Third Party#

MolSysMT provides specialized interoperability bridges, custom simulation forces, hardware platform diagnostics, and advanced 3D visualizers for third-party molecular modeling packages.

Package / Ecosystem

Description

NGLView

Interoperability bridges, custom visualizers, geometric shapes, and contact/hbond renderers for NGLView

OpenMM

Custom external forces, custom trajectory reporters, and platform bridges for OpenMM

tLEaP

AmberTools tLEaP automation and isolated script execution wrapper