Pre-recorded Script Lesson, Introduction

In the lesson on using a precoded BTCL script to carry out a complex simulation, you will read a collection of water molecules into the Insight interface, copy them so as to retain a record of their original positions, color the water molecules in the center of the collection differently than the others, and read in and run a precoded BTCL command input file.

The precoded BTCL file defines the central water molecules as having a higher temperature than the others and then performs a dynamics simulation on the entire collection of water molecules.

The main topic directly covered in this lesson is:

Reading a pre-recorded BTCL input file into the Insight interface and running it.

Additional topics include:

Copying molecules and changing their default display characteristics to make the course of a calculation easier to see.
Defining subsets and deleting the definition.
Graphically differentiating between subsets of molecules whose calculation conditions differ.

Topics illustrated by the BTCL statements in the input file include:

Defining BTCL procedures and using their arguments.
Using the echo command (and custom BTCL procedures) to test scripts.
Getting data from a table into an object array.
Selecting a subset of the rows of a table based on the contents of a column.
Using the vector and geometry commands for vector and matrix calculations.
Setting data into a table from an object array.
Automatically invoking a procedure at the beginning of a dynamics command.

Pre-recorded Script Lesson, Instructions

Main access page

Insight UIF access.

Insight UIF - Tutorial access