Difference between revisions of "Grace write"
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= Manual = | = Manual = | ||
[http://www.nmr-relax.com/api/2.2/ For API, see generic_fns.grace] and [http://www.nmr-relax.com/manual/grace_write.html online manual]. | [http://www.nmr-relax.com/api/2.2/ For API, see generic_fns.grace] and [http://www.nmr-relax.com/manual/grace_write.html online manual]. | ||
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if not os.path.isdir(OUT): os.makedirs(OUT) | 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) | 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) | ||
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</source> | </source> | ||
| + | == In the GUI == | ||
| + | In the menu select {{menu|User functions (a-m)|grace|write}} <br> | ||
| + | Leave <code>The spin ID string</code> empty, to get <code>spin_id=None</code>. Fill in as above. | ||
| − | + | = See also = | |
[[Category:Results]] | [[Category:Results]] | ||
[[Category:User_functions]] | [[Category:User_functions]] | ||
Latest revision as of 16:24, 18 November 2015
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 the GUI
In the menu select User functions (a-m) → grace → write
Leave The spin ID string empty, to get spin_id=None. Fill in as above.
