| 19 Dec |
Relibase+ 2.0 released
The CCDC is pleased to announce the release of version 2.0 of Relibase+, our
program for easy retrieval of protein-ligand complexes. Please refer to the
Relibase+ page of our website
for further information.
|
| 2 Dec |
2006 version of the CSD System released.
|
| 2 Dec |
Mercury 1.4.1 released
Mercury 1.4.1 can be downloaded for free, for bona fide research purposes, from the
Mercury page of our website.
|
| 4 Nov |
Chem. Comm. 40th Anniversary Article published
The 40th anniversaries of the RSC's Chemical Communications and the CCDC both occur in 2005.
The CCDC has contributed a 40th Anniversary article: "Librarians, Crystal Structures and Drug
Design", which has just been published in Issue 41 (2005) as Chem. Commun., 5135-5140, 2005,
and can be accessed subscribers to the journal at
http://www.rsc.org/Publishing/Journals/CC/article.asp?doi=b511106b.
|
| 23 Sept |
A new enhanced version of enCIFer, for CIF checking, editing and visualisation, has been released
enCIFer 1.2 features the ability to display displacement ellipsoids and can be downloaded for free (for bona fide research purposes) from the
enCIFer page of our website.
Further information about enCIFer may also be obtained there.
|
| 9 Sept |
Professor Guy Orpen (Bristol) selected by the Royal Society of Chemistry for their CCDC-sponsored award in Structural Chemistry for 2004
The CCDC sponsors the triennial Royal Society of Chemistry Award in Structural
Chemistry. The RSC Awards Committee have made the award for 2004 to Professor
A. Guy Orpen, Head of the School of Chemistry at the University of Bristol.
The citation reads:
"Distinguished for his structural systematics studies of metal complexes, in
particular in collaboration with the Cambridge Crystallographic Data Centre,
that have made a truly major impact on the chemistry community worldwide.
His applications of these results to new synthetic chemistry are a compelling
and exciting approach for systematically harnessing structural chemistry data."
|
| 5 Sept |
CCDC/IUCr Poster Prizes awarded at XX IUCr Congress in Florence
CCDC poster prizes are awarded to younger scientists for their work in chemical
crystallography. A panel of distinguished judges chaired by IUCr Executive
Committee Member Professor Iris Torriani (Brazil) selected the three winners,
and awards were presented at the Closing Ceremony by CCDC Research Manager,
Dr Sam Motherwell:
- A. R. Choudhury, University of Liverpool, UK
- B. Dittrich, University of Western Australia, Perth, Australia
- A. Budzianowski, AMU, Poznan, Poland
|
| 1 Sept |
GOLD v3.0 released
We are pleased to announce the release of version 3.0 of our protein-ligand
docking software GOLD. This version includes many new features and improvements
and can be downloaded from the Protected Downloads page of our website.
Please note that you will require a user name and password to be able to
download the software.
|
| 16 Aug |
New version of the CCDC's free WebCite database launched.
A new version of the WebCite database of research applications of CCDC products was posted to the CCDC's public website
on 16 August 2005
WebCite is now held in a MySQL database and each entry is now classified into one or more of 24 new subject categories,
some of which are further subdivided. Searchability of WebCite is considerably improved and a search Help document is
available.
Importantly, digital object identifiers (DOIs) are now present as a clickable link for the vast majority of WebCite
entries. The DOI links a WebCite entry to the corresponding electronic literature entry for users having the necessary
journal access protocols.
Please click on
http://www.ccdc.cam.ac.uk/free_services/webcite/ for free access the new system.
Any comments or queries should be referred to support@ccdc.cam.ac.uk.
|
| 13 June |
Mercury 1.4 released
The CCDC is pleased to announce the release of version 1.4 of Mercury. Mercury 1.4
features the ability to display displacement ellipsoids (please note that displacement
ellipsoids can be displayed for CIFs or SHELX res files which contain Uequiv or Uij values only).
In addition, registered CSD System users can view Bravais, Friedel, Donnay and Harker (BFDH)
theoretical crystal morphologies.
Mercury 1.4 can be downloaded for free, for bona fide research purposes, from the
Mercury page of our website.
|
| 10 May |
New Chair and Vice-Chair of CCDC Governors appointed.
Professor Carolyn P. Brock, Professor of Chemistry at the University of Kentucky, Lexington, KY, USA
will Chair the CCDC Board of Governors from May 2005 until May 2007. Dr William G. Town, an expert
in chemical information and President of Kilmorie Consulting, London, UK will serves as Vice-Chairman
for the same period.
|
| 5 May |
CCDC paper is most highly cited ever in JCICS.
The ACS Journal of Chemical Information and Computer Sciences (JCICS) is changing its name from 2005
(to Journal of Chemical Information and Molecular Modeling). During a talk at the Spring 2005 ACS
Meeting, Wendy Warr (JCICS Editorial Board) noted that the most highly cited paper ever in JCICS
was a CCDC contribution. Further research found that this paper currently has more than 950 citations:
The development of versions 3 and 4 of the Cambridge Structural Database system.
F. H. Allen, J. E. Davies, J. J. Galloy, O. Johnson, O. Kennard, C. F. Macrae, E. M. Mitchell,
G. F. Mitchell, J. M. Smith, D. G. Watson, J. Chem. Inf. Comp. Sci., 31, 187-204, 1991.
|
| 1 May |
CCDC 40th Anniversary newsletters have appeared.
The 40th Anniversary of the CCDC is featured on the cover of the Newsletter of the International Union of
Crystallography, together with an associated news article (Vol. 13, No. 1, pp 23-24). This issue is
available on the IUCr News Page
and will appear shortly on the IUCr homepage.
Articles have also appeared in the Spring 2005 Newsletters of the British Crystallographic
Association (Crystallography News, No. 92, pp 6-8) and of the American Crystallographic Association
(No. 1, pp 22-24). The latter should appear shortly on the ACA Website.
|
| 12 April |
CCDC/BCA Prize Winner Announced.
The CCDC/BCA Prize for 2005 has been awarded to Dr Anders Markvardsen of the
Rutherford Appleton Laboratory. Dr Markvardsen was selected to receive the
annual CCDC-sponsored prize for younger scientists by the Chemical
Crystallography Group of the BCA. The prize was presented by Dr Frank Allen at
the BCA Spring Meeting in Loughborough on 12 April, followed by the prize-winner's
lecture.
|
| 11 March |
Relibase+ 1.3 released.
The CCDC is pleased to announce the release of version 1.3 of Relibase+, our program for
easy retrieval of protein-ligand complexes. Relibase+ 1.3 features, amongst other things, CavBase,
a program for detecting unexpected similarities amongst protein cavities (e.g. active sites). Please refer to
the Relibase page of our website for further information.
|
| 6 January |
GOLD version 2.2 released.
The CCDC is pleased to announce the release of version 2.2 of our
protein-ligand docking program GOLD. This version of GOLD can be downloaded from the Protected Downloads page
of our website. Please note that you will require a user name and password to be able to download the software.
|
| 6 January |
Version 1.3 of Mercury has been released and can be downloaded for free from
the Mercury page of our website.
|
