If you do not see any data functions in the Data function chart when creating a Lead Discovery ChemCharts visualization, you need to configure the ScriptSync preference.
Open the Tools>Administration manager and select a group and navigate to ScriptSync>ScriptSyncPreferences:
Select 'Repositories' and click on 'Edit' to add repositories with the following settings:
DataFxns
https://github.com/Glysade/DataFxns
DataFxnPylib
https://github.com/Glysade/DataFxnPylib
This will add data functions to the Lead Discovery ChemCharts that you can use, for example 'ToSmiles' that calculates canonical smiles.
When adding the preference, you need to restart the Spotfire clients to get the updated settings and it might take a few minutes for the synchronization to complete.
These steps are also described in the attached documentation.
Comments
0 comments
Article is closed for comments.