[sdpd] STX:CLAY:CCP14: Updated McMaille powder indexing program with black-box mode mode

[Lachlan Cranswick <L.M.D.Cranswick...@dl.ac.uk>]

The McMaille Monto Carlo whole powder profile indexing 
program by Armel Le Bail has been significantly updated.

--------------

McMaille Homepage and download at:

   http://www.cristal.org/McMaille/

--------------

A new feature is a black box mode with simplied input
that will try and automatically index the cell without
any user guidance.  This is described at:

  http://www.cristal.org/McMaille/short-manual.html

As part of black box mode, McMaille will write out a full
control file for custom control of all the McMaille indexing
options if the Black Box method does not suceed.

While McMaille can take hours to days to run - it is
relatively insensitive to trace impurity peaks.

-----------

Also, McMaille can now support "file in - file out"
from the command line.

- Click on McMaille.exe and you will be prompted for the 
  filename or
- Open a DOS box and type "McMaille name" 
   (no file extension required in both cases)

  This allows McMaille to be interlinked with other
   software and indexing suites quite easily

---------

Lachlan.

-----------------------
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...@dl.ac.uk   Room: B091
WWW: http://www.ccp14.ac.uk/


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