IUBio Biosequences .. Software .. Molbio soft .. Network News .. FTP

New bugfix version of Chekcell - plus IUCr Geneva Software Fayre update

L. Cranswick lzc at dl.ac.uk
Wed Jul 24 15:44:49 EST 2002

There is a new 24th July 2002 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




Bug fixed:

Some reflections were omitted with the hexagonal P6/mmm space group. 
This has been fixed. Thanks to Serge Desgreniers for identifying this. 


Also, as part of the Software Fayre being held at the IUCr Geneva 
Congress (Thursday 8th August until Wednesday 14th August 2002), 
there will be some formal sessions on using the (almost released)
Crysfire 2002 powder indexing presented by  Robin Shirley - followed 
by Chekcell sessions presented by me.


As of this date, other formal software sessions confirmed include:

Structure Solution from Powder Diffraction Data:
  - Fox (Radovan Cerny) and Maud (Luca Lutterotti)

Materials Analysis/Texture Thin Films/Reitveld/Microstructure
  - Maud (Luca Lutterotti)

Single Crystal:
  - Crystals (Richard Cooper and David Watkin)

  - CCTBX/Phenix (Ralf Grosse-Kunstleve)

There will be a much greater range of software installed that people can
play with (Platon/System S, Crunch, Dirdif, Sirware (Sir97/EXPO/Quanto),
SnB,ESPOIR,CAOS,GSAS-EXPGUI, Marching Cubes, BCA Educational Model building
material, etc, etc, etc) - but no
formal presentations booked around these as yet.

If anything is missing that you would like to see installed for either
the Windows or Linux PCs, please Email.  Permissions willing - it will 
be done.



Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
  Birkbeck University of London and Daresbury Synchrotron 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/

More information about the Xtal-log mailing list

Send comments to us at biosci-help [At] net.bio.net