CDS News - Cambridge Structural Database System   [updated 25 Mar 2014]

The Cambridge Structural Database (CSD) is a collection of small-molecule organic and organometallic crystal structures. All structures have been analysed using X-ray or neutron diffraction techniques.

The Cambridge Structural Database System is CSD v5.35 (2014 main Release). It includes updates to Feb 2014. The total number of entries is now 694,855

X-Windows components of the CSD have been installed on a CDS server at Daresbury. Access to this implementation is only available to registered users who are logged on within the STFC network domain.
There have been upgrades for Mercury and Mogul

See details below:

Item added 25/03/14

Mercury version 3.3.1. and Mogul 1.6.1. have been installed

Upgraded versions of Mercury and Mogul have been installed on the CDS server. These are available to CDS/DL users who are within the STFC network domain.

For further details check the Mercury and Mogul news pages via the menu bar near the head of this page.

Item added 18/03/14

The 2014 February Update is now available via CrystalWorks

This brings the total number of entries available from all databases within CrystalWorks to 1,089,790.

Item added 11/03/14

The February database update adds 19,566 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.
We will make the new entries available via CrystalWeb & CrystalWorks as soon as we can.

This update also contains the first of the Mogul data library updates Cambridge are releasing this year. It also enriches some of the content of the existing Nov13 update already shipped with the CSD System.

In particular it adds the missing Year/Vol/Page information to the various "As soon as Publishable" (ASAP) entries included in the original Nov 13 Update. New ASAP entries (currently without Year/Vol/Page fields) are included in the Feb14 Update.

Item added 15/02/14

The 2014 CSD Release is now available via CrystalWorks

This brings the total number of entries available from all databases within CrystalWorks to 1,069,430.

Item added 30/01/14

The Cambridge Structural Database v5.35 is now available

The Cambridge Structural Database System is CSD v5.35
(2014 Release with Nov 2013 update).
The total number of entries is now 675,301 including 17,294 new ones (Nov13 update)

CSD component programs are now as follows (all have access to updated data):


There will more details available shortly. Click on the "Links..." menu bar at the head of this Newsfile for fuller information.

The updated data will also be added to CrystalWorks as soon as possible.

Item added 30/05/13

The May database update is now available via CrystalWorks

The latest update is now available via CrystalWorks. This brings the total number of entries available from all databases within CrystalWorks to 897,327.

Item added 28/05/13

The May database update adds 12,811 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.
We will make the new entries available via CrystalWeb & CrystalWorks as soon as we can.

Item added 03/05/13

The February database update is now available via CrystalWorks

The latest update is now available via CrystalWorks. For technical and licensing reasons we are no longer able to support access to CrystalWeb.

Item added 28/03/13

The Feb database update adds 13,610 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.

Item added 27/03/13

The Cambridge Structural Database v5.34 is now available

The Cambridge Structural Database System is CSD v5.34
(2013 Release with Nov 2012 update).
The total number of entries is now 624,927 (Main) plus 6,699 (Nov. update)

CSD component programs are now as follows (all have access to updated data):


There are more details available. Click on the "Links..." menu bar at the head of this Newsfile for fuller information.

Item added 07/09/12

The August update is now available via CrystalWeb and CrystalWorks

Item added 30/08/12

The Aug database update adds 9686 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.
We will make the new entries available via CrystalWeb & CrystalWorks as soon as we can.

Item added 29/05/12

The May database update adds 11,944 new entries and retracts 31 entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.
We will make the new entries available via CrystalWeb & CrystalWorks as soon as we can.

For retraction information, see http://dx.doi.org/10.1107/S1600536811037597

Item added 13/02/12

The February database update adds 16,320 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.
We will make the new entries available via CrystalWeb & CrystalWorks as soon as we can.

Item added 21/12/11

The Cambridge Structural Database v5.33 is now available

The Cambridge Structural Database System is CSD v5.33
(2012 Release with Nov 2011 updates).
The total number of entries is now 577,833 (Main) plus 9,144 (Nov. update)

CSD component programs are now as follows (all have access to updated data):


There are more details available. Click on the "Links..." menu bar at the head of this Newsfile for fuller information.

We plan to have the new entries available via CrystalWeb & CrystalWorks as soon as possible.

Item added 20/10/11

The November update is now available via CrystalWeb and CrystalWorks

Item added 18/10/11

The November database update adds 9,144 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.

LitLink and the new entries

We remind CDS users that LitLink (direct linking to the primary electronic jounals) is available for the networked version of ConQuest provided by the Service (see Item added 20/08/03).

We have added a "LitRef" item to the Access Data menu present on the main CDS webpages. You will, of course, need to be logged on to use this facility (we recommend that you use the Login form on the CDS homepage).

Alternatively you can pick up your LitLink references via the Top Level Display Menu for the CrystalWorks system. There are more details on CrystalWorks webpage and newsfile. Click on the "Links..." menu bar at the head of this Newsfile for fuller information.

Please note that the entries in the November database update can be selected will not be displayed via LitRef or CrystalWorks until processing for the CrystalWeb system is complete.

Please email us with any queries and/or feedback.

Item added 22/08/11

The lastest update is now available via CrystalWeb & CrystalWorks

Item added 17/08/11

The August database update adds 15,834 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.

Item added 20/05/11

The lastest update is now available via CrystalWeb & CrystalWorks

Item added 11/05/11

The May database update adds 14,826 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.

Item added 14/04/11

Mercury has been upgraded

Mercury has been upgraded to version 2.4.5. There is now a data analysis module.

See details about the upgrade via the Mercury News Page. Click on the "Links..." menu bar.

Item added 17/03/11

The lastest update is now available via CrystalWeb & CrystalWorks

Item added 09/03/11

The Feb database update adds 15,459 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.

Item added 27/01/11

Release 5.32 is now available via CrystalWeb

There is also new InchI search capability. There are more details available. Click on the "Links..." menu bar at the head of this Newsfile for fuller information.

Item added 19/01/11

The Cambridge Structural Database v5.32 is now available

The Cambridge Structural Database System is CSD v5.32
(2011 Release with Nov 2010 updates).
The total number of entries is now 531,715

CSD component programs are now as follows (all have access to updated data):


The updated IsoStar client programs are not yet available for download but the existing ones will still run.

We plan to have the new data entries available via CrystalWeb as soon as possible.

Fuller details of new features of all CSD components can be found Click on the "Links..." menu bar at the head of this Newsfile for fuller information.

Item added 06/09/10

The lastest update is now available via CrystalWeb

Item added 31/08/10

The August database update adds 12212 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.

We plan to have the new entries available via CrystalWeb as soon as possible.

Item added 26/05/10

The latest database update is now available via CrystalWeb

Item added 19/05/10

The May database update adds 9533 new entries

The latest data update is now available via ConQuest, Vista/Mercury and QUEST.

Item added 19/05/10

The new Cambridge Structural Database "May 2010" update will be installed today

No disruption is expected but please notify us with any problems seen.

Item added 08/03/10

The lastest update is now available via CrystalWeb

Item added 03/03/10

The February database update adds 7380 new entries

The latest data update has been received and is available via both ConQuest and QUEST.

Important: The Feb10 CSD Update will also flag a number of retractions for some entries in your existing CSD V5.31 database that correspond to the falsified structures in some IUCr papers.

http://www.ccdc.cam.ac.uk/retraction.php

We plan to have the new entries available via CrystalWeb as soon as possible.

Item added 25/11/09

Release 5.31 is now available via CrystalWeb

Item added 20/11/09

Release 5.31 of the CSDS is now available

Release 5.31 of Cambridge Structural Database System has been received
This Release contains the following software components:

   ConQuest 1.12, Mercury 2.3, Vista, PreQuest,
   IsoStar 2.1.1 and Mogul 1.2

For details of upgrades and bugs fixed see the "Archives and links" menu near the head of the page.

Data update in CrystalWeb will follow shortly.




Item added 11/12/08

Release 5.30 of the CSDS is now available

Release 5.30 of Cambridge Structural Database System has been received This Release also contains the following software components:

   ConQuest 1.11, Mercury 2.2, Vista, PreQuest,
   IsoStar 2.1 and Mogul 1.1.3

For details of upgrades and bug fixed see the "Latest Cambridge Release Notes" link near the head of the page.

The 2009 Release can now be accessed via both ConQuest and Quest for users logged in to the CDS server. In addition new software updates for Mogul and Mercury are in place.

We also provide the new version of IsoStar. Data update in CrystalWeb will follow shortly.

Item added 20/10/08

The CCDC has recently launched a User Survey to help determine future developments for the Cambridge Structural Database. They would particularly value responses from as many as possible within the CDS user community.

The survey is not just relevant to practicing crystallographers. The CCDC wishes to obtain opinions from as many general users as possible, to inform decisions on future data content and delivery.

For further details of the survey follow the link:

http://www.ccdc.cam.ac.uk/products/csd/user_survey

The survey has eleven sections, but there is a prize draw. You are automatically entered into the draw if you complete the survey by the 31th December 2008 closing date!




Item added 04/12/07

The latest CSD Full Release is now available via CrystalWeb

Item added 30/11/07

Release 5.29 of Cambridge Structural Database System has been received This Release also contains the following software components:

   ConQuest 1.10, Mercury 2.0, Vista 2.1, PreQuest,
   IsoStar 2.0.1 and Mogul 1.1.2

Note that there appears to be no increase in the number of entries as compare with the previous the total of the previous full Release plus Updates. However, this Release does include data correction and software upgrades. We will add details of these at a later stage.

There are 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 





Item added 17/09/07

The Service has now been transfered to an upgraded server.

We have, however, not transfered the "classic" CSSR command line program in this process. We believe that CSSR has now effectively been superseded by new systems. The same is true for the command line versions of ICSD, CDIF and MDF (CrystMet).




Item added 09/12/06

We have added better links to the Cambridge User Guide & Tutorial material. These are now available under the heading "Training Material" in the top pulldown menu on all CDS webpages.

Item added 01/04/05

The powder diffraction pattern simulation, xtal-3d display, and bond and angle calculation functionality of the ICSD-WWW interface is now available for all entries (including those from the CSD) with co-ordinate data via links on the Hit Display Page of CrystalWeb.




Item added 20/08/03

Direct linking to the primary electronic jounals is available for the networked version of ConQuest provided by the Service. You need a web browser to use our implementation. There is a "LitLink" button available in the Author/Journal results window. When you click this button you will be presented with details on how to access the related LitLink information.

This facility has recently been enhanced. New features include:
     Retention of previously selected entries
     
     Option to display structures using Jmol
     
Reasonably good connectivity is required to access the networked version of ConQuest. This is fine from most university sites. In our experience access via dialup is not possible. Broadband access for home working is good, but the 3-D display facilities may be annoyingly slow. If you find this to be the case we suggest you consider using the Jmol display option mentioned above. Other display options (for instance linking to Mercury mounted on your local workstation) are also being considered.