Manipulate and analyze 3-D structural geometry of Protein Data Bank (PDB) files.
Compas: Conformational manipulations of protein atomic structures This R package provides some useful functions for performing common operations on protein structures represented in PDB (Protein Data Bank) format. Key features provided: - Energy evaluation of a conformation using the DFIRE potential - Fast RMSD calculations between two PDB conformations - Cartesian coordinate calculations for 3-D positions of individual atoms and entire amino acid side chains