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[sdpd] STX:RIET:CLAY: WinGX single by Louis Farrugia - new version (plus GUI WinORTEP and WinPlaton)
NB: Rietveld users may like to note that WinGX now interlinks with
the GUI Crystals Single Crystal refinement suite (Watkin, Cooper, et al) -
providing extra flexibility for placement of Hydrogens and "regularizing"
rings (5 and 6 ring aromatics, etc), polyhedra, DLS (Distance Least Squares),
etc. (WinGX still of course interlinks with George Sheldrick's Shelxl)
Mineral and inorganic types should also note that Larry Finger's
VOLCAL for calculating polyhedral volumes has also been added into
WinGX.
------------
There is a new version of WinGX for Windows by Louis Farrugia which
is freely available for academic and student users via the internet.
Existing licence files will work with the new version.
New additions include a preliminary GUI for Shelxd; twin menu which
implements Simon Parson and Bob Gould's ROTAX and creates HKLF5 files;
can spawn Crystals (Watkin, Cooper, et al) as well as Shelxl (George
Sheldrick) for structure refinement; Larry Finger's VOLCAL for
calculating polyhedral volumes has been added.
WinGX homepage:
http://www.chem.gla.ac.uk/~louis/software/wingx/
CCP14 Mirrors:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/wingx/
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/wingx/
US: http://ccp14.semo.edu/ccp/web-mirrors/farrugia/~louis/software/wingx/
-------
WinGX Download:
http://www.chem.gla.ac.uk/~louis/software/wingx/ver164.html
CCP14 Mirrors:
UK:
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/wingx/ver164
.html
CA:
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/wingx/ver1
64.html
US:
http://ccp14.semo.edu/ccp/web-mirrors/farrugia/~louis/software/wingx/ver164.html
The complete list of new options are:
(a) preliminary GUI for SHELXD
(b) minor changes to KappaCCD Data Processing and MAPVIEW GUI's
(c) new TWIN menu which implements ROTAX (thanks to Simon Parsons)
and Make HKLF5 (LJF).
(d) options to import/export SORTAV reflection files and to add
a batch number to free format import of reflections files
(e) option to use huge version of SHELXL-97 for very large
structure. This option is set from Shelxl panel in WinGX Preferences
(f) If WinGX detects that a recent Windows version of Crystals
(David Watkin and coworkers - Oxford) is installed, a new menu
item on the Refine menu is added. This allows users to transfer
data easily between WinGX and Crystals - it is anticipated that
this interface will improve with time. Thanks to Richard Cooper
for much helpful advice in this matter.
(g) the number of job subdirectories which WinGX will recognise
has been increased from 200 to 500
(h) new program added as a quick test of data quality for
high-redundancy data sets (e.g. from area detectors).This
is executed from the KappaCCD Data Processing GUI.
(i) two new reflection filter routines have been added to replace
Data-HKL EDIT-APPLY LIMITS. These are more flexible than the
previous routines, and may be accessed from the Data-HKL EDIT
menu and the KappaCCD-Process data GUI.
(j) Larry Finger's routine VOLCAL which calculates polyhedral
volumes has been added.
(k) The options on the Help menu which select individual document
files now use the Windows shell to open them. As a result, if
the requisite program is already running, the document will be
loaded into that instance, rather than launching a new instance.
--+--+
ALSO:
There is a new bugfix version of GUI WinORTEP by Louis
Farrugia.
"Version 1.073. A minor update on 1.072 with a few bug fixes"
Existing licence files will work with the new version.
GUI WinORTEP homepage:
http://www.chem.gla.ac.uk/~louis/software/ortep3/
CCP14 Mirrors:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/ortep3/
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/ortep3/
US: http://ccp14.semo.edu/ccp/web-mirrors/farrugia/~louis/software/ortep3/
=======================
Plus note that there is a new version of WinPlaton Task Bar
and WinPlaton (December 10th 2001) (Windows port of Ton Spek's
Platon). Be aware the the Windows platon.exe is spawned by
first running the Platon Taskbar (pwt.exe). Thus if you are
having trouble with WinPlaton, it could be that you are trying
to run Platon.exe directly instead of via the Platon Taskbar
program.
WinPlaton homepage:
http://www.chem.gla.ac.uk/~louis/software/platon/
CCP14 Mirrors:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/platon/
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/platon/
US: http://ccp14.semo.edu/ccp/web-mirrors/farrugia/~louis/software/platon/
---------------
Ton Spek's Platon homepage (UNIX):
http://www.cryst.chem.uu.nl/platon/
CCP14 Mirrors:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/platon-spek/platon/
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/platon-spek/platon/
US: http://ccp14.semo.edu/ccp/web-mirrors/platon-spek/platon/
Platon for UNIX download :
ftp://xraysoft.chem.uu.nl/pub/
CCP14 Mirrors:
UK: http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/platon-spek/pub/
CA: http://ccp14.sims.nrc.ca/ccp/ccp14/ftp-mirror/platon-spek/pub/
US: http://ccp14.semo.edu/ccp/ccp14/ftp-mirror/platon-spek/pub/
=======================
-----------------------
Lachlan M. D. Cranswick
Collaborative Computational Project No 14 (CCP14)
for Single Crystal and Powder Diffraction
Birkbeck University of London and Daresbury Laboratory
Postal Address: CCP14 - School of Crystallography,
Birkbeck College,
Malet Street, Bloomsbury,
WC1E 7HX, London, UK
Tel: (+44) 020 7631 6849 Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick...@dl.ac.uk
WWW: http://www.ccp14.ac.uk/
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