This program uses a pdb and topology file to calculate 3J couplings and NOE’s.  This calculation is approximate because only a single frame is used and with the 1/r^6 approximation for the NOE calculation.  There are additional improvements to be added soon such as the inclusion of STD NOE’s and output of 2d NOESY spectra […]

  This program uses Amber trajectories to calculate average 3J couplings.  It also produces histograms of 3-bond torsion angles from -180 to 180 degrees from the trajectories.  There are several types of options that the program can use. How to obtain the program This program uses Amber trajectories to calculate average 3J couplings.  It also […]

This is a package that calculates spin-spin and spin-lattice relaxation rates from trajectories.  This program can be used for well-sampled trajectories such as small molecules, and also with large molecules such as proteins and in not so well sampled trajectories.  In the latter case the ‘sphere’ approximation is used in which an artificial tumbling is […]

This software uses rdc, chemical shift, and noe measurements. It also uses chemical shift and noe predictions. The program can use any number of media, e.g. peg, phage. The program uses a genetic algorithm to find the matching of measurements to residues. There is additional documentation in the Assign_SLP_1.12. There are two related programs, MD2NOE_Protein […]