Difference between revisions of "Jmol-Application/C2/Modify-Display-and-View/English"
Snehalathak (Talk | contribs) (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 …') |
Nancyvarkey (Talk | contribs) |
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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;"| | + | | 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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− | |||
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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 | + | 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 | + | | 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 | + | | 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'''”. | + | * 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 | + | | 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 | + | | 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.''' | + | | 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 | + | | 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 | + | | 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 | + | | 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 | + | | 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 | + | | 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;"| | + | | 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 | + | | 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. | + | | 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 | + | | 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 | + | | 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;"| | + | | 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;"| | + | | 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 | + | | 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 | + | | 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 | + | 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 | + | | 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 | + | | 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 | + | | 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;"| | + | | 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="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. | ||
|- | |- | ||
| 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 ''' | + | | 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 | + | | 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 | + | Scroll down to '''Style''', and select '''Boundbox''' from the options. |
− | Select | + | 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 | + | | 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 | + | 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;"| | + | | 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 | + | * 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.
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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
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Slide Number 3
Learning Objectives contd. |
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Slide Number 4
Pre-requisites |
To follow this tutorial you should
If not, watch the relevant tutorials available at the following link. |
Slide Number 5
System Requirement |
To record this tutorial, I am using
|
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
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To rotate the model, click on the “Rotate molecule” icon on the tool bar.
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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.
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Place the cursor on the model.
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To zoom-in and zoom-out, place the cursor on the panel.
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Cursor on the panel.
Cursor on the model on the Jmol panel.
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To move the model on the panel, place the cursor on the model.
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Cursor on the Jmol panel.
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For a detailed description, refer to the “Mouse Manual” provided in the Pop-up-menu.
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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.
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To automatically spin the molecule on the panel, open the Pop-up menu.
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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,
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Slide 6
Assignment
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As an assignment,
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.
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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.
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Click on the Display menu and select Bond.
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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.
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Open the Pop-up menu again and select Color.
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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.
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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.
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.
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Cursor on the panel | Save the image and exit the program. |
Slide Number 7
Summary |
Let's summarize what we have learnt.
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Slide Number 8
Summary |
We have also learnt to,
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Slide Number 9
Assignment |
For the Assignment
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. |