| 4 Dec |
2008 version of the CSD System released.
CCDC are pleased to announce the 2008 release of the CSD System. This release of the
database contains almost 425,000 structures and many improvements and new features have been
incorporated into the software, including a Materials module in Mercury CSD 2.0. This module
enables you to:
- identify interaction motifs that occur between particular functional groups and determine their relative abundance
- find similar packing arrangements to atoms selected in the loaded crystal structure
- calculate crystal packing similarity between structures containing the same compound to establish to what extent the structures share the crystal form
Further details of new features, modifications and bug fixes can be found in the
2008 release notes.
|
| 16 Oct |
Gmelin-Beilstein Medal of the GDCh awarded to Dr Olga Kennard.
The 2007 Gmelin-Beilstein Medal of the German Chemical Society (GDCh)
has been awarded to Dr Olga Kennard OBE FRS, founding Director of the
CCDC, for her career contributions to chemical informatics. The medal
and the recipients lecture will be presented at the
Third German Conference
on Chemical Informatics to be held in Goslar on 11-13 November 2007.
|
| 27 Aug |
CCDC Poster Prizes at ECM Marrakech awarded to younger scientists from Spain, South Africa and the USA.
|
| 24 Aug |
CCDC paper in top ten in CrystEngComm access statistics
The paper:
Space group selection for crystal structure prediction of solvates.
A. J. Cruz Cabeza, E. Pidcock, G. M. Day, W. D. S. Motherwell and W. Jones,
CrystEngComm, 9, 556-560, 2007,
[DOI: 10.1039/b702073b].
was one of the top ten most accessed papers in CrystEngComm in July 2007,
with 260 accesses. All of the authors are at the CCDC or the Pfizer Institute
for Pharmaceutical Materials Science in the Department of Chemistry at the University of Cambridge.
|
| 2 Aug |
GoldMine 1.0 released.
CCDC are delighted to announce the release of GoldMine 1.0. GoldMine suceeds SILVER, a tool
for post-processing docking results. Please refer to the GoldMine
page of our website for further details. Note that a certain number of GoldMine user licences are
usually provided as part of the GOLD software package; extra licences may be purchased in addition.
|
| 2 Aug |
GOLD 3.2 released.
CCDC are happy to announce the release of GOLD 3.2. The new version of
GOLD contains several new features which include the Astex Statistical Potential (ASP) scoring function and
an option for generating diverse solutions. The release also contains modifications and bug fixes that are
detailed in the GOLD release notes.
|
| 21 May |
Relibase+ 2.2 released.
CCDC are pleased to announce the release of Relibase+ 2.2, a tool for search, retrieval and analysis
of protein-ligand structures and binding sites. Notices concerning this and subsequent releases, in addition to
a full list of new features, modifications
and bug fixes, can be found in the release notes.
|
| 23 April |
Motherwell Symposium at British Crystallographic Association Meeting.
Dr Sam Motherwell, who retired as the CCDC's Research Manager on 31 December 2006,
was honoured by the BCA at a scientific
symposium and dinner during their 2007
Spring Meeting (17-20 April) at the University of Kent at Canterbury.
Twelve speakers presented talks on areas of crystallography and structural science
allied to Sam's research interests (click here to see the program).
|
| 5 Mar |
SuperStar 1.5.3 released. Please see the release notes for further details.
|
| 20 Feb |
DASH tutorial 1 is available in Japanese.
DASH tutorial 1 has been translated into Japanese by our Japanese associates,
JAICI, and is available from the
documentation page of our website.
|
| 5 Feb |
CCDC Prize for younger scientists 2007 to Andy Parkin
The Chemical Crystallography Group of the BCA have announced the award of the
CCDC Prize for younger scientists for 2007 to Dr Andrew Parkin of Glasgow
University. Dr Parkin's award recognises his work on hydrogen bonding and the
use of multivariate analysis in structure comparison. The Prize Lecture will
be given at the BCA Spring Meeting in Canterbury on 19 April 2007.
|
| 1 Feb |
Astex Diverse Set for docking validation available for download
The test set described in Diverse, High-Quality Test Set for the Validation of Protein-Ligand Docking Performance,
M. J. Hartshorn et al, J. Med. Chem., ASAP (DOI:10.1021/jm061277y) is now available for download from the
Astex Diverse Set page of our website.
|
| 24 Jan |
Mercury 1.4.2 released
Mercury 1.4.2 can be downloaded for free, for bona fide research purposes, from the
Mercury page of our website.
|
| 11 Jan |
CSD statistics at 1 January 2007 now available on the Statistics page of our website.
|
| 2 Jan |
In late December 2006, the 400,000th entry was archived to the Cambridge Structural Database.
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