Article View: sci.techniques.xtallography
Article #110New CRYSFIRE for DOS/Windows Powder Diffraction Indexing Suite
From: Lachlan Cranswick
Date: Tue, 25 Jul 2000 00:00
Date: Tue, 25 Jul 2000 00:00
60 lines
3138 bytes
3138 bytes
There is a new version of CRYSFIRE for DOS/Windows (sequel to Crys2run)
Powder Indexing System by Robin Shirley.
New features include:
i) Self calibration now has the ability to use a sample displacement
option. This is new maths and at the time of release (July 2000)
is unpublished.
ii) New version of Kohl with options to increase the restriction of cells
searched.
iii) A program called "scdist" is included with the example test and data
files for generation of simulated powder patterns including the
option of sample displacement effects.
iv) "udi2crys" - program for Philips UDI peak find data files into
CRYSFIRE CDT format. (already handles Winfit and XFIT formats)
v) "crys2cif" - Convert a Crysfire CDT file into IUCr CIF format.
vi) Various cosmetic changes including minor bug fixes.
vii) Still links into 8 different indexing programs included with
the distribution:
treor, ito, dicvol, taup, kohl, fjzn, lzon and losh
Crysfire Information and Tutorials page:
http://www.ccp14.ac.uk/tutorial/crys/
Crysfire download:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/crys-r-shirley/
Canada: http://ccp14.sims.nrc.ca/ccp/web-mirrors/crys-r-shirley/
Australia: ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/crys-r-shirley/
=================================================================
Also, Chekcell for Windows (part of the LMGP suite Jean Laugier and
Bernard Bochu) links into Crysfire enabling graphical interpretation of
the Crysfire SUM Summary file.
LMGP Suite tutorials page:
http://www.ccp14.ac.uk/tutorial/lmgp/index.html
Chekcell for Windows download:
UK: http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/
Canada: http://ccp14.sims.nrc.ca/ccp/web-mirrors/lmgp-laugier-bochu/
Australia: ftp://ftp.minerals.csiro.au/pub/xtallography/ccp14/ccp/web-mirrors/lmgp-laugier-bochu/
=================================================================
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: l.cranswick@dl.ac.uk Ext: 3703 Room C14
http://www.ccp14.ac.uk
Technical Details
Message-ID:
<l.cranswick.537.06CB91F8@dl.ac.uk>Path:
arc1-ca.pugleaf.net!unknown!not-for-mailShow Full Headers
Complete Article Headers
X-Google-Language: ENGLISH,ASCII-7-bit X-Google-Thread: fcf0b,a75a6325924baba,start X-Google-Attributes: gidfcf0b,public X-Google-Thread: f804b,a75a6325924baba,start X-Google-Attributes: gidf804b,public From: l.cranswick@dl.ac.uk (Lachlan Cranswick) Subject: New CRYSFIRE for DOS/Windows Powder Diffraction Indexing Suite Date: 2000/07/25 Message-ID: <l.cranswick.537.06CB91F8@dl.ac.uk> X-Deja-AN: 650381241 X-Complaints-To: newsmaster@dl.ac.uk X-Trace: mserv2.dl.ac.uk 964491746 18254 148.79.160.252 (25 Jul 2000 02:22:26 GMT) Organization: CCP14 Project, Daresbury Laboratory, UK NNTP-Posting-Date: 25 Jul 2000 02:22:26 GMT Newsgroups: sci.techniques.xtallography,bionet.xtallography