URL: <http://gna.org/bugs/?19717> Summary: relax_fit.py: write.grace, deselect.read parameters Project: relax Submitted by: mab Submitted on: Mon 07 May 2012 09:19:50 AM GMT Category: relax sample scripts Severity: 3 - Normal Priority: 5 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Originator Email: Open/Closed: Open Discussion Lock: Any Release: 1.3.15 Operating System: Mac OS X (Intel) _______________________________________________________ Details: I noticed that in the sample script relax_fit.py some parameters need to be updated: * in write.grace: y_data_type needs to be 'intensities' instead of 'int', otherwise relax complains * deselect.read needs the res_num_col specified, otherwise relax complains: "RelaxError: The identifier '' corresponds to more than a single spin in the 'rx' data pipe." All of this can be found via the help function however. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?19717> _______________________________________________ Message sent via/by Gna! http://gna.org/