Difference between revisions of "Grace write"
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| − | + | = 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]. | ||
| − | === | + | == r2eff == |
| + | == In relax prompt == | ||
<source lang="python"> | <source lang="python"> | ||
import os | import os | ||
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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) | ||
| + | |||
| + | == In gui == | ||
| + | User functions (a-m) -> write | ||
| + | Leave "The spin ID string" empty, to get spin_id=None. Fill in as above. | ||
</source> | </source> | ||
Revision as of 09:32, 17 June 2013
Contents
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) -> write
Leave "The spin ID string" empty, to get spin_id=None. Fill in as above.
