[sdpd] Re: No news from DASH, ex-DRUID ?

[Lachlan Cranswick <l.m.d.cranswick...@dl.ac.uk>]

>DRUID was one of the rare winning program competing to the SDPD
>Round Robin (http://www.cristal.org/SDPDRR/). 
>
>The name changed in DASH at the last IUCr Congress, Glasgow,
>and brilliant live demonstrations were given.

If the main(?) problem people encounter with solving from
powders is reliable powder indexing - what percentage will
ever get through to trying solve using programs such as DASH.
(the above Round Robin was on a phase where the cell was given -
as it was a "solving" round robin - not an indexing round robin)

There seems to be much emphasis on solving from powder
on a known cell/spacegroup - but relatively little that 
is "available" in terms of new powder indexing methods.  

Refer:
  Available Software for Powder Diffraction Indexing Including 
  Publication Reference List 
    http://www.ccp14.ac.uk/solution/indexing/
  
Most existing programs are "find the peaks yourself" then try
out an indexing program/or suite - such as Crysfire, Winplotr,
Powder v2.00, PowderX, etc.

The only "available" exception seems to be the EFLECH/INDEX 
(fundamental parameters fitting) written by Joerg Bergmann -
   http://www.bgmn.de/related.html
   http://www.ccp14.ac.uk/ccp/web-mirrors/bgmn/related.html
   http://ccp14.sims.nrc.ca/ccp/web-mirrors/bgmn/related.html

This carries through a covariance matrix of all peak parameters
to the INDEX software.

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...@dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk