An Open-Source Mesh Generation Platform for Biophysical Modeling Using Realistic Cellular Geometries.
- Author(s): Lee, Christopher T
- Laughlin, Justin G
- Moody, John B
- Amaro, Rommie E
- McCammon, J Andrew
- Holst, Michael
- Rangamani, Padmini
- et al.
Published Web Locationhttps://doi.org/10.1016/j.bpj.2019.11.3400
Advances in imaging methods such as electron microscopy, tomography, and other modalities are enabling high-resolution reconstructions of cellular and organelle geometries. Such advances pave the way for using these geometries for biophysical and mathematical modeling once these data can be represented as a geometric mesh, which, when carefully conditioned, enables the discretization and solution of partial differential equations. In this work, we outline the steps for a naïve user to approach the Geometry-preserving Adaptive MeshER software version 2, a mesh generation code written in C++ designed to convert structural data sets to realistic geometric meshes while preserving the underlying shapes. We present two example cases: 1) mesh generation at the subcellular scale as informed by electron tomography and 2) meshing a protein with a structure from x-ray crystallography. We further demonstrate that the meshes generated by the Geometry-preserving Adaptive MeshER software are suitable for use with numerical methods. Together, this collection of libraries and tools simplifies the process of constructing realistic geometric meshes from structural biology data.