HydroproReader

Classes

class HydroproReader.HydroproReader(resFile=None)

This class can be used to extract usefule information from a hydropro result file that can be used with ScatDiffusion module from NAMDAnalyzer.

Parameters:resFile – result file as obtained from HydroPro software

readFile(resFile)

Extracts different parameters from hydropro output file using regular expression.

Result is stored in params namedtuple attribute with the following keys:

• temp - temperature used
• solViscosity - solvent viscosity at given temperature
• molWeight - molecular weight of the molecule
• specVol - specific volume
• solDensity - solvent density at given temperature
• dt0 - translational diffusion coefficient
• rg - gyration radius
• dr0 - rotational diffusion coefficient
• sedCoeff - sedimentation coefficient
• rh - hydrodynamic radius