Monthly Archives: April 2016

Summary of main classes

GMML Main Classes MolecularModeling This contains the classes that make up the central data structure (CDS). It contains classes for atoms, residues (list of atoms), and assemblies (list of atoms). As you can see, our core unit is an atom. In OOP-speak, our atom class is a child of multiple parent classes including qmAtom, dockingatom, […]

Monosaccharide Naming Tables

The code used by these tables is documented here. ┬áNote that the tables only contain ‘D’ sugars. ┬áTo generate the ‘L’ sugars, merely swap all the ‘up’ and ‘down’ components so that they are their opposite. Table of monosaccharides Table of derivatives