Trusted, Bureaucrats
1,382
edits
Changes
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..."
== 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]]
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]]
