Difference between revisions of "Grace write"
Jump to navigation
Jump to search
(→In gui) |
|||
| Line 11: | Line 11: | ||
</source> | </source> | ||
== In gui == | == In gui == | ||
| − | User functions (a-m) -> write | + | User functions (a-m) -> grace -> write <br> |
Leave "The spin ID string" empty, to get spin_id=None. Fill in as above. | Leave "The spin ID string" empty, to get spin_id=None. Fill in as above. | ||
Revision as of 09:40, 17 June 2013
Manual
For API, see generic_fns.grace and online manual.
r2eff
In relax prompt
import os
OUT = os.path.join(os.getcwd(),'final')
if not os.path.isdir(OUT): os.makedirs(OUT)
grace.write(x_data_type='res_num', y_data_type='r2eff', spin_id=None, plot_data='value', file='r2eff.agr', dir=OUT, force=True, norm=False)
In gui
User functions (a-m) -> grace -> write
Leave "The spin ID string" empty, to get spin_id=None. Fill in as above.
