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Article ID: 593 - Last Modified:

When the .xpdes file is generated, I would like to export the terms to a .csv file via the command line. Is there a script for this?

All of the XP GlideScore terms displayed in the XP Visualizer table are stored as structure-level properties in the PV file, and could be extracted with $SCHRODINGER/utilities/proplister, or with a Python script. The .xpdes file has information about per-atom contributions to the terms, which would be more difficult to tabulate and interpret.

Keywords: .xpdes, .csv, format, export, proplister, script, Glide

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