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[sdpd] RIET: New version of WinGX single crystal suite by Louis Farrugia
[Send to the Rietveld and SDPD lists as WinGX can also be
very useful for powder people]
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A new version of WinGX Single Crystal suite (1.64.04) by Louis Farrugia
of Glasgow University is now available for download via the web. WinGX
links to a wide variety of structure solving programs (Shelxs, Sir, Patsee,
Dirdif), refinement programs (Shelxl, Crystals, Jana) as well as a wide
range of other subsidery programs - data analysis, absorption correction,
Fourier Maps, validation, etc, etc, etc. If you have already registered
for WinGX 1.64 - there is no need to update the registration.
WinGX 1.64.04 Download site :
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
AU:
http://ccp14.minerals.csiro.au/ccp/web-mirrors/farrugia/~louis/software/wing
x/ver164.html
=========================================
>From the update announcement:
This program may be installed over your previous version. Note
that it is NOT necessary to obtain a new license, your old one
will work with this new version. It is advisable to save a
copy of your license and WINGX.INI file to ensure they are
not overwritten.
If you install over your current version, please delete all
files in the directory /wingx/manuals - they are in a new
format in this release.
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If you have any problems with setting up WinGX, please read Install_164.doc
in the installation directory, and/or see the FAQ page at the WinGX site
http://www.chem.gla.ac.uk/~louis/software/faq.html
CCP14 Mirrors:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/faq.html
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/faq.html
US: http://ccp14.semo.edu/ccp/web-mirrors/farrugia/~louis/software/faq.html
AU:
http://ccp14.minerals.csiro.au/ccp/web-mirrors/farrugia/~louis/software/faq.html
=========================================
Changes over previous version
Numerous bug fixes, including
(a) Bug fix in SXGRAPH correcting TWIN matrix wrongly written.
(b) Fixed problem with long fullpath names and Render/Cameron
(c) Fixed several small bugs and inconsistencies with SORTAV
and its GUI
(d) The dynamic menus sometimes caused the program to crash
with Windows NT/2000/XP. This was due to a bug in the
Salford library SALFLIBC.DLL which has been present for years.
It is now fixed, but as a work-around I introduced a new item
in the WINGX.INI file called UseDynamicMenus, which should be
set to "no" if you wish to use the new system for supplying
filenames (I actually prefer it).
By default, UseDynamicMenus=yes. This option can also be set
from the WinGX Preferences Dialog Box. If you wish to use the
dynamic menus, there is an instant "refresh" of these menus
available under File-System.
(e) A more recent version of CAMERON is used which fixes a few bugs
(f) The history facility now stores the compound name as wel as the
folder
New facilities
(a) HKL Tool - a new program to analyse reflection data and assign
a space group (written from scratch). The program uses dynamic
memory and can read an arbitary number of reflections (only
limited by the available memory).
(b) Backup facility. If the appropriate checkbox on the SHELX
preferences is set (File-System-Preferences) then each time
SHELXL97 is run, a backup copy of the RES file will be saved
to subdirectory "backup". A new menu item on the Refine menu
will then appear, allowing the user to restore any selected
backup to name.INS.
(c) LIST FOLDER now uses the WindowsExplorer so it is possible to
delete/copy/rename files using this system facility. The
previous menu items under File menu COPY/RENAME are thus now
superfluous and have been removed.
(d) The Space group Tool (previously SPGR_INFO) cann now be used
to change the equivalent positions in the name.INS file and the
spacegroup information in STRUCT.CIF
(e) SHELXD GUI has been slightly modified to allow for the twinning
instructions. The ability to solve ab initio structures from
twinned data is a major improvement.
(f) WinGX can autodetect the installations of CRYSTALS, JANA2000 and
the CCDC's graphics program Mercury. Menu items for these programs
are added automatically.
(g) The interface between WinGX and Platon is changed to simplify
usage. The chosen input file is always copied to the file
PLATON.INPUT and the current reflection file to PLATON.HKL.
All output files therefore have the prefix "PLATON.*" and may
be deleted automatically (Preferences menu)
(h) Program manuals are now all supplied as PDF files. These
require the free Adobe Acrobat Viewer (links provided).
(i) Some useful weblinks have been added to the main menu.
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-----------------------
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 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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