PURPOSE: Within some .pdb files there is a definition of how to generate the biologically active unit by application of matrices to specific chains. These matrices are automatically loaded into DS and can be manually applied to specific chains using the Structure > Superimpose > Apply Transformation Matrix in order to build the subunits. However, occasionally the active unit may consist of a large number of such subunits and building them using the menu command could be tedious. That is when the attached script can be useful.

The script automates the Apply Transformation Matrix command (from Structure > Superimpose > Apply Transformation Matrix) for a series of BIOMT transformations. The user specifies the range of indices (starting from 1) for the BIOMT matrices. For example, this script could be used on 1rvf.pdb which contains 60 matrices.

USAGE: From the DS Client: From the Files Explorer, double-click on the ApplyMultiBIOMTtransforms.pl to launch the script or right-click on the file and select Open With | Script Window then launch the script using the Run command from the Scripting toolbar.

REQUIREMENTS: This script will run on the most recently viewed Molecule Window.  It assumes the Molecule contains already defined BIOMT matrices. The user specifies the last index and the script will run through all matrices from 1 to that last index.

*** adjustable parameters are found after line 41 of the script.

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DISCLAIMER: This custom script is compatible with Discovery Studio 3.1. It is provided "as is" and is NOT supported by Accelrys nor is it warranted for any purpose whatsoever. The user assumes responsibility for any malfunctions or bugs.