PARArestraints for Xplor-NIH is the complete set of modules which have been developed in order to use paramagnetism-based NMR restraints in protein structure calculations with the program Xplor-NIH. Paramagnetism-based restraints are paramagnetic relaxation enhancements, pseudocontact shifts, residual dipolar couplings due to metal and overall magnetic anisotropy, and cross-correlation between Curie relaxation and nuclear-nuclear dipolar relaxation.

User Manual:

	TUTORIAL (.doc)
	TUTORIAL (.pdf)

A patch has been created, to upgrade Xplor-NIH version 2.9.2 with the new modules:

	Patch file
	Readme file

You can also download the source files :

click here

Here You can find two sample calculations (files updated on 02/03/2004):

click here

When using PARArestraints for Xplor-NIH, please cite:

L. Banci, I. Bertini, G. Cavallaro, A. Giachetti, C. Luchinat, G. Parigi
Paramagnetism-based restraints for Xplor-NIH
Journal of Biomolecular NMR 28: 249-261 (2004)