A popular feature at CCDC exhibition stands is our CSD leaderboard competition - where we try to generate a bit of (friendly!) competition amongst visitors by calculating a score for them based on their CSD entries.

The script is run directly from Mercury; the Mercury menu CSD Python API > Options... will allow you to add a location to store additional custom scripts such as this, the scripts will then become available from the main CSD Python API menu.

When the script is run a pop-up will prompt you to enter an author name - this should be in the normal CSD format (initials and surname) to ensure the maximum number of hits are found.

The script will then present some statistics of your CSD entries and calculate a score based on the 'completeness' of the entries e.g. the number of colours and melting points etc. present. The script will also open a Data Analysis window to allow further investigation of the structures found.

Hopefully the script should be a useful example of CSD searching via the Mercury API interface, and of course allow you to check your own CSD Completeness score!

 

 

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