|XVibs project page||Download 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.
|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.|
|2003/02/19||Version 16 released.||Fixed output of decimal numbers with commas.|
|2002/05/01||Version 15 released.||
|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.||
|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.|
java -jar xvibs.jar [-h] [-version] [-useFreqInName] [-bounce] [-frames n] [-amplitude f] [-list listFile] file frequency_number
display usage information.
display the version of xvibs.
produce files numbered by frequency value rather than frequency number
create bouncing rather than looping animations.
nframes in the animations.
scale frequencies by
the file from which to read data.
the number of the frequency to output. Specifying "
all" will output all frequencies.
java -jar xvibs.jar ch3oh_gam.out all
Outputs all vibrations into files named '
java -jar xvibs.jar ch3oh_gam.out 15
Outputs only vibration 15 into the file named '
By default, XYZ files created are in loop animation. The option
-bouncewill create bouncing animations.
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