Archive of the CCP14
website developmentWednesday 12th February 2020 Crysfire_2020 - The original implementation of Crysfire by the late Robin Shirley
used MSDOS features extensively which now is a major restriction on usage today. The
8 indexing programs have been modified slightly, and recompiled using gfortran. With
a control program written in Tcl/tk there are now similar versions for Windows, Linux
and Macintosh systems.
Friday 20th June VESTA, a new 3D visualisation software for structural models and electron/nuclear densities has just been released. VESTA runs on Windows, Mac OS X and Linux and it is free for non-commercial use. It supports a multitude of file formats for input and output, though no direct Pov-Ray output. Further information and to download can be found at this website.
Friday 10th May 2008 Andrew Wills has released an updated version of VaList. It is a tool for Bond Valence Calculation and Listing. Running Windows it performs the calculations using bond information generated by FullProf (*.out), GSAS (Disang), the ICSD (*.cgi) and in CIF form. Notable features include the ability to refine the occupancies and oxidation states of mixed sites. Please visit the websiteTuesday 11th March 2008 Renie Birkedal has kindly produced a Rigid Body Guide for GSAS. This guide shows a short cut for inputting a rigid body for larger molecules. Download the PDF. The GSAS homepage has been updated to include a rigid body sub menu.
Wednesday 27th February 2008
Sorry about disruption to services. There was a power failure the night of 26/02/08
Alexey Nikitin has released the Ascalaph program series for quantum chemistry and molecular modeling. Follow this link Ascalph for more information. Alexey's releases are listed under CCP14 program repositoryThursday 10th January 2008 Services are running as normal.
Sunday 6th January 2008 Please be aware that the CCP14 server will be closed down for a number of hours whilst we carry out maintenance. Hopefully this should be no more than 24 hours. However, the CCP14 wiki site will be removed. An alternative will be sought in the near future.
Tuesday 13th November 2007  A new version of GSAS has been released for Windows, Mac OSX 10.4, and Fedora Core 5. Please go to the GSAS home page to download the latest versions - GSAS. To see the new changes made please refer to GSASnews.Please contact Bob von Dreele with any bugs, errors and features you find with the latest edition
Friday 28th September 2007  A new version of GSAS has been released for Windows, Mac OSX 10.4, Red Hat Enterprise and Fedora Core 5. Please go to the GSAS home page to download the latest versions - GSAS. To see the new changes made please refer to GSASnewsWednesday 8th August 2007  Two projects have been
recently updated: SARAh and diffpy
SARAh for magnetic structure analysis can
now be downloaded from the website http://www.chem.ucl.ac.uk/people/wills/index.html. SARAh
contains two programs: SARAh Representational Analysis to calculate allowed
magnetic structures, and the result is then used in SARAh Refine which plugs
into GSAS and Fullprof to refine the magnetic diffraction data. Please contact
Andrew Wills for further
information. A brief summary of the project is listed under downloads.
The new version of GSAS is available for the Mac OSX 10.4 Intel - from the CCP14 GSAS homepage. To view the most recent GSAS news follow this link GSAS news. This GSAS version for Mac OSX 10.4 Intel is beta, please email Bob von Dreele with any problems found with the software.
Installation instructions are provided at the CCP14 GSAS homepage. The X11 packages will have to be installed beforehand and it is recommended to install Brian Toby's GSAS+EXPGUI Mac OSX 10.4 Intel version first. Then install the new Mac OSX 10.4 Intel gsaskit to replace the GSAS executables. Both programs can be downloaded from the CCP14 GSAS homepage. A summary of changes and requirements are listed at this link gsasMacOSX10_4Intel
Monday 18th June 2007
The launch of WikiCCP14!! It is still very much at an early stage, but is now up and running. Please feel free to make your contributions, in particular for tutorials, examples and installation instructions for crystallographic software. We weclome any contribution to help those in the field of crystallography. WikiCCP14
A new version of GSAS is available for both Windows and Linux - GSAS homepage. To view the new changes refer to the web page, GSAS updates
Monday 11th June 2007
The launch of the WikiCCP14!! It is still very much at an early stage, and please wait until it is up and running. Please make your contributions, in particular for tutorials, examples and installation instructions for crystallographic software, though any contribution to help those in the field of crystallography is most welcome. WikiCCP14
The Reverse Monte-Carlo suite of programs has moved to ISIS and CCP14 provides links to this new project, RMC. This suite of programs is geared towards modelling the structures of disordered materials from many experimental techniques. The contact for this project is Matt Tucker
Thursday 3rd May 2007
A new version of GSAS is available for Windows and Fedora-5 (Linux). New version for Mac OSX and Red Hat Enterprise will follow soon... GSAS
GSAS updates are:
A new record in the .EXP file has been defined: HSTnn NFOBS the number of observed reflections for each phase in a histogram.
REFLIST now can prepare a hkl file suitable for the protein software CNS.
Thursday 26th April 2007
The BCA spring meeting was held last week at
the University of Kent, Canterbury. At the meeting Sir Roger Penrose delivered a fine Bragg lecture entitled "Quasi-Crystals and Non-local Assembly: A Quantum-Theory foundations issue?" Explaining the origins and showing experimental realisations of his tiling, building up his arguments to discuss some fundamental tenets of Quantum theory.
Friday 9th March 2007Further Improvements and tidying of the website. Please feel free to email
me, email@example.com, with any views or
suggestions you would like to see for the CCP14 website.
Friday 16th February 2007
Bob Von Dreele has uploaded the latest version of GSAS for both Windows
and Linux. The Linux version now matches the Windows version. Click on the links
to either read about
the new changes
here or to download
Jose Espeso has kindly supplied a format conversion program from XY to
GSAS for Mac OS, Linux and Windows called
XY2GSAS. Feel free to email the author firstname.lastname@example.org for any help or to report problems.
Reminder: a good general purpose X-ray conversion program is Mark Bowden's ConvX especially useful for converting Bruker RAW data into GSAS, XY, etc - Windows only.
Wednesday 7th February 2007UCL undergraduate students taking Jeremy's course wishing to download
Rietica, please click on this link . The UK-1 link on the original Rietica website
http://www.rietica.org/download.htm has been redirected.
Thursday 1st February 2007The front webpage will be changed shortly to reflect the new logo for the
CCP14 website. Friday 26th January 2007The following links have been added to the Crystallography
Databases link on the home page.
Jeremy Cockcroft's Hypertext Book of Space Groups
An EPSRC funded project at Durham University providing a web resource
for structures with Z ' > 1