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3. How to run NUCPLOT
We recommend running NUCPLOT outside the nucplot/ and hbplus/ directories.
To run NUCPLOT on a structure for the first time, simply type:
This runs a script which automatically executes the HBADD, HBPLUS and NUCPLOT
programs in turn to produce the plot.
For subsequent runs of NUCPLOT on the same structure (eg. after
changing the parameters to alter the appearance of the plot - see
below), simply type:
This runs the NUCPLOT program only and cuts down on the processing
time taken for running HBADD and HBPLUS. The *.hb2 and *.nb2 files
for the structure must be placed in the same directory as the one
in which you are running NUCPLOT
This script may also be used if you wish to supply your own list of
hydrogen bonds and non bonded contacts.
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