synth-dynamics

Time-Resolved Ensemble Generator using Coarse-Grained ENM Langevin Dynamics

synth-dynamics is a fast, simplified molecular dynamics engine designed to generate meaningful conformational trajectories without the overhead of all-atom simulations. It uses the Anisotropic Network Model (ANM) and Langevin dynamics to capture global protein motions.

Contents:

• Usage Guide
  • Installation
  • Running a Simulation
  • Key Components
• API Reference
  • System
  • ForceField
  • Integrator
  • Simulation

Indices and tables

• Index

• Module Index

• Search Page