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GaussView 5.0.9
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GaussView is the most advanced and powerful graphical interface available for Gaussian.
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GaussView is the most advanced and powerful graphical interface available for Gaussian. With GaussView, you can import or build the molecular structures that interest you, set up, launch, monitor and control Gaussian calculations, and retrieve and view the results, all without ever leaving the application. GaussView 5 includes many new features designed to make working with large systems of chemical interest convenient and straightforward. It also provides full support for all of the new modeling methods and features in Gaussian 09. This brief introduction will give you a Quick Start to using GaussView 5 to investigate molecules and reactions with Gaussian 09. We invite you to try the techniques described here with your own molecules.
GaussView 5 provides features for every phase of studying large molecular systems, from importing molecules from PDB files, through modifying structural features and setting up ONIOM calculations in Gaussian 09, to viewing and plotting the final results. GaussView can also import many other popular structure exchange formats.
GaussView 5 provides comprehensive support for importing and working with structures from PDB files:
* Select the desired structure(s) from multi-structure files.
* Add hydrogen atoms to all atoms automatically or manually according to user preference.
* Selectively add hydrogen atoms to one or more residues, chains, helices or other defined structural entities.
* Highlight/select atoms in individual residues or secondary structures.
* Quickly determine residue membership for any atom selected with the mouse.
* Easily assign atoms to ONIOM layers based on a variety of flexible criteria.
* Retain residue information within Gaussian 09 calculations and retrieved Gaussian 09 results.
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Platform: Windows
Downloads: 828 Category: Utilities
Linux machines in Chemistry
Within the Department of Chemistry this package is installed on all managed Linux workstations but can only be used by research groups who have contributed to the cost of the software. Access is controlled by membership of the gaussian09 Unix group. If you are a member of the Department of Chemistry and your group would like to get access to the Linux software please email support@ch.cam.ac.uk for the price, which is per-group and covers as many machines as you want provided they are physically located at the University.
Members of groups who have contributed to the cost of the Linux software may also install it on unmanaged Linux machines physically located within the University. Please see here for details.
Macs in Chemistry
Within the Department of Chemistry this package may also be installed on Macs that are physically located within the University. Please see here for details.
Gaussian 09 in other parts of the University
The University as a whole has a site licence for Gaussian 09 for both Linux and Mac. This licence was not arranged by the Department of Chemistry. The information is posted here in the hope that it helps would-be users of Gaussian in the University. Media to go with this licence have to be purchased directly from Gaussian Inc.
Other software from Gaussian
The University also has a site licence for Gaussian 03 for Linux. Within the Department of Chemistry Gaussian 03 is installed on all managed Linux workstations and can be used by anyone in the department. See the Gaussian 03 documentation for details.
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The University also has a site licence for Gaussian 16 for Linux. Within the Department of Chemistry this is available to groups who helped fund it.
The University also has a site licence for Gaussview 5 and 6 for Linux and Mac. For use within the department of Chemistry please see Gaussview.
On managed Linux machines load the gaussian09module to access the software. The program itself is called g09. We have several different modules available which correspond to slightly different CPU types. The 'default' module should always work, but for some computers one of the others may be faster.
We also have Gaussview 5 (a graphical frontend to Gaussian) available. Loading the gaussian module will also make gaussview available in your environment. Type gview to start it.
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Gaussian09 group
Access to Gaussian 09 is restricted by a nested group which is stored in Admitto for most machines. Some of the clusters have the group locally. New users are supposed to be added automatically. If a new research group contributes to the cost of media, add their '-users' group to the gaussian09 group in AD.
Installing
I followed the installation instructions by translating them into bash. It is necessary to have certain environment variables set for Gaussian to run (and on my system they didn't quite match the ones in the install instructions). They are GAUSS_EXEDIR, GAUSS_SCRDIR, and g09root. The gaussian modulefile is mildly interesting in that it works out the correct per-user scratch directory. It also warns the user if they are not in the Unix group 'gaussian09', as they will not be able to use the software.
To test the installation pick a test input file out of the tests/com subdirectory of the program directory. Run
and compare your output with the examples.