This is an enhanced version of the hydrogen bond script available in the scripting examples folder. It reads in structures in a study table and adds new columns to hold the following:

• Number of hydrogen bonds
• Average length of hydrogen bonds
• Min length of hydrogen bonds
• Max length of hydrogen bonds

It has been developed as an aid to analysis of Polymorph results but can, with a little modification, be used on any trajectory once inserted into a study table.

This only uses functionality available in the Materials Visualizer.

Best regards,

Stephen