XVibs

A utility for animating molecular vibrations. Normal modes are read from a file automatically determined to be from Aces2, Gamess, PC Gamess, Gaussian 90/92/95/94/98, ADF, Dalton, Jaguar, MOPAC, or HyperChem. Separate animation files are written for each vibration. The animation is a simple cosine trajectory of the normal mode vectors. The output files are in XYZ format, readable by Jmol, with normal mode vectors attached to each atom.

News

2006/03/08	Version 17 released.	By requesting "-frames 0", vectors for all normal modes requested are dumped to a single file, which can then be read using Jmol 10.
2004/06/13	Xvibs resurrected	After nearly a year of official retirement, Xvibs is back for some minor improvements/extensions.
2003/07/20	Xvibs retired.
2003/02/19	Version 16 released.	Fixed output of decimal numbers with commas.
2002/05/01	Version 15 released.	Fixed reading Gaussian 94 jobs which use the Opt=Z-matrix option. Extended recognition of elements to the entire periodic table.
2002/02/27	Version 14 released.	Reading of Spartan has been added thanks to output files from Robert Lancashire.
2002/02/24	Version 13 released.	Reading of HyperChem has been added. Removed '.' separating base file name from frequency number in order to make output files more compatible with Windows. Optionally use frequency value rather than frequency number in names of the generated files. Optionally output a Javascript file listing the names of the files generated. Thanks to Robert Lancashire for his input and modifications.
2002/02/06	Version 12 released.	Fixed a problem reading Jaguar vibrations thanks to Chris Beck.
2001/04/27	Version 11 released.	Reading of Gaussian 90 and MOPAC have been added thanks to output files from Robert Lancashire.

Usage

java -jar xvibs.jar [-h] [-version] [-useFreqInName] [-bounce] [-frames n] [-amplitude f] [-list listFile] file frequency_number

Options

-h display usage information.

-version display the version of xvibs.

-useFreqInName produce files numbered by frequency value rather than frequency number
-bounce create bouncing rather than looping animations.

-frames n produce n frames in the animations.
-amplitude f scale frequencies by f.
-list listFile output a Javascript list of the generated files to the given listFile.
file the file from which to read data.
frequency_number the number of the frequency to output. Specifying "all" will output all frequencies.

Examples

java -jar xvibs.jar ch3oh_gam.out all
Outputs all vibrations into files named 'ch3oh_gam.{001-018}.xyz'

java -jar xvibs.jar ch3oh_gam.out 15
Outputs only vibration 15 into the file named 'ch3oh_gam.015.xyz'

By default, XYZ files created are in loop animation. The option -bounce will create bouncing animations.

Download

XVibs is distributed under GNU General Public License, and can be downloaded from the XVibs project files. Native binaries are no longer distributed.

XVibs project page

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`-h`	display usage information.
`-version`	display the version of xvibs.
`-useFreqInName`	produce files numbered by frequency value rather than frequency number
`-bounce`	create bouncing rather than looping animations.
`-frames n`	produce `n` frames in the animations.
`-amplitude f`	scale frequencies by `f`.
`-list listFile`	output a Javascript list of the generated files to the given listFile.
`file`	the file from which to read data.
`frequency_number`	the number of the frequency to output. Specifying "`all`" will output all frequencies.