Loop spin grace write - Revision history

Bugman: Added the {{stub}} template at the start.

2015-10-15T15:07:33Z

Added the {{stub}} template at the start.

Tlinnet: /* Loop over spins, write a grace intensity file */

2014-02-12T11:45:31Z

Loop over spins, write a grace intensity file

Tlinnet: Created page with "== Loop over spins, write a grace intensity file == Open the '''results.bz2''' file. from pipe_control.mol_res_spin import return_spin, spin_loop for s..."

2014-02-12T11:42:00Z

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..."

New page

== 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 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)
</source>

[[Category:Grace]]

← Older revision		Revision as of 15:07, 15 October 2015
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.

@@ Line 2: / Line 2: @@
 Open the '''results.bz2''' file.
 <source lang="python">
 from pipe_control.mol_res_spin import return_spin, spin_loop