Patrick Fleming · Tuesday, 25 August 2026, 14:15 – 16:15 · Session 7
Room 101258
HullRad is an algorithm for calculating hydrodynamic properties of a biological macromolecule from a structure file (PDB or mmCIF). It is useful in molecular modeling studies for comparing calculated hydrodynamic properties (sedimentation coefficient, Stokes radius, radius of gyration, translational and rotational diffusion coefficients, intrinsic viscosity, etc.) with the corresponding experimental values. We will discuss how HullRad works; how it separates the contributions of shape and hydration to sedimentation; how it can be used for single structures or in batch mode for thousands of structure files; and how it can be used as a web server or locally with freely downloaded code. Bring your favorite PDB file(s) and we will analyze them in the workshop.