Difference between revisions of "Loop spin grace write"
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== Loop over spins, write a grace intensity file == | == Loop over spins, write a grace intensity file == | ||
Open the '''results.bz2''' file. | Open the '''results.bz2''' file. | ||
Latest revision as of 15:07, 15 October 2015
| This article is a stub. Please help to improve the relax wiki by expanding the article. |
Loop over spins, write a grace intensity file
Open the results.bz2 file.
state.load(state='results.bz2')
from pipe_control.mol_res_spin import return_spin, spin_loop
for spin, spin_id in spin_loop(return_id=True):
nr = spin_id.split("@")[0].split(":")[1]
grace.write(x_data_type='relax_times', y_data_type='intensities', spin_id=spin_id, plot_data='value', file='%s.agr'%(nr), dir=None, force=True, norm=False)
