Introduction

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Biopolymer Object Oriented Library (Biopool)

The Biopool class implementation follows the composite design pattern and for a complete description of the class hierarchy we recommend to see the [Doxygen documentation]. Without going into implementation details a Protein object is just a container for vectors representing chains. Each vector has 2 elements: the Spacer and the Ligand Set. The Spacer is the container for AminoAcid objects whereas the LigandSet is a container for all other molecules and ions, including DNA/RNA chains. Ultimately all molecules, both in the Spacer and in the LigandSet are collections of Atom objects. The main feature in Biopool is that each AminoAcid object in the Spacer is connected to its neighbours by means of one rotational vector plus one translational vector.


BiopoolDiagram.jpg


This implementation make easy the modification of the protein structure and lot of functions were implemented to modify/perturbate/transformate the residue relative position in an efficient way, rotation and Translation vectors.


LOop Build-up and Optimization (Lobo)

Energy functions implementation