Difference between revisions of "Loop spin grace write"
Jump to navigation
Jump to search
(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...") |
(Added the {{stub}} template at the start.) |
||
| (One intermediate revision by one other user not shown) | |||
| Line 1: | Line 1: | ||
| + | {{stub}} | ||
| + | |||
== 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. | ||
<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 | ||
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)
