TurtleMol Published

October 17th, 2024

TurtleMol is an open-source Python package developed to enable the construction of large, complex molecular systems with maximal flexibility. Functioning as a molecular CAD tool, TurtleMol empowers users to generate atomistic models based on fundamental geometric primitives or user-defined 3D mesh files created in modeling programs such as Blender or SolidWorks. Designed for both generality, it supports diverse system architectures—from crystalline solids to disordered fluids. TurtleMol is available on GitHub at TurtleMol and is also accessible as a script plugin within Avogadro2.