Tutorial:Molecular alignments

This is an example on how to align whole structures or parts of structures in MSL. This tutorial explains functions in the Transform object.

This tutorial is in progress, there may be missing example files, source files or bugs in the code.

Complete source of example_molecular_alignment.cpp

In MSL the program alignMolecules utilizes the type of code in this tutorial to structurally align multiple PDB files, given a set of reference atoms.

To compile

% make bin/example_molecular_alignment

To run the program

Go to the main directory and run the command (note, the location of the exampleFiles subdirectory needs to be provided as an argument)

% bin/example_molecular_alignment exampleFiles

Program description

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