version 1.c

Our new program ORIEL computes residual dipolar couplings for macromolecular structures taken from a PDB file, following the procedure published in: M.X. Fernandes, P. Bernadó, M. Pons and J. García de la Torre, "An analytical solution to the problem of orientation of rigid particles by planar obstacles. Application to membrane systems and to the calculation of dipolar couplings in NMR spectroscopy", Journal of the American Chemical Society, 123, 12037-12047 (2001).

ORIEL executables for various platforms and related files are available:

ORIEL oriel1c-msd.exe Executable for MS Windows9x/NT/DOS ORIEL, version 1c
ORIEL oriel1c-sgi.exe Executable for SGI IRIX-6.5 ORIEL, version 1c
ORIEL oriel1c-dec.exe Executable for DEC Digital UnixV4.0C ORIEL, version 1c
ORIEL oriel1c-lnx.exe Executable for Linux RedHat 7.1 ORIEL, version 1c
ORIEL modeldat.txt ascii Example of input file for ORIEL
ORIEL 1khm_1.pdb ascii PDB file used in the example
ORIEL kh3_results.txt ascii Output file produced by the sample calculation
ORIEL oriel1c.pdf PDF User Guide for ORIEL
ORIEL 143jac01.pdf Adobe PDF Article in J. Am. Chem. Soc.
ORIEL suppmater.pdf Adobe PDF Supplementary material
ORIEL postpubli02.doc MS Word Post-publication Notes

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