HullRad Download Code Upload PDB File to Server Reference HullRadSAS
Convex Hull Examples

HullRad is an algorithm for calculating hydrodynamic properties of a macromolcule from a structure file.
It provides "A New Determination of [Hydrated] Molecular Dimensions". 1

HullRad uses a convex hull model to estimate the hydrodynamic volume of a macromolecule.
The above images show convex hull models of two small proteins, human coronavirus glycosylated spike protein, a DNA duplex, and the bacterial 50s ribosomal subunit.

HullRad is FAST!
Try it out - Download the code or upload your PDB or mmCIF file to the server by clicking on a link at the top of the page.

The latest version of HullRad is Version 10.1 (Oct, 2024). If you use the HullRad script locally you should update NOW by clicking on the link at the top of the page.

HullRadSAS is a modified version of HullRad that provides quantitative macromolecular hydration levels in addition to the standard hydrodynamic properties calculated by the original HullRad. HullRadSAS also provides a hydrated radius of gyration for comparison to SAXS data.

You can learn more about HullRadSAS and download the code by clicking on the link at the top of the page.

A more detailed description of HullRad and HullRadSAS is available as a PDF.

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1A nod to Einstein whose PhD thesis title was, "A New Determination of Molecular Dimensions".

What HullRad Gives You

Molecular Mass of the protein (g/mol)
Partial Specific Volume (mL/g) (Anhydrous)
Anhydrous Volume Sphere Radius (Å)
Anhydrous Radius of Gyration (Å) (Note: Compare to SANS, not SAXS)
Maximum Dimension (Å)
Axial Ratio (a/b)
Frictional Ratio (f/f0)
Translational Diffusion Coefficient (cm2/s)
Translational Hydrodynamic Radius (Å) (Stokes Radius)
Sedimentation Coefficient (s)
Intrinsic Viscosity ([η])
Total Hydration (g/g)
Specific Volume of Hydrated Protein (mL/g)
Sedimentation Non-ideality Constant, kS (mL/g)
Diffusion Non-ideality Constant, kD (mL/g)
Excluded Volume Second Virial Coefficient, BEX (mL/g)
Asphericity
Rotational Diffusion Coefficient (s-1)
Rotational Hydrodynamic Radius (Å)
Tumbling Correlation Time, τC (ns)

Patrick Fleming         Karen Fleming

      pat_dot_fleming_at_jhu.edu                         karen_dot_fleming_at_jhu.edu