Loop spin grace write
Revision as of 11:45, 12 February 2014 by Tlinnet (talk | contribs) (→Loop over spins, write a grace intensity file)
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)