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[sdpd] RIET: Updated WinGX and GUI WinORTEP for MS-Windows by Louis Farrugia
(as WinGX and Louis's other software can be very useful for powder
diffraction applications - this is being posted here as well)
There are new updates of the WinGX single crystal suite
Version 1.64.02 (May 7th, 2001) and GUI WinORTEP (v 1.071)
structure drawing and plotting software by Louis Farrugia.
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WinGX Issues fixed include:
(a) bug-fix in routine Create CIF. Both versions 1.64.00 and
1.64.01 had a bug which gave a very non-standard output CIF
with a ' ' instead of '.' for looped items. While this CIF
was syntactically correct, it was not logically so and gave
error flags with the CIF checking routines in PLATON.
(b) WTANAL - number of reflections allowed has been increased
to 1.25 million to avoid array overflows.
(c) FOURIER - bug-fix in writing file for MCubesELD program
with 3D-map option.
(d) the routine which reads the license file has been modified
to alleviate problems with line-wrapping.
(e) bug-fix in SMART-SAINT import GUI.
(f) bug-fix in PROFIT/DREAR-Convert CAD4 reading CAD4 files.
(g) bug-fix in SIR92/97 GUI. Minor revamping of Solve menu.
Use of version 1.04 of SIR97 is recommended
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GUI WinORTEP Issues fixed include:
(a) bug fix in routine which reads Fullprof files
(b) routine which reads the license file has been modified
to alleviate problems with line wrapping.
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WinGX and GUI WinORTEP starting page:
WinGX mainpage:
http://www.chem.gla.ac.uk/~louis/software/
CCP14 Mirrors:
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/
GUI WinORTEP mainpage:
http://www.chem.gla.ac.uk/~louis/software/
CCP14 Mirrors:
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/
CCP14 based tutorial runthroughs:
http://www.ccp14.ac.uk/tutorial/wingx/
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WinGX and GUI WinORTEP Licence page (recent licence files will
still work with the new updates):
(The software is freely available to Academics, students and
not-for-profit researchers)
At Louis Farrugia's homepage:
http://www.chem.gla.ac.uk/~louis/software/licenseform.html
UK CCP14 mirror:
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/licensefor
m.html
Canadian CCP14 Mirror:
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/licensef
orm.html
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To use Shelx and Sir92/97 within WinGX you must already be a
registered of these software packages:
Shelx
http://shelx.uni-ac.gwdg.de/SHELX/
Sir92/Sir97
http://area.ba.cnr.it/IRMEC/SirWare_main.html
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Other software available via the WinGX webarea includes:
A windows port of Ton Spek's PLATON:
(This version is updated frequently)
http://www.chem.gla.ac.uk/~louis/software/platon/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/platon/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/platon/
A windows port of the DIRDIF:
(the crystal structure solution package of Paul Beurskens
and coworkers.)
http://www.chem.gla.ac.uk/~louis/software/dirdif/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/dirdif/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/dirdif/
GUI Win STRUPLO
(Program to produce polyhedral plots of Inorganic crystal
structures. An MS-Windows version of STRUVIR by Armel LeBail)
http://www.chem.gla.ac.uk/~louis/software/struplo/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/struplo/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/struplo/
THMA14c for PC
(TLS Thermal Motion Analysis program of Ken Trueblood and Emily
Maverick. This is the latest version of the program)
http://www.chem.gla.ac.uk/~louis/software/thma14/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/thma14/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/thma14/
IUCr VALIDATE (A program to validate a CIF against the test
criteria used by the IUCr)
http://www.chem.gla.ac.uk/~louis/software/iucrval/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/iucrval/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/iucrval/
CROMER (A Windows program to calculate anomalous dispersion
and absorption coefficients for arbitary X-ray wavelengths)
http://www.chem.gla.ac.uk/~louis/software/cromer/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/cromer/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/cromer/
CIF2SX (included in WinGX)
(Converts a CIF file to SHELX files (one for each data_ block))
http://www.chem.gla.ac.uk/~louis/software/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/
LAUE (included in WinGX)
(Calculates R(int) values from a SHELX .HKL file for all Laue classes)
http://www.chem.gla.ac.uk/~louis/software/
http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/
http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/
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Lachlan.
-----------------------
Lachlan M. D. Cranswick
Geochemistry - Lamont-Doherty Earth Observatory, Columbia University
PO Box 1000, 61 Route 9W Palisades, New York 10964-1000 USA
Tel: (845) 365-8662 Fax: (845) 365-8155
E-mail: lachlan...@ldeo.columbia.edu WWW: http://www.ldeo.columbia.edu
CCP14 Xtal Software Website: http://www.ccp14.ac.uk
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