Class Forms#

In-memory object and container forms supported across MolSysMT native containers and third-party libraries.

Supported Libraries and Containers#

Library / Category

Description

MolSysMT

Native MolSysMT container classes and handlers

OpenMM

OpenMM topology, system, and simulation classes

MDTraj

MDTraj trajectory, topology, and file objects

MDAnalysis

MDAnalysis Universe and topology classes

ParmEd

ParmEd structure and topology classes

PyTraj

PyTraj trajectory and topology objects

Biopython

Biopython PDBStructure and sequence objects

OpenFF

OpenFF Molecule and Topology objects

RDKit

RDKit Mol objects

Viewers

3D interactive visualization viewer instances

Others

Array, graph, and external container objects