Subject: Summary:GIF file with frequency animation

From: Yubo Fan <[email-masked]>
Date: Thu, 29 Nov 2001 09:51:39 -0600

Hi,

This is the summary for creating animated gif or mpeg files of
vibrations of molecules from G98's output.

Hi,

Guassview and HyperChem can visualize vibrational modes calculated by
G98, to my knowledge.  But, they can't export the animations to any
format that common programs, such as Windows MediaPlayer, can load.  In
fact, I want to create some animated GIF files for some frequencies.  I
mean if I can capture 4 or 5 pictures from Guassview or HyperChem's
animation, these GIF files can be created correctly.

Any advice?  Thanks in advance

Yubo

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gOpenMol (available free from Leif Laaksonen) can do this - it will
write
MPEGs.  You can also get it to write out a set of bitmap files for each
frame of your trajectory and then use some program like Paintshop Pro
(for
windows) to make animated GIFs.  See the gOpenMol link on my web page
for a
tutorial on gOpenMol that includes instructions on downloading.

Prof. Scott L. Anderson
Department of Chemistry
University of Utah
315 S. 1400 E. Rm 1216
Salt Lake City, UT  84112
(801)585-7289
FAX(801)581-8433
www.chem.utah.edu/chemistry/faculty/anderson/anderson.html

================================================

GIMP (http://www.gimp.org/) will create animated gif files for you
(and much, much more). GIMP is free, and is available for both
windows, and unix platforms.

Dr. Serguei Patchkovskii

Tel: +1-(613)-991-2719
Fax: +1-(613)-947-2838
E-mail: [email-masked]

Research Council Officer
Steacie Institute for Molecular Sciences
National Research Council Canada
Room 2158, 100 Sussex Drive
Ottawa, Ontario
K1A 0R6 Canada

================================================

I have done this sort of thing with molekel and paintshop pro.  molekel
can
save an image as a .gif file; paintshop can string these together to
make
and nimated .gif file.  I have attached an example of this: an animation

that shows the decomposition of carbonic acid.  This is the result of an

IRC calculation in gaussian.
Steve

Steve Williams
A. R. Smith Department of Chemistry
Appalachian State University
Boone, NC 28608
USA
828-262-2965

================================================

I looked at that too. I did not find an easy solution. What I do is
install
X-win (eg from www.starnet.com-you: they give a trial version and then
you
have to buy a license, but I heard there might be a crack), then install

molden (http://www.caos.kun.nl/~schaft/molden/molden.html) on my
windows-pc
and show the vibration. A second option is to let molden make a gif file

> from every screen update while you visualise a vibration. All these
files
can then be grouped into a .mov file (I use a program that comes with
coreldraw). A third option is to use a screen grabbing utility. I know
my
collegue uses this on a silicon graphics O2-I don't know if it available

for your installation.

I hope this help. If you come up with a better solution I would be
interested to hear about it!

Best Regards,

Mark Saeys
Laboratory for Petrochemical Engineering
Ghent University
Krijgslaan 281 (S5)
B9000 Gent
Belgium
tel: .32.(0)9.264.56.78
fax: .32.(0)9.264.49.99
http://lptnt01.rug.ac.be/chemical.engineering

================================================

I don't use Windows much at all, but I'd expect there are any number
of screen-capture or screenshot programs available. Couldn't you use
these to take a shot of each frame and then import them into a program
for a GIF animation? Certainly not as nice as being able to save frames
e.g.:

molecule-frame1.gif
molecule-frame2.gif ...

I certainly know Linux and MacOS have programs that will capture the
graphics in a particular window, so Windows should also have them.

--
--
-Geoff Hutchison        <[email-masked]>
Ratner/Marks Groups     (847) 491-3295
Northwestern Chemistry  http://www.chem.nwu.edu/

================================================

perhaps one idea. Molden is able to write a gif per screen update. So
you
can animate and write gifs at the same time. With common grafic programs

it should be able to merge the single files to an animated
gif. Perhaps
there is a similar way in gv and Hyperchem ....

Hope this helps

Alex

---

Dr. Alexander Hofmann
Institute for Applied Chemistry Berlin-Adlershof
P.O. Box 96 11 56       Richard-Willstaetter-Str. 12

D-12474 Berlin          D-12489 Berlin

[email-masked]

Tel.: +49-30-6392-4408
Fax.: +49-30-6392-4350

http://www.aca-berlin.de

================================================

An example of an animated gif-file created this way can be seen on
this web-page:
http://Virgil.ruc.dk/kurser/KemFys2/adm_opg.htm

It shows the "bell-clapper" vibration of trithiapentalene,
and was created by Jens Peter Jensen and Morten Langgaard by capturing
images
> from HyperChem's vibrational mode animation.

Yours, Jens >--<

=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-
JENS SPANGET-LARSEN         Office:     +45 4674 2710
Department of Chemistry     Fax:        +45 4674 3011
Roskilde University (RUC)   Cell-Phone: +45 2320 6246
P.O.Box 260                 E-Mail: [email-masked]
DK-4000 Roskilde, Denmark   http://virgil.ruc.dk/~jsl
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-

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molden and gifmoviegear

http://www.caos.kun.nl/~schaft/molden/molden.html

http://www.gamani.com/

-Phil Matz

================================================

Hi Yubo,

There is some soft - known as video grabbers - which is capabele to take
the snapshots from your monitor, while vibratin animations play.

Better way  - in my mind - use gOpenmol. There is option to export
normal modes vibrations into MPEG, via making TGA files. Later you can
convert TGA to GIF files for each frame. Then you can bring all
frames together in any GIF animation sotware (there is sharaware as
well). That's all.

Good luck - I think it'll help you :-)
Arturas

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