XPLOR-NIH

XPLOR-NIH is a structure determination program which builds on the X-PLOR v 3.851 program, including additional tools developed at the NIH. These tools include functionality for the following:

1. •3J couplings
   

2. •1J couplings
   

3. •13C shifts
   

4. •1H shifts
   

5. •T1/T2
   

6. •dipolar couplings
   

7. •radius of gyration
   

8. •CSA
   

9. •conformational database torsion angle potentials
   

10. •database base-base positioning potentials for DNA
    

11. •interface to the NMR graphics package VMD-XPLOR
    

12. •embedded Python and TCL interpreters.

Principal citations:

C.D. Schwieters, J.J. Kuszewski, N. Tjandra and G.M. Clore, "The Xplor-NIH NMR Molecular Structure Determination Package," J. Magn. Res., 160, 66-74 (2003).

C.D. Schwieters, J.J. Kuszewski, and G.M. Clore, "Using Xplor-NIH for NMR molecular structure determination," Progr. NMR Spectroscopy 48, 47-62 (2006).

Structure determination, molecular simulation, energy minimization