[sdpd] Re: SYMMETRY SOFTWARE FOR MS DOS,WINDOWS

[L.M.D.Cranswick... @dl.ac.uk (L. Cranswick)]

> can any body suggest some software to get informations about point group,sp=
> ace group,
> character tables and other symmetry properties in difficult situations.
> 
> 
> Zia Khan
> 

The software you might want to use can depend on the specific problem.

Space Group Explorer for Windows is worth getting a hold of:
   http://www.calidris-em.com/archive.htm

SGInfo can be run both stand alone and via the web:
   http://www.csb.yale.edu/sginfo/
(is also part of the WinGX single crystal suite:
 http://www.chem.gla.ac.uk/~louis/wingx/
 http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/wingx/ )


Quite a few web-databases are available:
   
 ALTWYK - "Symmetry equivalent positions generator"
is a very good one:
   http://ylp.icpet.nrc.ca/altwyk/default.htm

-----

A cheaper alternative to the International Tables that
can be obtained on CD-ROM:

A Hypertext Book of Space Group Diagrams and Tables 
  http://img.cryst.bbk.ac.uk/sgp/mainmenu.htm
(example spacegroups are visible via the above web address)

-----

PowderCell - very good for looking into phase transitions:
  http://www.bam.de/a_v/v_1/powder/e_cell.html
  http://www.ccp14.ac.uk/ccp/web-mirrors/powdcell/a_v/v_1/powder/e_cell.html

Shareware CRYSCON - structure transformation:
  http://www.shapesoftware.com/#anchor_cryscon
  http://www.ccp14.ac.uk/ccp/web-mirrors/shape/#anchor_cryscon


Lachlan.


-- 
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick... @dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk