Re: [sdpd] GFourier Tips & Tricks?

[L.M.D.Cranswick...@dl.ac.uk]

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> 
> >I'm learning to use GFourier.
> >Anyone who could share his (her) experience with me will be greatly
> >appreciated!
> >Is there any tutorial somewhere?
> 
> No tutorial to my knowledge. Even not at CCP14...

Yes - no tutorial as yet on CCP14.  Though as a comparison - Single 
crystal programs seem easier to create and manipulate maps compared
to powder programs - Crystals, Marching Cubes/ WinGX Contour and 
Mapview/ Platon

A slightly related question:

Has anyone looking into getting Maximum Entropy algorithms applied
into powder diffraction derived electron density Fourier
contour maps to generate "easier" to sharpen up the peaks
and make them easy to interpret.  And then implemented in an
easy to use and interpret manner?

Is it all that difficult to link in Maximum Entropy into
existing powder diffraction based Fourier programs?

The very new RIETAN 2000 interlinks into MEED/MEND maximum entropy:
  http://www.nirim.go.jp/~izumi/rietan/angle_dispersive/angle_dispersive.html
  http://www.ccp14.ac.uk/ccp/web-mirrors/rietan/~izumi/rietan/angle_dispersive/angle_dispersive.html

There are two freely available versions of Max Ent code that
I am aware of.

MEED, MEEDCAB and MEND 
  http://www.uni-tuebingen.de/uni/pki/maxent/maxent.html
  http://www.ccp14.ac.uk/ccp/web-mirrors/pki/uni/pki/maxent/maxent.html

And the original distribution frm Japan:
  http://www.bk.tsukuba.ac.jp/~kumazawa/Software/Software.html
  

Lachlan.


-- 
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
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