Classes

Welcome to Classes, the native object module detailing MolSysMT’s core Python data containers and declarative dictionary schemas.

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Contents

• MolSys
  The native unified molecular system class composing topology, structures, and molecular mechanics contracts.

• MolSysBuilder
  The editable native container for incrementally constructing and modifying molecular models.

• MolSysDict
  The declarative, serializable dictionary representation of a complete molecular system.

• Topology
  The native topology data structure managing atom inventories, residue groups, and chemical state attributes.

• TopologyDict
  The declarative, serializable dictionary representation of molecular topology.

• Structures
  The native structures data container storing 3D atomic coordinates, periodic boxes, and trajectory frames.

• StructuresDict
  The declarative, serializable dictionary representation of structural and trajectory data.

• MolecularMechanics
  The native molecular mechanics object managing force field terms, partial charges, masses, and energy parameters.

• MolecularMechanicsDict
  The declarative, serializable dictionary representation of molecular mechanics parameters.

• ViewerJSON
  The lightweight, JSON-serializable graphics representation for 3D visualization and web renderers.