MemSurfer

MemSurfer computes and analyzes bilayer membrane surfaces from 3D point coordinates to quantify lipid areas, curvatures, and complex membrane geometries for large-scale molecular simulations.

Key Features:

• Versatility Across Simulations: Operates independently of simulation type by processing raw 3D point coordinates directly.
• Robust Computation of Curved Geometries: Employs Delaunay triangulations to compute geometric and topological properties of complex, highly curved membrane surfaces.
• Comprehensive Surface Parameterization: Uses surface parameterizations to compute lipid areas and curvatures and to provide direct access to the membrane surface for analysis of nonstandard properties.

Scientific Applications:

• Membrane curvature and topology analysis: Characterizes curvature and topology of bilayer membranes in large-scale molecular simulations where detailed geometric description is required.
• Local lipid property characterization: Computes local lipid properties such as areas and curvatures to support studies of lipid organization and membrane-associated biological mechanisms.

Methodology:

Processes 3D point coordinates, constructs Delaunay triangulations, and applies surface parameterizations to compute lipid areas and curvatures and to extract the membrane surface.