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Cambridge Structural Database (CSD)

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The Cambridge Structural Database (CSD) is a collection of over 1,000,000 small-molecule organic and organometallic crystal structures that can be visualised and downloaded. Access to CSD is restricted to UK academics, who must log in to PSDI using their institutional account.

There are three ways that you can access CSD through PSDI:

  • PSDI Cross Data Search Service
  • WebCSD online interface
  • CSD Remote Desktop

See the following sections for more information on how you can use each method.

You can choose whether to search just CSD using the PSDI Cross Data Search service, or you can perform your search across multiple databases including CSD.

You must first log in to PSDI to search CSD:

  1. Click the link to go to the Cross Data Search service.
  2. At the top right corner of the screen, click the Login button.
  3. The Sign in page is displayed, from here you can log-in by clicking on the UK Institutional Sign in button and following the instructions.

To add CSD to a Find a Substance search:

  1. Ensure the Find a Substance tab is selected at the top of the the Cross Data Search service.
  2. Click the Select data sources to search button to display the Select data sources. By default all data sources are selected.
  3. Optional: Untick the boxes next to any data sources you do not want to include in your search. If you only want to search the CSD you can click the None button to deselect all the data sources and tick just Cambridge Structural Database.
  4. Click the X in the top-right corner of the Select data sources dialog to close it.

Once you have entered your search parameters you can click the Search button, and only the selected data sources will be searched. See Searching for a Substance, for more information on how to use Cross Data Search to find substances.

Using the WebCSD interface​

WebCSD is a browser-based interface for accessing CSD data. This service is freely accessible to users on UK academic networks.

Follow the link to the WebCSD search interface.

You will be prompted to log on to PSDI with your institutional email address. You may also be asked to agree to additional terms and conditions from CCDC before you can access the data.

You can find out more about WebCSD on the CCDC website.

Using the CSD Remote Desktop​

PSDI provides access to a Remote Desktop computer with various software packages that can be used to query CSD data. If you are a UK academic and require CSD Remote Desktop access, you will need to make a request for an account. Our support team will send you a separate username and password valid for CSD Remote Desktop.

Remote desktop accounts are activated for a period of 6-months at a time to ensure that all users are still legitimate UK academics and have the correct permission to access the data sources.

Software available on the CSD Remote​

The following software is provided for use on the CSD Remote Desktop:

SoftwareDescriptionLinks
ConquestFor searching and retrieving CSD dataConQuest
MercuryA range of 3D structure visualisation toolsMercury
MogulPreferred molecular geometries within the CSDMogul
PreQuestFor building in-house crystallographic databasesNo link available because this software is now deprecated.

Accessing the CSD Remote Desktop​

You will need to request access to the CSD Remote Desktop. As part of this process you will be asked to accept terms and conditions from CCDC. You will then be provided with a separate username and password that will enable you to access the Remote Desktop.

How you access the CSD Remote Desktop is dependant on your operating system, see the following table for recommendations:

WindowsLinuxApple OS X
The Remote Desktop Connection application can be found in the Windows Accessories folder or you can find it by clicking on the Windows Search button and searching for remote desktop.There are a number of free remote desktop clients available for Linux, for example: rdesktop and FreeRDP.There are a number of different Remote Desktop Applications available for Apple OS X, including an official app from Microsoft: Windows App mobile.

Changing your CSD Remote Desktop password​

To change your CSD Remote Desktop password you must be logged into the CSD Remote Desktop. Your new password must contain a mixture of upper and lowercase, letters and numbers and at least one non-alphanumeric character:

  • On Windows:
  1. Press the Ctrl+Alt+End keys.
  2. When prompted enter your old and new password.
  • On Apple OS X:
  1. Click the Windows Start button at the bottom left and search for change your password to open Accounts > Sign-in options in the Windows Settings application.
  2. Expand the Password section and click the Change button. You may be asked to verify your identity.
  3. Enter your current and new passwords in the Change you password dialog box.
  4. Click Next and follow the instructions.

Resetting your CSD Remote Desktop password​

If you need a password reset for your CSD Remote Desktop account, contact us.

Why is my CSD Remote Desktop access not working?​

If you have previously accessed remote desktop and are now getting a message saying that your password has expired, this means that your 6 month access limit has expired. Contact us to reactivate your account.

What to do next​

Related links:

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