Difference between revisions of "Loop spin grace write"
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(Created page with "== Loop over spins, write a grace intensity file == Open the '''results.bz2''' file. <source lang="python"> from pipe_control.mol_res_spin import return_spin, spin_loop for s...") |
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Open the '''results.bz2''' file. | Open the '''results.bz2''' file. | ||
<source lang="python"> | <source lang="python"> | ||
| + | state.load(state='results.bz2') | ||
| + | |||
from pipe_control.mol_res_spin import return_spin, spin_loop | from pipe_control.mol_res_spin import return_spin, spin_loop | ||
Revision as of 11:45, 12 February 2014
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)
