Chekcell powder indexing with new "Density Explorer / Z Explorer"

L. Cranswick l.m.d.cranswick at dl.ac.uk
Sun Dec 23 09:26:18 EST 2001


There is also a new 21st December 2001 version of Chekcell for Windows
graphical indexing helper tool for assigning cells and spacegroups
from powder data by Jean Laugier and Bernard Bochu - part of
the LMGP software suite.
(Chekcell interlinks with Robin Shirley's Crysfire powder indexing
suite)

  http://www.ccp14.ac.uk/tutorial/lmgp/
  http://ccp14.sims.nrc.ca/tutorial/lmgp/
  http://ccp14.semo.edu/ccp/tutorial/lmgp/
  
Crysfire powder indexing suite:
  http://www.ccp14.ac.uk/tutorial/crys/
  http://ccp14.sims.nrc.ca/tutorial/crys/
  http://ccp14.semo.edu/ccp/tutorial/crys/

--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+
--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+

The main new feature is that of a "Density Explorer / Z Explorer"
that can be very useful for organics / pharmaceuticals / organometallics 
(and other phase systems)

Just put in your molecular formula - a "density range" or "Z range"
and click "Calc" to generate a Density/Z table to the right of all
your trial cells (irrespective you have only 1 or 5000 trial cells)

Brief runthrough of the "Density / Z Explorer" within Chekcell at:

  http://www.ccp14.ac.uk/tutorial/lmgp/chekcell_density_explorer.html
  http://ccp14.sims.nrc.ca/tutorial/lmgp/chekcell_density_explorer.html
  http://ccp14.semo.edu/tutorial/lmgp/chekcell_density_explorer.html

The Density explorer menu can also be called within the Truecell and
LePage interfaces after generating derivative cells (super cells - sub
cells)

--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+
--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+--+

Chekcell Download:
  http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/
  http://ccp14.sims.nrc.ca/ccp/web-mirrors/lmgp-laugier-bochu/
  http://ccp14.semo.edu/ccp/web-mirrors/lmgp-laugier-bochu/

Lachlan.



-- 
-----------------------
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
  Birkbeck University of London and Daresbury Laboratory 
Postal Address: CCP14 - School of Crystallography,
                Birkbeck College,
                Malet Street, Bloomsbury,
                WC1E 7HX, London,  UK
Tel: (+44) 020 7631 6849   Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick at dl.ac.uk
WWW: http://www.ccp14.ac.uk/





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