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@datagrok/cddvaultlink

v1.0.5

Published

Integration with CDD Vault registration system

Readme

CDD Vault Link

CDD Vault Link is a package for the Datagrok platform which provides integration with CDD Vault registration system.

To use the plugin you need to be registered in the CDD Vault system and have at least one vault set up. CDD Vault api key should be set in package credentials manager under 'apiKey' key.

To use the application, go to Browse panel -> Apps -> Chem -> CDD Vault. List of all available vaults is opened under CDD Vault tab. Each vault contains several tabs:

  • Protocols - the list of all available protocols for the vault. Protocol metadata is available in the context panel. Protocols tab

  • Collections - the list of all collections associated with your vault.

  • Saved searches - open tab to see the list of all saved searches in your vault. Click any search in the list to open the search results. Saved search

  • Molecules - the list of all available molecules in the vault. Id column contains links to the corresponding molecules in your vault. Molecules tab

  • Search - basic search through you vault containing similarity and diversity searches. Search tab

There is also a tab in the context panel. To use, click or sketch a molecule, and expand the Databases -> CDD Vault context panel on the right: Context panel