How to run PROPLOT-NMR

The PROPLOT-NMR script runs just the plotting programs that generate the output PostScript files. It skips the programs that calculate the data, and so is much faster than running PROCHECK-NMR all over again. (Of course, the calculation programs need to have been run once before so that all the required data files are present).

The script is particularly useful if you want to regenerate some, or all, of the plots, perhaps with different plot parameters in the procheck_nmr.prm file (see Customizing the PROCHECK-NMR plots). To run PROPLOT-NMR, enter:


If you have run AQUA with the same coordinate_file, then PROPLOT-NMR will plot analyses of the restraint violations in your models. Otherwise, it will merely plot its analyses of the geometry of the structures in the ensemble.