Difference between revisions of "Jmol-Application/C2/Modify-Display-and-View/English"

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(Created page with ''''Title of script''': '''Modify Display and View ''' '''Author: Snehalatha Kaliappan''' '''Keywords: Molecular models, 3-D models of chemical structures, video tutorial, Jmol …')
 
 
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| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| '''Slide Number 3'''
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| '''Slide Number 3'''
  
'''Learning Objectives'''
+
'''Learning Objectives''' contd.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We will also learn to,
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"|  
  
 
* Display the model with axes and bound box.
 
* Display the model with axes and bound box.
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* '''Jmol v'''ersion 12.2.2 and  
 
* '''Jmol v'''ersion 12.2.2 and  
 
* Java version 7
 
* Java version 7
 
 
  
 
|-
 
|-
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Cursor on 2-chloro-1-propanol molecule.
 
Cursor on 2-chloro-1-propanol molecule.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I have opened a new '''Jmol '''window with a model of '''2-chloro-1-propanol '''on the panel.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I have opened a new '''Jmol '''window with a model of '''2-chloro-1-propanol '''on the '''panel'''.
 
+
 
+
 
+
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"|  
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"|  
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can rotate and zoom the model to get a better perspective of the structure.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can rotate and zoom the model, to get a better perspective of the structure.
  
 
|-
 
|-
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Click on“Rotate molecule” icon on the tool bar.
 
Click on“Rotate molecule” icon on the tool bar.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To rotate the model, click on the “'''Rotate molecule'''” icon on the tool bar.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To rotate the model, click on the “'''Rotate molecule'''” icon on the tool bar.
 +
 +
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the molecule.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the molecule.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Click on the model. Observe that the cursor changes to a hand icon.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Click on the model.  
 +
 
 +
Observe that the cursor changes to a hand icon.
  
 
|-
 
|-
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Hold the shift button on the key board.
+
Hold the '''Shift''' button on the keyboard.
  
  
Double click and drag the mouse.
+
Double-click and drag the mouse.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the web page
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the web page
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| If you are connected to the Internet a web page with “'''Mouse manual'''” appears on screen.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| If you are connected to the Internet,
 +
 
 +
a web page with “'''Mouse manual'''” appears on screen.
  
 
|-
 
|-
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Scroll down , select “Spin” and click “On”.
 
Scroll down , select “Spin” and click “On”.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To automatically spin the molecule on the '''panel''', open the “Pop-up menu”.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To automatically spin the molecule on the '''panel''', open the Pop-up menu.
  
  
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the panel.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the panel.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can see that the model is spinning on the panel.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can see that the model is spinning on the '''panel'''.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Scroll down Pop-up-menu, select “Spin” and click “Off”.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Scroll down Pop-up-menu, select “Spin” and click “Off”.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To turn off the spin, open the Pop-up-menu and select “'''Spin'''” and click on “Off”.  
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To turn off the spin,  
 +
*open the Pop-up-menu again,
 +
*scroll down to “'''Spin'''” and  
 +
*click on “Off”.  
  
 
|-
 
|-
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* Create a model of '''2-chloro-3-Iodo-pentane'''.
 
* Create a model of '''2-chloro-3-Iodo-pentane'''.
 
* Explore the “'''Spin'''” option in the Pop-up menu.
 
* Explore the “'''Spin'''” option in the Pop-up menu.
* Change the direction of spin to “'''Z'''” axis and rate of spin to “'''40'''”.<br/> Hint: Use '''Set Z Rate '''option<br/> Your completed assignment should look as follows.
+
* Change the direction of spin to “'''Z'''” axis and rate of spin to “'''40'''”.
 
+
* Hint: Use '''Set Z Rate '''option  
  
 +
Your completed assignment should look as follows.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Let's now learn about the '''View''' menu.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Let us now learn about the '''View''' menu.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the “View” icon.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the “View” icon.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| “'''View'''” menu on the menu bar has options to view the model from various angles.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| “'''View'''” menu on the menu bar, has options to view the model from various angles.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the 'View' menu.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on the 'View' menu.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Click on the 'View' menu.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Click on the ''''View'''' menu.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on “Top”  
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on “Top”  
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| For example, I will choose “'''Top'''” view. Click on the ''''Top'''' option.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| For example, I will choose “'''Top'''” view.  
 +
 
 +
Click on the ''''Top'''' option.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can save this view as an image in various formats.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can save this view as an image in various file formats.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on JPEG
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on JPEG
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I select will '''JPEG''' format.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I will select  '''JPEG''' format.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Select Desktop.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Select Desktop.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I want it on '''Desktop.''' So select ''''Desktop' '''and click on 'open' button.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I want it on '''Desktop.'''  
 +
 
 +
Select '''Desktop''' and click on '''Open''' button.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Go to “Select” and click “All” .
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Go to “Select” and click “All” .
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Go to “'''Select'''” and click '''All'''to modify the whole molecule.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Go to “'''Select'''” and click on '''All''' to modify the whole molecule.
  
 
|-
 
|-
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Scroll down.  
 
Scroll down.  
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu again scroll down to ''''Style'''' and select ''''Scheme'''' from the sub-menu.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu again.
 +
 
 +
Scroll down to ''''Style'''' and select ''''Scheme'''' from the sub-menu.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Select first “Style” go to “Scheme” >>click on “CPK Spacefill”.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Select first “Style” go to “Scheme” >>click on “CPK Spacefill”.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| And click on '''CPK Spacefill'''.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| And click on '''CPK Spacefill''' option.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| The model on the screen is converted to '''CPK Spacefill'''model.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| The model on the screen is converted to '''CPK Spacefill''' model.
  
 
|-
 
|-
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Open Pop-up-menu, >>“Select” click on “All”.  
 
Open Pop-up-menu, >>“Select” click on “All”.  
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Let's follow the same steps as before.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Let's follow the same steps as before.
 
 
 
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Open the Pop-up-menu>> “style”, >>“scheme”>> click on “ball and stick”.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Open the Pop-up-menu>> “style”, >>“scheme”>> click on “ball and stick”.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu scroll down to “'''Style'''”, then to “'''Scheme'''and click on '''Ball and Stick'''.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu.
 +
 
 +
Scroll down to “'''Style'''”, select '''Scheme''' and click on '''Ball and Stick''' option.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the model.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the model.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Size of the bonds can be changed using Pop-up menu, as well as '''Display'''menu on the menu bar.  
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| The size of the bonds can be changed using Pop-up menu, as well as '''Display''' menu on the menu bar.  
  
 
|-
 
|-
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Scroll down the display menu.  
 
Scroll down the display menu.  
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Click on the '''Display'''menu and select '''Bond'''.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Click on the '''Display''' menu and select '''Bond'''.
  
  
The sub-menu has options of bonds in different size diameter in '''angstrom units. '''
+
The sub-menu has options of bonds in different size diameter, in '''angstrom units. '''
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on “0.01 A”.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on “0.01 A”.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| For example, I will select “'''0.10 A'''” and click on it.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| For example, I will select “'''0.1 Angstrom'''” and click on it.
  
 
|-
 
|-
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|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can also change the color of atoms and bonds.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We can also change the colour of atoms and bonds.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on 2-chloro-propanol
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on 2-chloro-propanol
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I want to change the color of all the '''Carbon''' atoms in the model to yellow.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| I want to change the colour of all the '''Carbon''' atoms in the model, to yellow.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Right-click, go to “select”.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Right-click, go to “select”.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the “Pop-up” menu and go to '''Select'''.  
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To do this, open the Pop-up menu and go to '''Select'''.  
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Scroll down to “element” >> click on “carbon”.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Scroll down to “element” >> click on “carbon”.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Now, scroll down to '''Element'''and click on '''C-carbon'''.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Scroll down to '''Element''' and click on '''C-carbon'''.
  
 
|-
 
|-
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Right-click>>select “Color”, select “Atoms”.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Right-click>>select “Color”, select '''Atoms'''.
  
  
  
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the “Pop-up” menu again and select '''Color'''.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up menu again and select '''Color'''.
  
  
Then select '''Atoms'''and click on '''Yellow'''from the options.  
+
Then select '''Atoms''' and click on '''Yellow''' from the options.  
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the bond
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the bond
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| All the carbons in the model now appear in yellow colour.  
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| All the '''Carbons''' in the model, now appear yellow in colour.  
  
 
|-
 
|-
Line 377: Line 387:
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Open the Pop-up-menu go to 'Select' and click on 'All'.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Open the Pop-up-menu go to 'Select' and click on 'All'.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu and select ''''All''''
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu and select '''All'''
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Open the Pop-up-menu>> select “Color”>> select “Bonds” from the sub-menu.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Open the Pop-up-menu>> select “Color”>> select “Bonds” from the sub-menu.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu again, and scroll down to '''Color'''and select '''Bonds'''from the sub-menu.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up-menu again.
 +
 
 +
Scroll down to '''Color''' and select '''Bonds''' from the sub-menu.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on 'Blue' option.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Click on 'Blue' option.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Click on '''Blue'''” from the option.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Scroll down and click on '''Blue''' option.
  
 
|-
 
|-
Line 399: Line 411:
  
 
scroll down the sub-menu and select “axes” .
 
scroll down the sub-menu and select “axes” .
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up menu and select '''Style'''.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| Open the Pop-up menu and select '''Style'''.
 
+
 
+
Scroll down to “'''Axes'''” option.
+
 
+
  
  
 +
Scroll down to '''Axes''' option.
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the sub-menu
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the sub-menu
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| From the sub-menu select '''Pixel Width '''among the options given.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| From the sub-menu select '''Pixel Width '''.
  
 
|-
 
|-
Line 417: Line 426:
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We have the model on screen with all the axes.  
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We now have the model on screen with all the axes.  
  
 
|-
 
|-
Line 425: Line 434:
  
 
Click on “3 px”
 
Click on “3 px”
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To draw a bound box around the image, open the pop-up-menu.
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| To draw a bound box around the image, open the Pop-up-menu.
  
  
Scroll down to '''Style''', and select '''Boundbox'''from the options.  
+
Scroll down to '''Style''', and select '''Boundbox''' from the options.  
  
Select ''''Pixel width'''' and click on the Pixel Width “'''3 px'''.  
+
Select '''Pixel width''' and click on the pixel width '''3 px'''.  
  
 
|-
 
|-
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel.
 
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:none;padding:0.097cm;"| Cursor on the panel.
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| On the screen we have the model of 2'''-chloro-1-propanol''' in '''Boundbox'''with “A'''xes”.'''
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| On the screen we have the model of '''2-chloro-1-propanol''' in '''Boundbox''' with '''Axes.'''
  
  
To view the '''Boundbox'''clearly, we may have to zoom-in or zoom out.
+
To view the '''Boundbox''' clearly, we may have to zoom-in or zoom out.
  
 
|-
 
|-
Line 456: Line 465:
 
* Change the style of the display.  
 
* Change the style of the display.  
 
* Change the color of atoms and bonds.
 
* Change the color of atoms and bonds.
 
 
  
 
|-
 
|-
Line 463: Line 470:
  
 
'''Summary'''
 
'''Summary'''
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| W We have also learnt to,
+
| style="background-color:#ffffff;border-top:none;border-bottom:1pt solid #000000;border-left:1pt solid #000000;border-right:1pt solid #000000;padding:0.097cm;"| We have also learnt to,
  
 
* Display the image with axes and boundbox and
 
* Display the image with axes and boundbox and
 
* Save the image in different file formats.
 
* Save the image in different file formats.
 
 
  
 
|-
 
|-
Line 479: Line 484:
 
* Change the display to “Sticks”.
 
* Change the display to “Sticks”.
 
* Change the color of all the hydrogens in the model to “Green”.
 
* Change the color of all the hydrogens in the model to “Green”.
* Change the color of all the bonds to “Yellow.<br/> Your completed assignment should look as follows.
+
* Change the color of all the bonds to yellow.
 
+
  
 +
Your completed assignment should look as follows.
  
 
|-
 
|-

Latest revision as of 13:59, 30 January 2014

Title of script: Modify Display and View

Author: Snehalatha Kaliappan

Keywords: Molecular models, 3-D models of chemical structures, video tutorial, Jmol tutorial

Outline:-

  • Rotate, zoom, move and spin the model
  • Modify the view
  • Change the style of the display.
  • Change the size and color of atoms and bonds.
  • Axes and bound box
  • Save the image in various file formats.


Visual Cue
Narration
Slide Number 1

Title Slide

Welcome to this tutorial on Modify Display and View in Jmol Application.
Slide Number 2

Learning Objectives

In this tutorial, we will learn to
  • Rotate, zoom, move and spin the model on screen
  • Modify the view
  • Change the style of the display.
  • Change the size and color of atoms and bonds


Slide Number 3

Learning Objectives contd.

  • Display the model with axes and bound box.
  • Save the image in various file formats.


Slide Number 4

Pre-requisites

To follow this tutorial you should
  • be familiar with Jmol Application Window and
  • know to create and edit models using modelkit function.

If not, watch the relevant tutorials available at the following link.

Slide Number 5

System Requirement

To record this tutorial, I am using
  • Ubuntu OS version. 12.04
  • Jmol version 12.2.2 and
  • Java version 7
Cursor on Jmol panel.

Cursor on 2-chloro-1-propanol molecule.

I have opened a new Jmol window with a model of 2-chloro-1-propanol on the panel.
We can rotate and zoom the model, to get a better perspective of the structure.
Cursor on 2-chloro-1-propanol molecule


Click on“Rotate molecule” icon on the tool bar.

To rotate the model, click on the “Rotate molecule” icon on the tool bar.


Click on the molecule. Click on the model.

Observe that the cursor changes to a hand icon.

Drag the mouse. Holding down the mouse button, drag the mouse on the Jmol panel.


You can see the model is rotating.

Place the cursor on the model.


Move the mouse wheel up and down.

To zoom-in and zoom-out, place the cursor on the panel.


Move the mouse wheel upwards to zoom-out, downwards to zoom-in.

Cursor on the panel.

Cursor on the model on the Jmol panel.


Hold the shift key on the key board.


To move the model on the panel, place the cursor on the model.


Hold the Shift button on the keyboard.


Double-click and drag the mouse.

Cursor on the Jmol panel.


Open the Pop-up-menu >>scroll down to “About Jmol 12.2.2” .


Cursor on the “Mouse Manual”


Click on the “MouseManual”

For a detailed description, refer to the “Mouse Manual” provided in the Pop-up-menu.


Open the Pop-up-menu and scroll down to “About Jmol 12.2.2” .


Scroll down to the “Mouse Manual” and click on it.

Cursor on the web page If you are connected to the Internet,

a web page with “Mouse manual” appears on screen.

Click on the panel. Click on the panel to exit the Pop-up menu.
Right click on the mouse.


Scroll down , select “Spin” and click “On”.

To automatically spin the molecule on the panel, open the Pop-up menu.


Scroll down, select “Spin” and then click on the option “On”.

Click on the panel. We can see that the model is spinning on the panel.
Scroll down Pop-up-menu, select “Spin” and click “Off”. To turn off the spin,
  • open the Pop-up-menu again,
  • scroll down to “Spin” and
  • click on “Off”.
Slide 6

Assignment


As an assignment,
  • Create a model of 2-chloro-3-Iodo-pentane.
  • Explore the “Spin” option in the Pop-up menu.
  • Change the direction of spin to “Z” axis and rate of spin to “40”.
  • Hint: Use Set Z Rate option

Your completed assignment should look as follows.

Cursor on the panel Let us now learn about the View menu.
Click on the “View” icon. View” menu on the menu bar, has options to view the model from various angles.
Click on the 'View' menu. Click on the 'View' menu.
Scroll down the menu. Scroll down the menu and choose from the various options provided.
Click on “Top” For example, I will choose “Top” view.

Click on the 'Top' option.

Cursor on the panel The image on the screen shows how the molecule looks from the top.
Cursor on the panel We can save this view as an image in various file formats.
Click on the “Save current view as an image” icon. Click on the “Save current view as an image” icon.
Cursor on the dialog box. A “Save” dialog box appears.
Scroll down “Image type” To select the file format, scroll down the options on the “Image Type”.
Click on JPEG I will select JPEG format.
Cursor on the dialog box. Open the folder in which you want the file to be saved.
Select Desktop. I want it on Desktop.

Select Desktop and click on Open button.

Cursor on the “file name” In the File Name text-box, type “2-chloro-1-propanol”
Click on jpg Go to “Files of Type” and select jpg.
Click on Save button. Click on Save button.
Cursor on the Jmol panel The image will now be saved in JPEG format on the Desktop.

<PAUSE>

Cursor on the Jmol panel. The style of display of molecular model can be modified in various ways.


Size and color of atoms and bonds in this molecule can be changed, if required.

Scroll down the Pop-up-menu We have an option to modify all the atoms in the molecule or a select set.
Cursor on the Jmol panel. The default display of the model on the panel is of ball and stick.
Open Pop-up-menu To change the display into “CPK Space fill”, open the Pop-up-menu.
Go to “Select” and click “All” . Go to “Select” and click on All to modify the whole molecule.
Open the Pop-up-menu.

Scroll down.

Open the Pop-up-menu again.

Scroll down to 'Style' and select 'Scheme' from the sub-menu.

Select first “Style” go to “Scheme” >>click on “CPK Spacefill”. And click on CPK Spacefill option.
Cursor on the panel The model on the screen is converted to CPK Spacefill model.
Let us now convert it back to ball and stick model.
Cursor on the panel.

Open Pop-up-menu, >>“Select” click on “All”.

Let's follow the same steps as before.
Open the Pop-up-menu>> “style”, >>“scheme”>> click on “ball and stick”. Open the Pop-up-menu.

Scroll down to “Style”, select Scheme and click on Ball and Stick option.

Cursor on the model. The model is now converted to ball and stick style display.
Cursor on the model. The size of the bonds can be changed using Pop-up menu, as well as Display menu on the menu bar.
Open display menu in the menu bar.


Scroll down the display menu.

Click on the Display menu and select Bond.


The sub-menu has options of bonds in different size diameter, in angstrom units.

Click on “0.01 A”. For example, I will select “0.1 Angstrom” and click on it.
Cursor on the panel. Note the change in the thickness of the bonds.
Cursor on the panel. We can also change the colour of atoms and bonds.
Cursor on 2-chloro-propanol I want to change the colour of all the Carbon atoms in the model, to yellow.
Right-click, go to “select”. To do this, open the Pop-up menu and go to Select.
Scroll down to “element” >> click on “carbon”. Scroll down to Element and click on C-carbon.
Right-click>>select “Color”, select Atoms.


Open the Pop-up menu again and select Color.


Then select Atoms and click on Yellow from the options.

Cursor on the bond All the Carbons in the model, now appear yellow in colour.
Cursor on the Panel Let's see how to change the color of bonds.
Open the Pop-up-menu go to 'Select' and click on 'All'. Open the Pop-up-menu and select All
Open the Pop-up-menu>> select “Color”>> select “Bonds” from the sub-menu. Open the Pop-up-menu again.

Scroll down to Color and select Bonds from the sub-menu.

Click on 'Blue' option. Scroll down and click on Blue option.
Cursor on the panel All the bonds are now blue in color.
Cursor on the panel We can display the image with “X,Y and Z” axes and within a bounding box.
Right-click on the panel, select “style”

scroll down the sub-menu and select “axes” .

Open the Pop-up menu and select Style.


Scroll down to Axes option.

Cursor on the sub-menu From the sub-menu select Pixel Width .
Click on 3 pixel. I will choose 3 px. as pixel width.
Cursor on the panel. We now have the model on screen with all the axes.
Right-click on the panel,>> select “Style” .

scroll down the sub-menu >> select “Boundbox” .

Click on “3 px”

To draw a bound box around the image, open the Pop-up-menu.


Scroll down to Style, and select Boundbox from the options.

Select Pixel width and click on the pixel width 3 px.

Cursor on the panel. On the screen we have the model of 2-chloro-1-propanol in Boundbox with Axes.


To view the Boundbox clearly, we may have to zoom-in or zoom out.

Cursor on the panel Save the image and exit the program.
Slide Number 7

Summary

Let's summarize what we have learnt.


In this tutorial,we have learnt to

  • Rotate, zoom, move and spin the model on screen.
  • View the model from various angles.
  • Change the style of the display.
  • Change the color of atoms and bonds.
Slide Number 8

Summary

We have also learnt to,
  • Display the image with axes and boundbox and
  • Save the image in different file formats.
Slide Number 9

Assignment

For the Assignment
  • Create a model of 3-amino-1-propanol.
  • Change the display to “Sticks”.
  • Change the color of all the hydrogens in the model to “Green”.
  • Change the color of all the bonds to yellow.

Your completed assignment should look as follows.

Slide Number 10

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 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 11 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.

Contributors and Content Editors

Nancyvarkey, Snehalathak