Grace write

Manual

For API, see generic_fns.grace and online manual.

In relax prompt

import os
OUT = os.path.join(os.getcwd(),'final')
if not os.path.isdir(OUT): os.makedirs(OUT)
grace.write(x_data_type='res_num', y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', dir=OUT, force=True, norm=False)

In gui

User functions (a-m) -> grace -> write
Leave "The spin ID string" empty, to get spin_id=None. Fill in as above.