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)

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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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