Hello everyone,

 I’m reaching out to ask for some help with Materials Studio 2023 (MS23).

I’m working with a large set of COF structures (.xsd files) and would like to run Forcite Anneal in an automated/batch manner. I can set all the annealing parameters correctly in the MS23 GUI, but I’m not sure how to write a reliable MaterialsScript (Perl) batch annealing script that can loop through many .xsd files, run Anneal, and save the outputs (e.g., the anneal trajectory and the final structure).

If anyone has a working example script, recommended workflow, or tips specific to MS23 (especially for batch processing and exporting results), I would really appreciate your guidance.

Thank you very much for your time and help!

Best regards