Supported Applications

HYDRONMR

Description

a program intended for the calculation of NMR relaxation of small, quasirigid macromolecules whose structure, with atomic resolution, is taken from a PDB file of atomic coordinates. HYDRONMR evaluates basic hydrodynamic quantities involved in dynamic NMR in the same fashion as HYDROPRO program, then calculates NMR quantities (T1, T2, NOE, etc) for each residue of a globular protein and reports the translational diffusion coefficient, which is available, among other sources, from some NMR experiments.
Usage
To list all executables provided by HYDRONMR, run: $ sbgrid-list hydronmr
Installation
Use the following command to install this title with the CLI client: $ sbgrid-cli install hydronmr Available operating systems: Linux 64
Primary Citation*

J. G. de l. Torre, M. L. Huertas, and B. Carrasco. 2000. HYDRONMR: Prediction of NMR relaxation of globular proteins from atomic-level structures and hydrodynamic calculations. J Magn Reson. 147(1): 138-146.
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