Re: the previous Email about various single crystal structure
packages that could be applied to extracted intensities from
powder data - the following could be of interest:
On the principle of look before you try, there are some
graphical run-throughs for Ton Spek's Platon software at
the following web-page:
http://www.ccp14.ac.uk/tutorial/platon/
Platon runs under Windows and UNIX. The UNIX version
of Platon also has "System S" which is a wrapper and complete
structure solution toolkit around Shelx, Crunch, Dirdif and
Sir structure solution and refinement software.
The subset of Platon functionality described in the runthroughs are:
-> Using Platon's Addsym to find missing Symmetry and possibly
correctly assign the spacegroup based on the atom positions
Refer to the following webpage on why the above could be considered
a crystallographic must have tool:
PLATON/ADDSYM analysis of all 1970 Cc structures in the CSD (apr 1999).
http://www.cryst.chem.uu.nl/platon/cc.mis
http://www.ccp14.ac.uk/ccp/web-mirrors/platon-spek/platon/cc.mis
http://ccp14.sims.nrc.ca/ccp/web-mirrors/platon-spek/platon/cc.mis
-> Using Platon to generate a CSD Quest query for checking if a
structure has already been published; and looking into related
structures.
-> Quickly evaluating Atom Environments, Atom Distances, Atom Angles
Using Platon
-> Generating Fobs and Fdif Fourier Electron Density Contour Maps
-> Using Platon to graphically loop through all Newman Projections in
the structure
=======
Platon Homepage:
http://www.cryst.chem.uu.nl/platon/
CCP14 Mirrors:
http://www.ccp14.ac.uk//ccp/web-mirrors/platon-spek/platon/
ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/platon-spek/platon/index.html
http://ccp14.sims.nrc.ca/ccp/web-mirrors/platon-spek/platon/index.html
Platon FTP Download site:
ftp://xraysoft.chem.uu.nl/pub/
CCP14 Mirrors:
http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/platon-spek/pub/
ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/ccp14/ftp-mirror/platon-spek/pub/
http://ccp14.sims.nrc.ca/ccp/ccp14/ftp-mirror/platon-spek/pub/
------
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: [EMAIL PROTECTED] Ext: 3703 Room C14
http://www.ccp14.ac.uk
