Author Topic: Visualization  (Read 7945 times)

Gopakumar

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Visualization
« on: January 22, 2007, 12:19:04 pm »
Which visualization tool is good for viewing aoforce generated vibrational modes. I know that the turbomole utility tm2molden can generate a molden input. Is there any other viewer program available ?
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turbomaster

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Re: Visualization
« Reply #1 on: January 22, 2007, 12:36:09 pm »
The files generated with tm2molden can be also viewed using a free
program molekel
http://www.cscs.ch/molekel
Vibrational modes calculated with TM can also be viewed directly from
the control file using Viewmol
http://viewmol.sourceforge.net
« Last Edit: January 22, 2007, 02:25:46 pm by turbomaster »

antti_karttunen

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Re: Visualization
« Reply #2 on: January 22, 2007, 02:17:44 pm »
Hello,

Mikael Johansson from the University of Helsinki has created a very useful python script aoforce2g94 that converts an aoforce output file to a Gaussian94 output file. The Gaussian94 output file can then be opened with several visualization programs that understand the Gaussian frequency data (JMol, Molekel, etc.).

Link to the aoforce2g94.py script: http://www.helsinki.fi/~mpjohans/scripts/
« Last Edit: January 23, 2007, 01:13:15 pm by antti_karttunen »