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
To run PROPLOT-NMR, enter:
proplot_nmr coordinate_file [ranges-file]
coordinate_file is the name of the PDB file containing
your protein structure, or ensemble of structures, and should contain the full
path unless your structure is in the default directory. For example
[ranges-file] is the name of an (optional) file specifying
which models and residue ranges are to be included in the plots (see Selecting model- and residue-ranges).
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.