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