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[sdpd] STX:RIET: New version of the WinGX single crystal suite by Louis Farrugia
(as WinGX is also useful to powder diffraction, the Rietveld and SDPD
list are being Cc'd on this)
(apologies that this announcement is a bit belated)
A new version of WinGX Single Crystal suite (1.64.05) 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, Xtal) 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 1.64.05 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/ver164.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/wingx/ver164.html
=========================================
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
=========================================
http://www.chem.gla.ac.uk/~louis/software/wingx/modif.html
Changes over previous version
Many minor bug fixes, including
(a) A major bug, fortunately affecting very few installations
now has a work around. It normally only affects Win98 with
a very fast processor and results in Windows crashing and
then either rebooting automatically or giving the blue
screen. If you have experienced this problem with any of
the programs in WinGX, then set a new environment variable
SALFENVAR in your autoexec.bat file (Win 95/98/ME) or
in System menu of Control Panel (Win NT/2000/XP). The value
should be set to MASK_UNDERFLOW.
e.g. set SALFENVAR=MASK_UNDERFLOW
(a) Fixed problem with DIST calculation in CAMERON
(b) Make -nodirectrendering the default option for Mercury1.1
due to a bug in this program when saving BMP or PNG files
(c) Bugfix for PROFIT and HKL-PROFILES when reading Siemens P4
diffractometer file.
(d) Bugfix for SXGRAPH writing numerical SFAC entries to INS file
(e) The installation program has been changed so that installations
to non-default directories should now work more automatically.
(f) Long names for compound ID should now work (max 80 characters).
Note that the Change Job Dialog box assumes that the compound
ID and sub-directory name are identical.
(g) The GUI for THMA has been extensively modified. It should
provide the user with direct access to virtually all the
facilities in THMA11 and THMA14c, without having to manually
edit the input files. It is now also possible to read atomic
parameters from a CIF file.
(h) Several small bug fixes in SIR92 and associated GUI.
(i) SYMMOL has been updated to the latest version (which includes
several bug fixes)
(j) The interface to the SIR programs has been modified, and an
interface to the new program SIR2002 has been added.
New facilities
(a) The program will automatically look up the WinGX web-site
to determine if a new program version is available, and
allow the user to download the new version. Of course this
will only work if the PC is connected to the Internet. This
is automatically carried out if more than 8 hours have
elapsed since the last time the program was run. It is
possible to switch off this feature (it is switched off by
default), and it is also user selectable from the HELP menu.
(b) On installation, if no prior WINGX.INI file is found, the
program will search your hard drive for all the plug-in
programs currently supported by WinGX
(c) The FFT Fourier program now has a 2D-projection along any
reciprocal cell axis.
(d) Data plots using the DPLOT program of David Hyde. This is
available from http://www.dplot.com for a small fee ($32)
and is an excellent plotting program for 2D and 3D data.
It is available if the .GRF files are registered on your
computer.
(e) Bubble help is available on a few menus. This will be
extended in future releases.
(f) The program CROMER is now provided in the WinGX release
and will no longer be available as a stand-alone program.
(g) It is now possible to run all the absorption corrections
which use PLATON in the NOCHECK mode, whereby errors in
the direction cosines are ignored.
(h) If the environment variable XTALHOME is found to be set,
an installation of the program system XTAL 3.7.2 (or higher)
is assumed. It is then possible to import the SHELX data
into this program system and run several jobs directly from
the GUI. Work is still under way by Doug du Boulay into the
full implementation of this version, but a PRELIMINARY
working version can be downloaded here.
PLEASE NOTE : this version is completely unsupported and
no queries regarding this matter will be answered.
=========================================
-----------------------
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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