Software

The SYBYL data structure is organized according to atoms (composition, coordinates, and partial atomic charge) and bonds (atom connections and order). Higher levels of organization include "sets" (static, dynamic, and aggregates), "substructures" (monomers), and "features" (e.g. force-field assignments). The data structure explicitly recognizes the major types of biopolymers (Biopolymer option required). Selective operations are performed via a universal "atom expression" selection tool.