Difference between revisions of "JChemPaint/C3/Properties-of-JChemPaint/English-timed"
From Script | Spoken-Tutorial
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| * '''Enter an element symbol via keyboard''' and | | * '''Enter an element symbol via keyboard''' and | ||
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− | | 01: | + | | 01:44 |
| * '''Select new drawing symbol from periodic table'''. | | * '''Select new drawing symbol from periodic table'''. | ||
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− | | 01: | + | | 01:48 |
| Click on '''Select new drawing symbol from periodic table''' button. | | Click on '''Select new drawing symbol from periodic table''' button. | ||
|- | |- | ||
− | | 01: | + | | 01:55 |
| '''Choose an element''' window opens with an inbuilt '''Periodic Table'''. | | '''Choose an element''' window opens with an inbuilt '''Periodic Table'''. | ||
|- | |- | ||
− | | | + | | 02:01 |
| Here we can see a box with the text '''Periodic Table of elements'''. | | Here we can see a box with the text '''Periodic Table of elements'''. | ||
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− | | | + | | 02:06 |
| This is an information box. | | This is an information box. | ||
|- | |- | ||
− | | | + | | 02:11 |
| The information box displays the details of chosen '''Element'''. | | The information box displays the details of chosen '''Element'''. | ||
|- | |- | ||
− | | 02: | + | | 02:16 |
| For eg: I will place the cursor on '''Oxygen'''. | | For eg: I will place the cursor on '''Oxygen'''. | ||
|- | |- | ||
− | | 02: | + | | 02:21 |
| Details about '''Oxygen''' are displayed in the information box. | | Details about '''Oxygen''' are displayed in the information box. | ||
|- | |- | ||
− | | 02: | + | | 02:26 |
| Likewise, we can see the details of various '''Elements''' in the information box. | | Likewise, we can see the details of various '''Elements''' in the information box. | ||
|- | |- | ||
− | | 02: | + | | 02:34 |
| Click on '''Close''' to close the window. | | Click on '''Close''' to close the window. | ||
|- | |- | ||
− | | 02: | + | | 02:38 |
| Click on '''Enter an element symbol via keyboard''' button. | | Click on '''Enter an element symbol via keyboard''' button. | ||
|- | |- | ||
− | | 02: | + | | 02:42 |
| Click on the '''Panel'''. | | Click on the '''Panel'''. | ||
|- | |- | ||
− | | 02: | + | | 02:45 |
| '''Enter element''' text box opens. | | '''Enter element''' text box opens. | ||
|- | |- | ||
− | | 02: | + | | 02:48 |
| We can type the symbol of the '''Element''' in the text box. | | We can type the symbol of the '''Element''' in the text box. | ||
|- | |- | ||
− | | 02: | + | | 02:53 |
| For example: I will type '''Xe''' for '''Xenon'''. | | For example: I will type '''Xe''' for '''Xenon'''. | ||
|- | |- | ||
− | | 02: | + | | 02:58 |
| Click on '''OK''' button. | | Click on '''OK''' button. | ||
|- | |- | ||
− | | | + | | 03:02 |
| The symbol of '''Xenon(Xe)''' is displayed on the '''Panel'''. | | The symbol of '''Xenon(Xe)''' is displayed on the '''Panel'''. | ||
|- | |- | ||
− | | | + | | 03:08 |
| Now, let's draw the structure of '''Xenondifluoride (XeF2)'''. | | Now, let's draw the structure of '''Xenondifluoride (XeF2)'''. | ||
|- | |- | ||
− | | | + | | 03:14 |
| Go to '''Edit''' menu, navigate to '''Preferences''' and click on it. | | Go to '''Edit''' menu, navigate to '''Preferences''' and click on it. | ||
|- | |- | ||
− | | | + | | 03:20 |
| '''Preferences''' window opens. | | '''Preferences''' window opens. | ||
|- | |- | ||
− | | | + | | 03:23 |
| Uncheck '''Show Implicit hydrogens''' check box if it is checked. | | Uncheck '''Show Implicit hydrogens''' check box if it is checked. | ||
|- | |- | ||
− | | 03: | + | | 03:29 |
| Click '''OK''' to close the '''Preferences''' window. | | Click '''OK''' to close the '''Preferences''' window. | ||
|- | |- | ||
− | | 03: | + | | 03:33 |
| Click on '''Fluorine(F)''' button and then click on '''Single bond''' button. | | Click on '''Fluorine(F)''' button and then click on '''Single bond''' button. | ||
|- | |- | ||
− | | 03: | + | | 03:39 |
| Move the cursor on '''Xenon''' atom. | | Move the cursor on '''Xenon''' atom. | ||
|- | |- | ||
− | | 03: | + | | 03:42 |
| Notice, a small blue circle appears on it. | | Notice, a small blue circle appears on it. | ||
|- | |- | ||
− | | 03: | + | | 03:46 |
| Click and hold the left mouse button. | | Click and hold the left mouse button. | ||
|- | |- | ||
− | | 03: | + | | 03:50 |
| And then drag to draw two '''Xenon-Fluoride''' bonds. | | And then drag to draw two '''Xenon-Fluoride''' bonds. | ||
|- | |- | ||
− | | 03: | + | | 03:56 |
| Now I will explain about '''Xenon's Atom Popup Menu'''. | | Now I will explain about '''Xenon's Atom Popup Menu'''. | ||
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− | | | + | | 04:02 |
| Move the cursor over to '''Xenon''' atom, right-click on it. | | Move the cursor over to '''Xenon''' atom, right-click on it. | ||
|- | |- | ||
− | | | + | | 04:07 |
| '''Xenon's Atom Popup Menu''' opens. | | '''Xenon's Atom Popup Menu''' opens. | ||
|- | |- | ||
− | | | + | | 04:11 |
| Here, I will explain about '''Isotopes, Change Element''' and '''Properties''' options. | | Here, I will explain about '''Isotopes, Change Element''' and '''Properties''' options. | ||
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− | | | + | | 04:18 |
| Let's first move to '''Isotopes'''. | | Let's first move to '''Isotopes'''. | ||
|- | |- | ||
− | | | + | | 04:21 |
| A submenu opens with a list of '''Isotopes of Xenon'''. | | A submenu opens with a list of '''Isotopes of Xenon'''. | ||
|- | |- | ||
− | | | + | | 04:26 |
| Next, I will move the cursor to '''Change Element'''. | | Next, I will move the cursor to '''Change Element'''. | ||
|- | |- | ||
− | | | + | | 04:30 |
| A submenu opens with various categories of '''elements'''. | | A submenu opens with various categories of '''elements'''. | ||
|- | |- | ||
− | | 04: | + | | 04:36 |
| I will scroll down to various categories. | | I will scroll down to various categories. | ||
|- | |- | ||
− | | 04: | + | | 04:40 |
| I will choose '''Alkali Earth Metals'''. | | I will choose '''Alkali Earth Metals'''. | ||
|- | |- | ||
− | | 04: | + | | 04:44 |
| '''Alkali Earth Metals''' list opens. | | '''Alkali Earth Metals''' list opens. | ||
|- | |- | ||
− | | 04: | + | | 04:48 |
| Select '''Calcium(Ca)''' from the list. | | Select '''Calcium(Ca)''' from the list. | ||
|- | |- | ||
− | | 04: | + | | 04:52 |
| We see that '''element Xenon''' is replaced by '''Calcium'''. | | We see that '''element Xenon''' is replaced by '''Calcium'''. | ||
|- | |- | ||
− | | 04: | + | | 04:57 |
| Now, we move on to '''Molecular Properties''' option. | | Now, we move on to '''Molecular Properties''' option. | ||
|- | |- | ||
− | | | + | | 05:01 |
| Right click on '''Calcium'''. | | Right click on '''Calcium'''. | ||
|- | |- | ||
− | | | + | | 05:04 |
| '''Calcium's Atom Popup Menu''' opens. | | '''Calcium's Atom Popup Menu''' opens. | ||
|- | |- | ||
− | | | + | | 05:08 |
| Click on '''Molecular Properties''' option. | | Click on '''Molecular Properties''' option. | ||
|- | |- | ||
− | | | + | | 05:11 |
| '''Properties''' text box opens. | | '''Properties''' text box opens. | ||
|- | |- | ||
− | | | + | | 05:14 |
| Type the name of the compound as '''Calcium Fluoride''' and click on '''OK''' button. | | Type the name of the compound as '''Calcium Fluoride''' and click on '''OK''' button. | ||
|- | |- | ||
− | | | + | | 05:20 |
| Name of the compound is displayed below the structure. | | Name of the compound is displayed below the structure. | ||
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− | | | + | | 05:24 |
| Let us save the file now. | | Let us save the file now. | ||
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− | | | + | | 05:26 |
| Click on '''Save''' button on the tool bar. | | Click on '''Save''' button on the tool bar. | ||
|- | |- | ||
− | | | + | | 05:30 |
| '''Save''' dialog box opens. | | '''Save''' dialog box opens. | ||
|- | |- | ||
− | | | + | | 05:32 |
| Type the file name as '''Calcium-fluoride'''. | | Type the file name as '''Calcium-fluoride'''. | ||
|- | |- | ||
− | | 05: | + | | 05:36 |
| Click on '''Save''' button. | | Click on '''Save''' button. | ||
|- | |- | ||
− | | 05: | + | | 05:39 |
| Next, we will learn how to create a reaction. | | Next, we will learn how to create a reaction. | ||
|- | |- | ||
− | | 05: | + | | 05:42 |
| To draw a reaction, we need to draw the required structures. | | To draw a reaction, we need to draw the required structures. | ||
|- | |- | ||
− | | 05: | + | | 05:48 |
| I have opened a new window with required structures. | | I have opened a new window with required structures. | ||
|- | |- | ||
− | | 05: | + | | 05:52 |
| Here the reactants are '''Propene''' and '''Chlorine''' molecules and product is '''1,2-dicholoropropane'''. | | Here the reactants are '''Propene''' and '''Chlorine''' molecules and product is '''1,2-dicholoropropane'''. | ||
|- | |- | ||
− | | | + | | 06:01 |
| On the left side tool bar, click on the '''Reaction arrow''' button. | | On the left side tool bar, click on the '''Reaction arrow''' button. | ||
|- | |- | ||
− | | | + | | 06:06 |
| Click between reactants and products. | | Click between reactants and products. | ||
|- | |- | ||
− | | | + | | 06:10 |
| The reaction is created. | | The reaction is created. | ||
|- | |- | ||
− | | | + | | 06:13 |
| We will now allign the structures properly in the reaction. | | We will now allign the structures properly in the reaction. | ||
|- | |- | ||
− | | | + | | 06:18 |
− | | Click on '''Relayout the structures''' button on the top tool bar. | + | | Click on '''Relayout the structures''' button on the top tool bar.Structures align properly |
|- | |- | ||
− | | | + | | 06:27 |
| I will now discuss about how to set up an '''R group query'''. | | I will now discuss about how to set up an '''R group query'''. | ||
|- | |- | ||
− | | | + | | 06:31 |
| What is an '''R-group query'''? | | What is an '''R-group query'''? | ||
|- | |- | ||
− | | | + | | 06:35 |
| * An '''R-group query''' involves '''Root structure''' and '''substituents'''. | | * An '''R-group query''' involves '''Root structure''' and '''substituents'''. | ||
|- | |- | ||
− | | | + | | 06:41 |
| * It represents substitution on the same '''root structure'''. | | * It represents substitution on the same '''root structure'''. | ||
|- | |- | ||
− | | 06: | + | | 06:45 |
| * It can involve derivatives which differ in one or more substituents. | | * It can involve derivatives which differ in one or more substituents. | ||
|- | |- | ||
− | | 06: | + | | 06:53 |
| Click on '''Create a new file''' icon to open a new window. | | Click on '''Create a new file''' icon to open a new window. | ||
|- | |- | ||
− | | | + | | 07:01 |
| Click on '''Draw a chain''' button. | | Click on '''Draw a chain''' button. | ||
|- | |- | ||
− | | | + | | 07:03 |
| Click on the '''Panel''' to draw a '''Carbon''' chain with three '''Carbon''' atoms. | | Click on the '''Panel''' to draw a '''Carbon''' chain with three '''Carbon''' atoms. | ||
|- | |- | ||
− | | | + | | 07:09 |
| Let's create a substituent that has to be attached to the '''Carbon''' chain. | | Let's create a substituent that has to be attached to the '''Carbon''' chain. | ||
|- | |- | ||
− | | | + | | 07:14 |
| For example, '''Benzene'''. | | For example, '''Benzene'''. | ||
|- | |- | ||
− | | | + | | 07:17 |
| Click on '''Benzene''' ring on right side tool bar. | | Click on '''Benzene''' ring on right side tool bar. | ||
|- | |- | ||
− | | | + | | 07:22 |
| Click on the '''Panel'''. | | Click on the '''Panel'''. | ||
|- | |- | ||
− | | | + | | 07:24 |
| Let's label the terminal '''Carbon''' atom as '''R1''' in the '''Carbon''' chain. | | Let's label the terminal '''Carbon''' atom as '''R1''' in the '''Carbon''' chain. | ||
|- | |- | ||
− | | | + | | 07:31 |
| Right click on terminal '''Carbon''' atom. | | Right click on terminal '''Carbon''' atom. | ||
|- | |- | ||
− | | | + | | 07:35 |
| '''Atom Pop menu''' opens. | | '''Atom Pop menu''' opens. | ||
|- | |- | ||
− | | | + | | 07:38 |
| Scroll down to '''Pseudo Atoms'''. | | Scroll down to '''Pseudo Atoms'''. | ||
|- | |- | ||
− | | | + | | 07:42 |
| A submenu opens; select '''R1'''. | | A submenu opens; select '''R1'''. | ||
|- | |- | ||
− | | | + | | 07:45 |
| Now let's define the '''Carbon''' chain as '''root structure'''. | | Now let's define the '''Carbon''' chain as '''root structure'''. | ||
|- | |- | ||
− | | | + | | 07:50 |
| Click on '''Selection''' button. | | Click on '''Selection''' button. | ||
|- | |- | ||
− | | | + | | 07:53 |
| Select the '''Root structure''' by dragging over it. | | Select the '''Root structure''' by dragging over it. | ||
|- | |- | ||
− | | 07: | + | | 07:57 |
| Go to '''R-groups''' menu and select '''Define as Root Structure'''. | | Go to '''R-groups''' menu and select '''Define as Root Structure'''. | ||
|- | |- | ||
− | | | + | | 08:04 |
| The substituent structure will be added as '''Not in R-Group'''. | | The substituent structure will be added as '''Not in R-Group'''. | ||
|- | |- | ||
− | | | + | | 08:10 |
| Click on '''Selection''' button; | | Click on '''Selection''' button; | ||
|- | |- | ||
− | | | + | | 08:13 |
| select the '''Substituent'''. | | select the '''Substituent'''. | ||
|- | |- | ||
− | | | + | | 08:16 |
| Go to '''R-groups''' menu and select '''Define as Substituent'''. | | Go to '''R-groups''' menu and select '''Define as Substituent'''. | ||
|- | |- | ||
− | | | + | | 08:22 |
| An input box opens. | | An input box opens. | ||
|- | |- | ||
− | | | + | | 08:24 |
| Here, enter an '''R-group''' number as “1” and click on '''OK''' button. | | Here, enter an '''R-group''' number as “1” and click on '''OK''' button. | ||
|- | |- | ||
− | | | + | | 08:30 |
| The substituent will be numbered as '''R1'''. | | The substituent will be numbered as '''R1'''. | ||
|- | |- | ||
− | | | + | | 08:34 |
− | | On the '''Root structure,''' the substituent '''R1''' will be marked | + | | On the '''Root structure,''' the substituent '''R1''' will be marked with an asterisk(*) |
|- | |- | ||
− | | | + | | 08:41 |
| The attaching '''Carbon''' atom of the substituent '''R1''' will also be marked with an asterisk(*). | | The attaching '''Carbon''' atom of the substituent '''R1''' will also be marked with an asterisk(*). | ||
|- | |- | ||
− | | | + | | 08:49 |
| Click on the '''Selection''' button, select '''Root Structure''' and '''substituent(R1)'''. | | Click on the '''Selection''' button, select '''Root Structure''' and '''substituent(R1)'''. | ||
|- | |- | ||
− | | | + | | 08:56 |
| Go to '''R-groups''' menu, select '''General Possible configurations(sdf)'''. | | Go to '''R-groups''' menu, select '''General Possible configurations(sdf)'''. | ||
|- | |- | ||
− | | | + | | 09:03 |
| '''Save''' dialog box opens. | | '''Save''' dialog box opens. | ||
|- | |- | ||
− | | | + | | 09:06 |
| Type the file name as '''r-group''', select the location as '''Desktop'''. | | Type the file name as '''r-group''', select the location as '''Desktop'''. | ||
|- | |- | ||
− | | | + | | 09:12 |
| Click on '''Save''' button. | | Click on '''Save''' button. | ||
|- | |- | ||
− | | | + | | 09:15 |
| Click on '''Open''' icon on the tool bar. | | Click on '''Open''' icon on the tool bar. | ||
|- | |- | ||
− | | | + | | 09:19 |
| '''Open''' dialogue box opens. | | '''Open''' dialogue box opens. | ||
|- | |- | ||
− | | | + | | 09:22 |
| In the “Files of Type”, select “All Files” | | In the “Files of Type”, select “All Files” | ||
|- | |- | ||
− | | | + | | 09:27 |
| Click on '''Desktop'''. | | Click on '''Desktop'''. | ||
|- | |- | ||
− | | | + | | 09:29 |
| Click '''Open'''; then select the saved '''r-group''' file. | | Click '''Open'''; then select the saved '''r-group''' file. | ||
|- | |- | ||
− | | | + | | 09:34 |
| Click on “Open” button. | | Click on “Open” button. | ||
|- | |- | ||
− | | | + | | 09:37 |
| A message pops up; click '''OK'''. | | A message pops up; click '''OK'''. | ||
|- | |- | ||
− | | | + | | 09:41 |
| A new file opens with '''r-group query''' structure. | | A new file opens with '''r-group query''' structure. | ||
|- | |- | ||
− | | | + | | 09:46 |
| To allign the structure properly, click on '''Relayout the structure''' button on the tool bar. | | To allign the structure properly, click on '''Relayout the structure''' button on the tool bar. | ||
|- | |- | ||
− | | | + | | 09:54 |
| The structure shown is '''root structure''' along with attached '''R-group substituent Benzene'''. | | The structure shown is '''root structure''' along with attached '''R-group substituent Benzene'''. | ||
|- | |- | ||
− | | | + | | 10:02 |
| Let's summarize. | | Let's summarize. | ||
|- | |- | ||
− | | | + | | 10:04 |
| In this tutorial we have learnt | | In this tutorial we have learnt | ||
|- | |- | ||
− | | | + | | 10:06 |
| * Periodic table trends | | * Periodic table trends | ||
|- | |- | ||
− | | | + | | 10:09 |
| * Draw a reaction | | * Draw a reaction | ||
|- | |- | ||
− | | | + | | 10:11 |
| * Set up '''R-Group query'''. | | * Set up '''R-Group query'''. | ||
|- | |- | ||
− | | | + | | 10:14 |
| As an assignment, | | As an assignment, | ||
|- | |- | ||
− | | | + | | 10:16 |
| * Explore various Periodic table trends and | | * Explore various Periodic table trends and | ||
|- | |- | ||
− | | | + | | 10:19 |
| * Draw reactions of your choice. | | * Draw reactions of your choice. | ||
|- | |- | ||
− | | | + | | 10:24 |
| This video summarizes the Spoken Tutorial project | | This video summarizes the Spoken Tutorial project | ||
|- | |- | ||
− | | | + | | 10:28 |
| If you do not have good bandwidth, you can download and watch it. | | If you do not have good bandwidth, you can download and watch it. | ||
|- | |- | ||
− | | | + | | 10:33 |
| Spoken Tutorial team conducts workshops using Spoken Tutorials and gives certificates. | | Spoken Tutorial team conducts workshops using Spoken Tutorials and gives certificates. | ||
|- | |- | ||
− | | | + | | 10:39 |
| Please contact us. | | Please contact us. | ||
|- | |- | ||
− | | | + | | 10:42 |
| The Spoken Tutorial Project is funded by '''NMEICT, MHRD Government of India'''. | | The Spoken Tutorial Project is funded by '''NMEICT, MHRD Government of India'''. | ||
|- | |- | ||
− | | | + | | 10:49 |
| More information on this Mission is available at this link. | | More information on this Mission is available at this link. | ||
|- | |- | ||
− | | | + | | 10:55 |
| This is '''Madhuri Ganapathi''' from '''IIT Bombay''' signing off. Thank you for joining. | | This is '''Madhuri Ganapathi''' from '''IIT Bombay''' signing off. Thank you for joining. | ||
− | + | ||
|} | |} |
Revision as of 14:38, 1 April 2015
Time | Narration |
00:01 | Hello everyone. Welcome to this tutorial on Properties of JChemPaint.. |
00:07 | In this tutorial, we will learn |
00:09 | * Periodic table trends |
00:11 | * Draw a reaction |
00:12 | and * Set-up R-Group query |
00:16 | To record this tutorial I am using, |
00:19 | * Ubuntu Linux OS version 12.04 |
00:23 | * JChemPaint version 3.3-1210 |
00:29 | * Java version 7 |
00:31 | To follow this tutorial you should be familiar with, JChemPaint chemical structures editor. |
00:39 | * If not, for relevant tutorial, please visit our website. |
00:44 | Let's switch to JChemPaint window. |
00:48 | Recall that we had saved our .jar file on the Desktop. |
00:54 | Press CTRl+ALt and T keys simultaneously to open the Terminal. |
01:00 | Type '“cd space Desktop” and press Enter. |
01:06 | Type “java space -jar space ./jchempaint-3.3-1210.jar” and press Enter. |
01:21 | JChemPaint window opens. |
01:24 | Let's begin with Periodic Table trends. |
01:28 | The tool bar at the bottom shows buttons of some important elements. |
01:35 | The tool bar has two extra buttons towards the right. |
01:40 | * Enter an element symbol via keyboard and |
01:44 | * Select new drawing symbol from periodic table. |
01:48 | Click on Select new drawing symbol from periodic table button. |
01:55 | Choose an element window opens with an inbuilt Periodic Table. |
02:01 | Here we can see a box with the text Periodic Table of elements. |
02:06 | This is an information box. |
02:11 | The information box displays the details of chosen Element. |
02:16 | For eg: I will place the cursor on Oxygen. |
02:21 | Details about Oxygen are displayed in the information box. |
02:26 | Likewise, we can see the details of various Elements in the information box. |
02:34 | Click on Close to close the window. |
02:38 | Click on Enter an element symbol via keyboard button. |
02:42 | Click on the Panel. |
02:45 | Enter element text box opens. |
02:48 | We can type the symbol of the Element in the text box. |
02:53 | For example: I will type Xe for Xenon. |
02:58 | Click on OK button. |
03:02 | The symbol of Xenon(Xe) is displayed on the Panel. |
03:08 | Now, let's draw the structure of Xenondifluoride (XeF2). |
03:14 | Go to Edit menu, navigate to Preferences and click on it. |
03:20 | Preferences window opens. |
03:23 | Uncheck Show Implicit hydrogens check box if it is checked. |
03:29 | Click OK to close the Preferences window. |
03:33 | Click on Fluorine(F) button and then click on Single bond button. |
03:39 | Move the cursor on Xenon atom. |
03:42 | Notice, a small blue circle appears on it. |
03:46 | Click and hold the left mouse button. |
03:50 | And then drag to draw two Xenon-Fluoride bonds. |
03:56 | Now I will explain about Xenon's Atom Popup Menu. |
04:02 | Move the cursor over to Xenon atom, right-click on it. |
04:07 | Xenon's Atom Popup Menu opens. |
04:11 | Here, I will explain about Isotopes, Change Element and Properties options. |
04:18 | Let's first move to Isotopes. |
04:21 | A submenu opens with a list of Isotopes of Xenon. |
04:26 | Next, I will move the cursor to Change Element. |
04:30 | A submenu opens with various categories of elements. |
04:36 | I will scroll down to various categories. |
04:40 | I will choose Alkali Earth Metals. |
04:44 | Alkali Earth Metals list opens. |
04:48 | Select Calcium(Ca) from the list. |
04:52 | We see that element Xenon is replaced by Calcium. |
04:57 | Now, we move on to Molecular Properties option. |
05:01 | Right click on Calcium. |
05:04 | Calcium's Atom Popup Menu opens. |
05:08 | Click on Molecular Properties option. |
05:11 | Properties text box opens. |
05:14 | Type the name of the compound as Calcium Fluoride and click on OK button. |
05:20 | Name of the compound is displayed below the structure. |
05:24 | Let us save the file now. |
05:26 | Click on Save button on the tool bar. |
05:30 | Save dialog box opens. |
05:32 | Type the file name as Calcium-fluoride. |
05:36 | Click on Save button. |
05:39 | Next, we will learn how to create a reaction. |
05:42 | To draw a reaction, we need to draw the required structures. |
05:48 | I have opened a new window with required structures. |
05:52 | Here the reactants are Propene and Chlorine molecules and product is 1,2-dicholoropropane. |
06:01 | On the left side tool bar, click on the Reaction arrow button. |
06:06 | Click between reactants and products. |
06:10 | The reaction is created. |
06:13 | We will now allign the structures properly in the reaction. |
06:18 | Click on Relayout the structures button on the top tool bar.Structures align properly |
06:27 | I will now discuss about how to set up an R group query. |
06:31 | What is an R-group query? |
06:35 | * An R-group query involves Root structure and substituents. |
06:41 | * It represents substitution on the same root structure. |
06:45 | * It can involve derivatives which differ in one or more substituents. |
06:53 | Click on Create a new file icon to open a new window. |
07:01 | Click on Draw a chain button. |
07:03 | Click on the Panel to draw a Carbon chain with three Carbon atoms. |
07:09 | Let's create a substituent that has to be attached to the Carbon chain. |
07:14 | For example, Benzene. |
07:17 | Click on Benzene ring on right side tool bar. |
07:22 | Click on the Panel. |
07:24 | Let's label the terminal Carbon atom as R1 in the Carbon chain. |
07:31 | Right click on terminal Carbon atom. |
07:35 | Atom Pop menu opens. |
07:38 | Scroll down to Pseudo Atoms. |
07:42 | A submenu opens; select R1. |
07:45 | Now let's define the Carbon chain as root structure. |
07:50 | Click on Selection button. |
07:53 | Select the Root structure by dragging over it. |
07:57 | Go to R-groups menu and select Define as Root Structure. |
08:04 | The substituent structure will be added as Not in R-Group. |
08:10 | Click on Selection button; |
08:13 | select the Substituent. |
08:16 | Go to R-groups menu and select Define as Substituent. |
08:22 | An input box opens. |
08:24 | Here, enter an R-group number as “1” and click on OK button. |
08:30 | The substituent will be numbered as R1. |
08:34 | On the Root structure, the substituent R1 will be marked with an asterisk(*) |
08:41 | The attaching Carbon atom of the substituent R1 will also be marked with an asterisk(*). |
08:49 | Click on the Selection button, select Root Structure and substituent(R1). |
08:56 | Go to R-groups menu, select General Possible configurations(sdf). |
09:03 | Save dialog box opens. |
09:06 | Type the file name as r-group, select the location as Desktop. |
09:12 | Click on Save button. |
09:15 | Click on Open icon on the tool bar. |
09:19 | Open dialogue box opens. |
09:22 | In the “Files of Type”, select “All Files” |
09:27 | Click on Desktop. |
09:29 | Click Open; then select the saved r-group file. |
09:34 | Click on “Open” button. |
09:37 | A message pops up; click OK. |
09:41 | A new file opens with r-group query structure. |
09:46 | To allign the structure properly, click on Relayout the structure button on the tool bar. |
09:54 | The structure shown is root structure along with attached R-group substituent Benzene. |
10:02 | Let's summarize. |
10:04 | In this tutorial we have learnt |
10:06 | * Periodic table trends |
10:09 | * Draw a reaction |
10:11 | * Set up R-Group query. |
10:14 | As an assignment, |
10:16 | * Explore various Periodic table trends and |
10:19 | * Draw reactions of your choice. |
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10:55 | This is Madhuri Ganapathi from IIT Bombay signing off. Thank you for joining. |