MFsim

MFsim

MFsim is an open Java all-in-one rich-client computing environment for mesoscopic simulation (published on GitHub) with Jdpd as its default simulation kernel for Molecular Fragment (Dissipative Particle) Dynamics. The new environment integrates and supports the complete preparation-simulation-evaluation triad of a mesoscopic simulation task. Productive highlights are a SPICES molecular structure editor, a PDB-to-SPICES parser for particle-based peptide/protein representations, a support of polymer definitions, a compartment editor for complex simulation box start configurations, interactive and flexible simulation box views including analytics, simulation movie generation or animated diagrams. As an open project, MFsim enables customized extensions for different fields of research.