HYDROPRO

Version7c, December 2005

 

J. Garcia de la Torre, M.L. Huertas and B. Carrasco, "Calculation of hydrodynamic properties of globular proteins from their atomic-level structure. Biophys. J. 78, 719-730 (2000)

HYDROPRO computes the hydrodynamic properties of rigid macromolecules (globular proteins, small nucleic acids, etc) from their atomic-level structure, as specified by the atomic coordinates taken from a PDB file supplied by the user, from which the proper hydrodynamic model is built by the program itself. The HYDROPRO calculation comprises was the basic hydrodynamic properties: translational diffusion coefficient, sedimentation coefficient, intrinsic viscosity, and relaxation times, along with the radius of gyration. Optionally, HYDROPRO computes also other solution properties such as the covolume (related to the second virial coefficient) and scattering related properties such as the angular dependence of scattering intensities and the distribution of intramolecular distances. Beware that we have another similar program – HYDRONMR – for the more specific purpose of calculating quantities relevant in NMR relaxation.

 

For more details, see the HYDROPRO User Guide

 

Files for download:

FILE

TYPE

DESCRIPTION

hydropro.pdf

PDF

Paper on HYDROPRO

hydropro7c.pdf

PDF

User Guide

hydropro7cmsd.exe

Executable

MS DOS/Windows

hydropro7c2lnx.exe

Executable

LINUX

hydropro.dat

ASCII

Sample of main input file

6lyz.pdb

ASCII (PDB)

Sample of coordinates file

lysozyme31.res

ASCII

Results from the above files

lysozyme31.sol

Binary

Input file for SOLPRO

lysozyme31-pri.bea

ASCII (PDB)

Primary model, RasMol

lysozyme31-pri.vrml

ASCII (VRML)

Primary model, VRML-Cortona

summary.txt

ASCII (tabular)

Summary of results, all cases


Return to Computer programs