Difference between revisions of "Grace write"

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(→‎In gui: Better formatting of the section.)
 
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__TOC__
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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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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)
 
</source>
 
</source>
== In gui ==
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== In the GUI ==
User functions (a-m) -> write
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In the menu select {{menu|User functions (a-m)|grace|write}} <br>
Leave "The spin ID string" empty, to get spin_id=None. Fill in as above.
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Leave <code>The spin ID string</code> empty, to get <code>spin_id=None</code>. Fill in as above.
  
== See also ==
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= 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.

See also