Element#

MolSysMT defines an orthogonal hierarchy of structural element tiers to represent molecular topologies at multiple levels of granularity—from individual atoms to macromolecular chains and distinct chemical entities.

Is element

Validating recognized topological element tiers

Is composed of

Checking structural containment relationships

Atom

Operations for individual atom entities

Group

Operations for residue and functional group entities

Component

Operations for covalently connected polymer components

Molecule

Operations for distinct chemical molecules

Entity

Operations for molecular species and entity definitions

Chain

Operations for structural chains and macromolecular strands