New version of Chekcell powder indexing helper tool

L. Cranswick l.m.d.cranswick at dl.ac.uk
Sun Jan 20 09:34:03 EST 2002


There is a new 17th January 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/

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/

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

A modified feature in Chekcell is that the "Density Explorer / Z Explorer"
is now a "Density Explorer / Z Explorer / MOLECULAR VOLUME Explorer"

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

Updated runthrough of the "Density / Z Explorer / Molecular 
Volume 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)

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

"Best Solution" results for automatically trying to work out the 
best Cell / Spacegroup combination can now be sorted.

Runthrough on this is at:

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

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

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 6850   Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick at dl.ac.uk    Room: B091
WWW: http://www.ccp14.ac.uk/





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