URL: <http://gna.org/bugs/?21863> Summary: grace.write cannot write ref/sat as described in sample script noe.py Project: relax Submitted by: jlec Submitted on: Tue 25 Mar 2014 04:58:19 PM UTC Category: None Specific analysis category: None Priority: 5 - Normal Severity: 3 - Normal Status: None Assigned to: None Originator Name: Originator Email: Open/Closed: Open Release: 3.1.7 Discussion Lock: Any Operating System: GNU/Linux _______________________________________________________ Details: The attached script works fine except for this relax> grace.write(x_data_type='res_num', y_data_type='ref', spin_id=None, plot_data='value', file='600NOEcAMP_ref.agr', dir='grace', force=True, norm=False) Opening the file 'grace/600NOEcAMP_ref.agr' for writing. RelaxWarning: No data could be found, creating an empty file. relax> grace.write(x_data_type='res_num', y_data_type='sat', spin_id=None, plot_data='value', file='600NOEcAMP_sat.agr', dir='grace', force=True, norm=False) Opening the file 'grace/600NOEcAMP_sat.agr' for writing. RelaxWarning: No data could be found, creating an empty file. The NOE plot is fine as the NOE values are _______________________________________________________ File Attachments: ------------------------------------------------------- Date: Tue 25 Mar 2014 04:58:19 PM UTC Name: 600NOEcAMP.py Size: 3kB By: jlec <http://gna.org/bugs/download.php?file_id=20436> _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?21863> _______________________________________________ Message sent via/by Gna! http://gna.org/