Jul 05, 2018 Trusted Windows (PC) download GaussView 6.0.16. Virus-free and 100% clean download. Get GaussView alternative downloads. Computational Chemistry Pre-Compiled Binaries for Mac OS X. Pre-compiled binaries of computational chemistry programs can save the time and trouble of obtaining and compiling the program source code. The binaries discussed on this page have been tested on Mac OS X 10.5. GaussView 5 Features at a Glance; Supported Platforms: Linux/UNIX/Intel Mac; GaussViewW; GaussView for Mac OS X; Pricing Information; Maintenance is available for GaussView. RELATED PROGRAMSOur Recommendations. A D V E R T I S E M E N T. Does anyone have GaussView 3.0 or a free download link for it?
The Department of Chemistry only makes this software available to research groups who have contributed towards the cost of acquiring the media.
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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 gaussian16 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 [email protected] 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.
Gaussian 16 in other parts of the University
The licence Chemistry has arranged for Gaussian 16 covers the whole University. Other departments can access the software either by purchasing media sets directly from Gaussian, Inc or by arranging with Chemistry to pay a share of the licence cost and then getting the software via Chemistry. Contact [email protected] for details.
Other software from Gaussian
The University has site licences for Gaussian 09 for Linux and Mac, Gaussian 03 for Linux, Gaussview 5 for Linux and Mac, and Gaussview 6 for Linux and Mac.
On managed Linux machines load the gaussian16module to access the software. The program itself is called g16. We have several different gaussian16 module versions available which support different CPU types. If you have trouble with Gaussian crashing with messages like 'illegal instruction' you probably need to try a module for a different CPU type. The gaussian16/16-A03/x86_64 module should work on all managed Linux machines but will not give the fastest performance on modern CPUs.
We also have Gaussview 6 (a graphical frontend to Gaussian) available. Loading the gaussian module will also make gaussview available in your environment. Type gview to start it.
Gaussian16 group
Access to Gaussian 16 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 gaussian16 group in AD, update the list of groups contributing to Gaussian 16.
Pre-compiled binaries of computational chemistry programs can save the time and trouble of obtaining and compiling the program source code.
The binaries discussed on this page have been tested on Mac OS X 10.5.
MOPAC 7
- Obtain the MOPAC 7 binary
MOPAC 7 is public domain and the pre-compiled binary code mopac7.exe.tar.gz can be obtained from the WebMO website - Uncompress MOPAC 7 binary
Open your download directory in Finder and double-click the mopac7.tar or mopac7.exe.tar.gz file to uncompress mopac.exe. If this does not occur automatically, open a terminal session and uncompress mopac.exe manually$ cd {download_dir}
$ tar xf mopac7.tar
or
$ tar xzf mopac7.exe.tar.gz - Install MOPAC 7 binary
From a terminal session$ sudo bash (enter password)
# mkdir -p /Applications/chemistry/mopac7
# cd /Applications/chemistry/mopac7
# cp -p {download_dir}/mopac.exe
# chown root:admin mopac.exe
# exit - Configure WebMO to use MOPAC 7 as a computational engine
- Login to WebMO as user 'admin'
- Click 'Interface Manager' to enable the interfaces to any computational chemistry packages that you have installed on your system
- Click the 'Enable Inerface' icon for MOPAC
- Click the 'Edit Interface' icon to configure the MOPAC interface
- Edit entries as follows and click Submit
- Mopac Version: Mopac 7
- Mopac path: /Applications/chemistry/mopac7/mopac.exe
- External parameter dir:
- Click 'Return', 'Return to Admin', and 'Logout' to exit the WebMO administration pages
- Login as a WebMO user, and run a test job using MOPAC as the computational engine
MOPAC 2009
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- Request license (free for academic use) from MOPAC 2009 website:
http://www.openmopac.net/download-c.html
A license of the form 12345678a12345678 will be sent to you in an email message - Download MOPAC2009 for Macintosh (MOPAC2009_for_Macintosh.zip) from
http://www.openmopac.net/Download_MOPAC_Executable_Step2.html - Install MOPAC2009 binary
From a terminal session$ cd {download_dir}
$ mkdir mopac2009
$ cd mopac2009
$ unzip ../MOPAC2009_for_Macintosh.zip
$ sudo bash (enter password)
# mkdir -p /Applications/chemistry/mopac
# cd /Applications/chemistry/mopac
# cp -p {download_dir}/mopac2009/MOPAC2009.exe .
# chown root:admin MOPAC2009.exe
# chmod 755 MOPAC2009.exe
# xattr -d com.apple.quarantine MOPAC2009.exe - Install MOPAC2009 license# export MOPAC_LICENSE=/Applications/chemistry/mopac/(press {Return} twice, type 'Yes', and press {Return} as prompted, which creates the file password_for_mopac2009)
# /Applications/chemistry/mopac/MOPAC2009.exe {license} - Run a test job from the command line$ cd ~
$ mkdir -p test/mopac2009
$ cd test/mopac2009
$ cp -p {download_dir}/mopac2009/Example data set.mop h2co.mop
$ export MOPAC_LICENSE=/Applications/chemistry/mopac/
$ /Applications/chemistry/mopac/MOPAC2009.exe h2co.mop
$ more h2co.out - Configure WebMO to use Mopac 2009 as a computational engine
- Login to WebMO as user 'admin'
- Click 'Interface Manager' to enable the interfaces to any computational chemistry packages that you have installed on your system
- Click the 'Enable' button for Mopac
- Click 'Edit' to configure the MOPAC interface
- Verify that the entries are correct; if necessary, edit entries and click Submit
- Mopac Version: Mopac 2009
- Mopac path: /Applications/chemistry/mopac/MOPAC2009.exe
- External parameter dir:
- Click 'Return', 'Return to Admin', and 'Logout' to exit the WebMO administration page
- Login as a WebMO user, and run a test job using MOPAC as the computational engine
- MOPAC documentation
The online manual for MOPAC2007 covers everything in MOPAC2009, except the MOZYME feature designed for linear scaling of larger molecules
Gaussview 5
GAMESS
- Request a copy of the GAMESS binary
Visit the GAMESS homepage, click 'How to get GAMESS', click 'obtaining GAMESS', click 'I agree to the above terms', enter your email address, choose the pre-compiled distribution for 'GAMESS version Mmm DD, YYYY R# for MacOS X', and click 'Submit Request'. An email with download instructions will be sent to you. - Obtain the GAMESS binary
Download the pre-compiled binary file appropriate for your CPU, e.g., gamess-OSX.Current.x86-64.tar.gz for a 64-bit x86 processor, using the username 'source' and the password in the email message that you received - Safari will automatically uncompress the archive. If not, open a terminal session and uncompress the downloaded file manually
- Install GAMESS binary
From a terminal session$ sudo bash (enter password)
# mkdir -p /Applications/chemistry
# cd /Applications/chemistry
# tar xvf /{download_dir}/gamess-OSX.Current.x86-64.tar
# chown -R root:admin gamess - Note Mmm DD YYYY version of GAMESS
- Add a symbolic link to the gamess binary# cd gamess
# ln -s gamess.*.x gamess.00.x
# exit - Configure WebMO to use GAMESS as a computational engine
- Login to WebMO as user 'admin'
- Click 'Interface Manager' to enable the interfaces to any computational chemistry packages that you have installed on your system
- Click the 'Enable Inerface' icon for GAMESS
- Click the 'Edit Interface' icon to configure the GAMESS interface
- Edit entries as follows and click Submit
- Gamess Version: Mmm DD YYYY
- Gamess directory: /Applications/chemistry/gamess
- Gamess binary: gamess.00.x
- Ddikick binary: ddikick.x
- Click 'Return', 'Return to Admin', and 'Logout' to exit the WebMO administration pages
- Login as a WebMO user, and run a test job using GAMESS as the computational engine
Gaussview 6.0
GAUSSIAN 03
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- Obtain Gaussian 03 binary
Gaussian 03 is a commercial software product and must be purchased from Gaussian, Inc. Both source code and pre-compiled binary versions of Gaussian 03 are available. Please visit the Gaussian website for information about purchasing a 32-bit or 64-bit binary version of Gaussian 03 for Mac OS X. - Setup gaussian group and add authorized users to this group
Select Apple: System Preferences...: Accounts
Click the lock in the lower-left to make changes, and enter an administrator name and password
Click the + button, select New Account: Group, and enter Name: gaussian
Click Create Group
With the gaussian group highlighted, check the user accounts that are permitted to run gaussian, e.g., smith
Click the lock in the lower-left corner to end making changes
Add the webserver user (www in OS X 10.4, or _www in OS X 10.5) to the gaussian group. This must be done manually using terminal (Applications/Utilties/Terminal) because the webserver is not an ordinary user.
In OS X 10.4,$ sudo dscl . -merge /Groups/gaussian GroupMembership wwwor in OS X 10.5,$ sudo dscl . -merge /Groups/gaussian GroupMembership _wwwNote: group permissions can be verified from terminal with
or$ id -p _www - Copy binary distribution from CD-ROM
Create the new folder /Applications/chemistry
Insert CD-ROM
Copy /tar/*.TAZ from CD-ROM into /Applications/chemistry
Eject CD-ROM - Extract files and change permissions
Run /Applications/Utilities/Terminal$ sudo bash
# cd /Applications/chemistry
# tar xzvf *.TAZ
# chown -R root:gaussian g03
# exit - Optionally, setup gaussian environment and run a test job from terminal$ cd ~
$ mkdir g03
$ cd g03
$ vi g03setup.sh
export g03root=/Applications/chemistry
export GAUSS_SCRDIR=/tmp
source $g03root/g03/bsd/g03.profile
$ cp -p /Applications/chemistry/g03/tests/com/test001.com test001.com
$ cp -p /Applications/chemistry/g03/tests/ia64/test001.log test001.log.ia64
$ source g03setup.sh
$ g03 < test001.com > test001.log.osx
$ tail test001.log.ia64
$ tail test001.log.osx - Configure WebMO to use Gaussian03 as a computational engine
- Login to WebMO as user 'admin'
- Click 'Interface Manager' to enable the interfaces to any computational chemistry packages that you have installed on your system
- Click the 'Enable' button for Gaussian
- Click 'Edit' to configure the Gaussian interface
- Verify that the first two entries are correct:
- Gaussian Version: Gaussian 03
- Gaussian root directory: /Applications/chemistry
- Click the 'Suggest' button to fill the remining entries
- Click the 'Submit' button for the changes to take effect
- Click 'Return', 'Return to Admin', and 'Logout' to exit the WebMO administration page
- Login as a WebMO user, and run a test job using Gaussian as the computational engine