Understanding & Creating BTCL Scripts, Introduction

This tutorial illustrates the various pieces needed to construct a conformational analysis script and then leads you through the construction of such a script.

The main topics covered in this lesson include:

The use of subsets and atom specifications.
Defining BTCL procedures.
Basic use of the molGeom and restraint commands.
Using what you've learned in earlier sections of this lesson to write your own BTCL script.

Additional topics include:

Accessing archive files.
Use of some TCL list-manipulation commands.
Creating and comparing different conformations of a molecule.
Storing only certain conformations--those that are sufficiently different from the original conformation.
Rotating a molecule about a statistically determined axis

Lesson on understanding & creating BTCL scripts, Instructions

(The lesson is divided into several segments, so there are several annotated example files, which are linked to from the appropriate sections of the lesson.)

Main access page

Advanced-Use (BTCL) access.

BTCL - Tutorial Access