libRosetta Users Guide

Glossary

Here is a glossary of libRosetta terms for things that may not be obvious.

Abstract class Base class that can't itself be instantiated into objects
Backbone Backbone of a polymer (excluding sidechains)
BackboneUnit Backbone part of a residue (exclude sidechain)
Compound Atom Atom properties tied to its bonded/compound type (CNH2, ...)
Conformation The molecular topology and geometry/positions
Element Atom Atom properties tied to its element type (H, C, ...)
Interface class Lightweight abstract base class with no data or function bodies
Key A named type code/index for lookup of specific objects in a larger component: libRosetta keys are like more powerful enumerators
Option Program option specified on the command line or an options file
Quad TorsionAngle and Tetrad structures of 4 Atoms (or Dots)
Sidechain Sidechain of a residue (excluding backbone): For a protein this includes C-beta and atoms farther out the sidechain and everything that touches them
Tetrad Tetrahedral structure of 4 atoms used for positioning Hydrogens and other "branch" Atoms
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