ORTEX update - including VOID finding and GIF Movie generation
Lachlan Cranswick
l.cranswick at dl.ac.uk
Fri Feb 25 15:00:05 EST 2000
There is a new update of the Ortex single crystal suite
for MS Windows by Patrick McArdle (based around Shelx for
solution and refinement). (To try using the following
features, all you require is a valid Shelx INS/RES file)
----
Download ORTEX via:
(make sure you have enough spare hard-disk -
45 Meg to install)
http://www.nuigalway.ie/cryst/dload1.htm
http://www.ccp14.ac.uk/ccp/web-mirrors/ortex/cryst/dload1.htm
http://ccp14.sims.nrc.ca/ccp/web-mirrors/ortex/cryst/dload1.htm
----
Of the new features :
VOID
A program for the finding of Voids (including a handy
option to check the computation time this will take), viewing
of "void atoms" which can then append the found voids as
dummy atoms to the Shelx file.
An easy to use Movie/Animated GIF generator of rotating/
oscillating crystal structures. (click a button and it
generates all the tifs, converts to gifs and patches
them together into an animated GIF file)
e.g., http://www.ccp14.ac.uk/tutorial/ortex/images/movie1.gif
(This can handle protien based structures)
----
Some runthroughs of these in action are at:
http://www.ccp14.ac.uk/tutorial/ortex/void.html
http://www.ccp14.ac.uk/tutorial/ortex/movie.html
For getting Ortex to expand and give desired atomic plotting of
inorganic/mineral structures (which rotating animations can be
created), check out:
http://www.ccp14.ac.uk/tutorial/ortex/raster_cellpack.htm
Lachlan.
--------------------
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
15th December 1999 to 4th March 2000
Queen's University, Dept Geological Sciences,
Miller Hall, Union St, Kingston, Ontario
Canada, K7L 3N6
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703 Fax: +44-1925-603124
E-mail: l.cranswick at dl.ac.uk Ext: 3703 Room C14
http://www.ccp14.ac.uk
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