Difference between revisions of "Grace write"

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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)
 
+
</source>
 
== In gui ==
 
== In gui ==
 
User functions (a-m) -> write
 
User functions (a-m) -> write
 
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.
 
</source>
 
  
 
== See also ==
 
== See also ==
 
[[Category:Results]]
 
[[Category:Results]]
 
[[Category:User_functions]]
 
[[Category:User_functions]]

Revision as of 09:39, 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) -> write Leave "The spin ID string" empty, to get spin_id=None. Fill in as above.

See also