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Scripting in Materials Studio Training

Overview: Scripting in Materials Studio Training

This workshop provides an introduction into the Perl based scripting language with allows access to some of the Visualiser Tools, the Properties Explorer, a range of 3D Atomistic Documents, Study Tables and the Forcite Module (Calculations and Analysis). It is available both on-site and on-line:

  • On-line: 3 hours
  • On-site: 1 day

On completion of the workshop the user will have covered:

  • Understanding of principles of the scripting language.
  • How to work with the scripting editor and how to apply it to
    • Atomistic Documents (.xsd)
    • Collection Documents (.xod)
    • Trajectory Documents (.xtd)
    • Study Tables (.std)
    • Tools
    • Forcite
    • DMol
    • Reflex Tool
  • Writing scripts to draw molecules from scratch, to get information from collection documents, to get information from trajectory documents, to get information from study tables, to move molecules (in a zeolite and over a surface), to set up Forcite calculations and retrieve selected results and some more examples

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