ChemWiki - User contributions [en]

Mod:GaussView

2008-07-25T15:58:05Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.


===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Talk:Mod:GaussView

2008-07-25T15:56:22Z

Chsov: Removing all content from page

Mod:GaussView

2008-07-25T15:51:56Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.



===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T15:35:13Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.



===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T15:34:32Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.



===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T15:33:34Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.

<!--Image time!

To insert an image into a file you will first need to upload it. There is an upload file link on the left of every page under the search bar. Then you can add the picture to the file with the tag:

[[Image:filename.JPG]]

The capitalisation of this tag is important for the I in image, the filename and the picture format. Type it as it come up after you upload the file. However, this adds the picture to the middle of the page and the text doesn't wrap around it, so you will more likely want to align it to either the left or the right.

[[Image:filename.JPG|right]]

left works just as well, and here don't capitalize the direction. This also automatically wraps the text around the picture. To add a caption to the picture you need another vertical line segment to give the picture a frame and another to add the caption.

[[Image:filename.JPG|right|frame|Caption goes here]]

Finally you may also want to resize the picture. To do that type the number of pixels you want the picture to take up horizontally and follow it with px. All in it's own horizontal line segment again. So it would look like this to resize a picture to 150 pixels:

[[Image:filename.JPG|right|frame|150px|Caption goes here]]

The rule about ordering the sections above is that the filename needs to come first and the caption has to come last. Other than that the order does not matter.

===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T15:33:20Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.



===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T15:32:53Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.

<!--Image time!

To insert an image into a file you will first need to upload it. There is an upload file link on the left of every page under the search bar. Then you can add the picture to the file with the tag:

[[Image:filename.JPG]]

The capitalisation of this tag is important for the I in image, the filename and the picture format. Type it as it come up after you upload the file. However, this adds the picture to the middle of the page and the text doesn't wrap around it, so you will more likely want to align it to either the left or the right.

[[Image:filename.JPG|right]]

left works just as well, and here don't capitalize the direction. This also automatically wraps the text around the picture. To add a caption to the picture you need another vertical line segment to give the picture a frame and another to add the caption.

[[Image:filename.JPG|right|frame|Caption goes here]]

Finally you may also want to resize the picture. To do that type the number of pixels you want the picture to take up horizontally and follow it with px. All in it's own horizontal line segment again. So it would look like this to resize a picture to 150 pixels:

[[Image:filename.JPG|right|frame|150px|Caption goes here]]

The rule about ordering the sections above is that the filename needs to come first and the caption has to come last. Other than that the order does not matter.

===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T15:04:20Z

Chsov:

Talk:Mod:GaussView

2008-07-25T14:31:28Z

Chsov: New page: Hey guys what do you think?

Hey guys what do you think?

Mod:GaussView

2008-07-25T14:31:07Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.

===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===
===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T14:26:31Z

Chsov:

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)

==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.

===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
'''Elelment Fragment''' - Brings up a periodic table for you to select an element and then it's structure and bonding. 
'''Ring Fragment''' - This allows you to quickly create common compound rings. 
'''R-Group Fragment''' - Gives easy access to common side chains. 
'''Biological Fragment''' - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
'''Custom Fragment''' - This allows you to save and load custom built structures. 
'''Modify Bond''' - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
'''Modify Angle''' - Clicking on three atoms allows you to specify the angle between them. 
'''Modify Dihedral''' - Clicking on four atoms allows you to specify the dihedral angle between them. 
'''Inquire''' - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
'''Add Valence''' - Adds a Hydrogen bond to the selected atom. 
'''Delete Atom''' - Deletes the selected atom.

==How to Run a Simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

==Different Types of Simulation==
===Optimisation===

===Energy===

===Viewing the Results of your Simulation===

Mod:GaussView

2008-07-25T13:41:02Z

Chsov: /* Learning to use GaussView */

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)
==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.
===Basics===
[[Image:Gaussview.JPG|right|500px|Initial GaussView Screen]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
Elelment Fragment - Brings up a periodic table for you to select an element and then it's structure and bonding. 
Ring Fragment - This allows you to quickly create common compound rings. 
R-Group Fragment - Gives easy access to common side chains. 
Biological Fragment - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
Custom Fragment - This allows you to save and load custom built structures. 
Modify Bond - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
Modify Angle - Clicking on three atoms allows you to specify the angle between them. 
Modify Dihedral - Clicking on four atoms allows you to specify the dihedral angle between them. 
Inquire - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
Add Valence - Adds a Hydrogen bond to the selected atom. 
Delete Atom - Deletes the selected atom.
==How to Run a simulation==
Once your structure is in place, you can run the calculations for it through Gaussview. To do this select '''Calculate->Gaussian'''. This opens a window that allows you to choose the calculation you want to run and with what method. When you have selected these click the submit button in the bottom-left corner of the window. You will be prompted to save and after you do so the calculation will run.

File:Gaussview.JPG

2008-07-25T13:26:47Z

Chsov:

Mod:GaussView

2008-07-25T13:25:37Z

Chsov: /* Learning to use GaussView */

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)
==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.
===Basics===
[[Image:Gaussview.bmp|Right]]
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
Elelment Fragment - Brings up a periodic table for you to select an element and then it's structure and bonding. 
Ring Fragment - This allows you to quickly create common compound rings. 
R-Group Fragment - Gives easy access to common side chains. 
Biological Fragment - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
Custom Fragment - This allows you to save and load custom built structures. 
Modify Bond - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
Modify Angle - Clicking on three atoms allows you to specify the angle between them. 
Modify Dihedral - Clicking on four atoms allows you to specify the dihedral angle between them. 
Inquire - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
Add Valence - Adds a Hydrogen bond to the selected atom. 
Delete Atom - Deletes the selected atom.

File:Gaussview.bmp

2008-07-25T13:03:49Z

Chsov:

Mod:GaussView

2008-07-25T10:59:05Z

Chsov: /* Basics */

==About Gaussian and GaussView==
Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical interface. (You might want to edit this bit yourself)
==Learning to use GaussView==
Before you can run the information on the various molecules you will be looking at, you will be looking at, you will need to know how to submit them to Gaussian. The easiest way to do so is to use GaussView to create the molecule and use the functions it contains within it to tell Gaussian what to calculate and how.
===Basics===
Everything you need to make your structure is available on the menu bar and it works primarily on a click and drag system. The first set of 11 icons from the left are what you need to create the desired structure. They are: 
Elelment Fragment - Brings up a periodic table for you to select an element and then it's structure and bonding. 
Ring Fragment - This allows you to quickly create common compound rings. 
R-Group Fragment - Gives easy access to common side chains. 
Biological Fragment - Gives a selection of Amino Acids and Nucleosides to add to your molecule. 
Custom Fragment - This allows you to save and load custom built structures. 
Modify Bond - Clicking on two atoms to create bonds of varing types and set the distance between atoms. 
Modify Angle - Clicking on three atoms allows you to specify the angle between them. 
Modify Dihedral - Clicking on four atoms allows you to specify the dihedral angle between them. 
Inquire - clicking two atoms shows you the distance between them, clicking three shows you the angle formed and clicking four shows you the dihedral angle formed. 
Add Valence - Adds a Hydrogen bond to the selected atom. 
Delete Atom - Deletes the selected atom.

Mod:GaussView

2008-07-24T16:07:11Z

Chsov: /* Basics */

Mod:GaussView

2008-07-24T16:05:15Z

Chsov: New page: ==About Gaussian and GaussView== Gaussian is a program that [insert description here]. It will be used to [again, say what you want]. GaussView is the program that has the pretty graphical...

Main Page

2008-07-24T14:07:48Z

Chsov: /* Third Year Computational Chemistry Lab */

= Chemistry Department Wiki, Imperial College London =

This is a communal area for documenting teaching and laboratory courses. To add to any content on these pages, you will have to log in using your Imperial College account. Each page has a history section, which shows when edits are made, by whom, and what the changes are. The other advantage is the common concepts can be enclosed as <nowiki>[[topic:title]]</nowiki>, which is a simple two-level taxonomy of terms. Thus all concepts relating to information use the category it:, modelling is grouped by mod:, organic chemistry by organic: etc. This has the advantage that an item authored by one person can be made generally available to all other pages, and duplication/repetition is minimised. Use the search box to find what others have written.

== Laboratories and Workshops ==

===First Year Chemical Information Lab ===
*[http://www.ch.ic.ac.uk/local/it/ Course Notes]

===Second Year Modelling Workshop ===
*[[Second Year Modelling Workshop]]

===Second Year Chemical Information Tutorial/Labs ===

*[http://www.ch.ic.ac.uk/local/it/ Course Notes]
*[[it:projects|Course Wiki]]

===Third Year Computational Chemistry Lab ===

*[[mod:laptop|Using your laptop]]
*[[mod:programs|General program instructions]]
*[[mod:organic|Organic Experiments]]
*[[mod:inorganic|Inorganic Experiments]]
*[[mod:physical|Physical Experiments]]
*[[Introduction to Gaussian and GaussView]]

==== Specialist CompChem Techniques ====

*[[it:SO|Spin Orbit Calculations]]
*[[it:DSpace|METS Metadatapackaging]]

= General FAQ and Resources =

#Converters to the Wiki format:
## [http://diberri.dyndns.org/wikipedia/html2wiki/ HTML2Wiki Converter]
##[http://www.mediawiki.org/wiki/Extension:Word2MediaWikiPlus Word to Wiki Visual Basic Macros]
##[http://download.openoffice.org/3.0beta/ OpenOffice 2.4/3.0 can read .doc and export Wiki]
#[[IT in the department]]
#[[it:seminars|Seminar Announcement system V 2.0 Project proposal]]
#[https://www.ch.ic.ac.uk/pss Seminar Announcement system V 1.0 operational]
#[https://scanweb.cc.ic.ac.uk/uportal2/ HPC Interface to DSpace Repository]
##[[it:uortal|Configuring uportal for new pools of computers]]
#[https://spectradspace.lib.ic.ac.uk:8443/dspace/ DSpace Digital Repository]
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== Lignocaine ==

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Structure of Taxol