Difference between revisions of "Grace write"
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[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]. | ||
Revision as of 13:34, 15 October 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 gui
User functions (a-m) -> grace -> write
Leave "The spin ID string" empty, to get spin_id=None. Fill in as above.
