| 19 Nov |
GOLD interface in Chemical Computing Group's MOE
An interface to GOLD has been released as part of CCG's Molecular Operating Environment (MOE) software package. The integration technology will be available in the 2009.10 version of MOE.
Click here for press release
|
| 18 Nov |
2010 version of the CSD System released.
CCDC are pleased to announce the 2010 release of the CSD System. This release of
the database contains over 490,000 structures and many improvements and new
features have been incorporated into the software.
Further details of new features can be found
here.
|
| 18 Nov |
Online CIF deposition scheme released
CCDC is pleased to announce that a web-based online submission form for
depositing CIF files is now available. The new form can be accessed at
https://www.ccdc.cam.ac.uk/services/structure_deposit
|
| 8 Sep |
Fifth Crystal Structure Blind Tests
CCDC is pleased to announce that a Fifth
Structure Prediction Blind Test is now being organised. Structure predictions will commence in
November 2009 with final submissions of predicted structures due August 2010.
Research groups intersted in participating or donating crystal structures for structure prediction
should contact David Bardwell at bardwell@ccdc.cam.ac.uk for further details.
.
|
| 23 Jul |
WebCSD v1.0 released
CCDC is pleased to announce the release of WebCSD - the online search interface to the Cambridge Structural Database.
For information, visit:
www.ccdc.cam.ac.uk/products/csd_system/webcsd/
|
| 14 May |
New version of the GOLD Suite released
CCDC is pleased to announce the latest release of the GOLD Suite, featuring Hermes 1.3, GOLD 4.1 and
GoldMine 1.2. New features, modifications and bug fixes in Hermes, GOLD and GoldMine are detailed in
the GOLD Suite release notes.
The version of Hermes released with the GOLD Suite is compatible with SuperStar 2.0 and Relibase+ 3.0.
|
| 28 Apr |
New paper on Materials module of Mercury published
A paper entitled Analysis of 50 Crystal Structures Containing Carbamazepine Using
the Materials Module of Mercury CSD has been published:
S. L. Childs, P. A. Wood, N. Rodríguez-Hornedo, L. S. Reddy, and
K. I. Hardcastle
J. Cryst. Growth Des., 9, 1869-1888, 2009
[DOI: 10.1021/cg801056c]
|
| 5 Mar |
Symposium to mark the retirement of Frank Allen
A symposium to mark the retirement of Frank Allen
as Executive Director of the
CCDC will run on Thursday 23rd & Friday 24th April following the BCA Annual
Spring Meeting
from 21st to 23rd April 2009 at the University of Loughborough.
More details can be found at
http://www.crystallography-meetings.org.uk/documents/FASymposium.doc
|
| 27 Feb |
One of the most accessed papers in J. Chem. Inf. Model. in 2008 makes use of the CSD to inform the design of conformationally stable drug candidate molecules!
One of 2008's most accessed papers in J. Chem. Inf. Model. is the following article:
Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis
K. A. Brameld, B. Kuhn,D. C. Reuter, M. Stahl, J. Chem. Inf. Model., 48, 1–24, 2008.
[DOI: 10.1021/ci7002494]
The authors conclude:
"We have shown that the CSD is a relevant and rich source
of information on the conformational preferences of druglike
organic molecules." and "...very specific substructure searches in
the CSD can help to arrive at a better understanding of
conformational space.".
|
| 23 Feb |
Overwhelming response to the CSD User Survey!
The deadline for the CSD User Survey has now passed. About 525 responses were
received, from CSD users worldwide. The results are currently being analysed
and all the comments and suggestions considered. The data provides us with
comprehensive feedback on the current CSD and on possible future enhancements.
A prize draw for respondents has been held:
Victoria Landry, Columbia University, USA wins an i-Pod Touch
and Louise Price, UCL, UK and Alfredo Mayall Simas, UFPE, Brazil
both win i-Pod Nanos
Congratulations to them and thanks to everyone who took the time to fill in the questionnaire.
|
| 15 Jan |
New GOLD case studies.
Two new GOLD case studies have been added to our website. Links to both reports
are provided on the Case Studies
page of our website.
|
| 15 Jan |
CSD statistics at 1 January 2009 are now available on the
Statistics page of our website.
|
