you should be familiar with,
For relevant tutorials, please visit our website. |
Slide Number 4
System Requirement |
To record this tutorial, I am using
|
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. |
Cursor on Jmol icon. | Jmol icon appears on the screen |
Click on the Jmol icon. | Click on the Jmol icon to open the Jmol application window. |
Cursor on Jmol panel.
|
Let's begin with the model of Propane, which we had created earlier. |
Cursor on Jmol panel
Click on “open a file” icon. |
To open the file, click on “Open a file” icon on the tool bar. |
Cursor on the dialog box | A dialog box appears on the screen. |
Cursor on the dialog box | Click on the folder where the required file is located. |
Click on the “desktop”.
Click on the “open” button |
My file is located on the Desktop.
|
Click on the “propane” file | Type the file name in the “File or URL” text box.
|
Cursor on the propane molecule. | The Model of Propane appears on screen. |
Cursor on the propane molecule. | We can substitute hydrogens in the Propane with functional groups like:
hydroxy, amino, halogens like fluro, chloro, bromo and others. |
Click on the Modelkit menu
|
I want to add a hydroxy group to the Propane molecule, to convert it to Propanol.
|
Cursor on hydrogen atom >> Click on the hydrogen atom. | Click on the hydrogen atom attached to the first carbon atom. |
Cursor on the Hydroxyl group
|
Observe that the hydrogen atom is replaced by hydroxy group. Oxygen atom is seen in red color here.
|
Cursor on the propanol molecule | Let's now try to convert 1-Propanol to 2-chloro-1-propanol. |
Click on the check box against chloro group. | Select Chloro group from the model kit menu.
|
Click on hydrogen atom | Click on the hydrogen atom attached to the second carbon atom. |
Cursor on the panel | We now have the model of 2-chloro-1-propanol. Chlorine is seen in green color.
|
Slide number 5
Assignment |
Here is an assignment.
To save the image in different file formats: Use “Save current view as an image” icon in the Tool bar.
|
Cursor on Jmol panel with 2-chloro-1-propanol molecule.
|
Now lets go back to the Jmol Application window.
|
Right click the mouse button. | Exit the model kit menu, if it is open.
|
Scroll down the Pop-up menu | Pop-up menu offers many functions to modify the display of atoms.
|
Scroll down the Pop-up menu | Most of the functions in this menu are duplicated in the menu bar. |
Cursor on the Pop-up menu. | The items in the Pop-up menu are self-explanatory.
|
Click on the Jmol panel | Click on the Jmol panel to exit the Pop-up menu. |
Cursor on the “Jmol” logo.
|
The second way to access the Pop-up menu is to click on the Jmol logo.
|
Cursor on the 2-chloro-1-propanol molecule | Now let's see how to edit this molecule and convert it to Ethane molecule. |
Cursor on hydroxyl group, chlorine group, carbon and hydrogen atoms. | For this, we will delete the hydroxy group, the chlorine group, the carbon and two hydrogen atoms. |
Click on the modelkit menu. | Open the model kit menu. |
Click on the box against “delete atom”.
|
Check the box against “delete atom”.
Oxygen, chlorine and the carbon atom. |
Cursor on the panel | We have to add hydrogens to this molecule to create an ethane molecule. |
Click on “add hydrogens” option from the modelkit menu. | Click on “add hydrogens” option from the model kit menu. |
Cursor on the Jmol panel. | Two hydrogen atoms are added to the molecule.
|
Cursor on ethane molecule | Let's learn how to create alkenes and alkynes. |
Click on the modelkit menu.
|
To introduce a double bond in the molecule, open the model kit menu.
|
Cursor on the bond between two carbon atoms. | Place the cursor on the bond between two carbon atoms in the Ethane molecule. |
Click on the bond. | Red colored rings appear around the carbon atoms.
Click on the bond. Observe that the single bond is converted to a double bond. We have a model of Ethene on the panel. |
Cursor on jmol panel | Now lets convert Ethene to Ethyne, |
Click on the modelkit menu.
Click on “triple”
Click on the bond. |
Click on the modelkit menu and select “triple” option.
|
Cursor on the molecule | The double bond is converted to a triple bond. |
Point to the model. | This is the model of Ethyne. |
Cursor on jmol panel | Do the energy minimization to get the most stable conformation and save. |
Slide Number 6
Summary |
Let's summarize.
|
Slide Number 7
Assignment |
For the Assignment
Your completed assignment should look as follows |
Slide Number 8
Acknowledgement |
Watch the video available at this URL.
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 9
Acknowledgement |
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 10
Acknowledgement |
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. |