URL: <http://gna.org/bugs/?20470> Summary: The unnumbered spin name 'H' already exists. Project: relax Submitted by: bugman Submitted on: Fri 01 Feb 2013 11:47:57 AM GMT Category: relax's source code Severity: 3 - Normal Priority: 5 - Normal Status: None Privacy: Public Assigned to: bugman Originator Name: Originator Email: Open/Closed: Open Discussion Lock: Any Release: 2.2.0 Operating System: All systems _______________________________________________________ Details: This was reported on the relax users mailing list (see http://thread.gmane.org/gmane.science.nmr.relax.user/1387). The following instructions from the post trigger the bug: * create a data pipe inside relax (pipe.create) * get 1OGT.pdb and load by > structure.read_pdb('./1OGT.pdb', read_mol=1) * load amide nitrogens: > structure.load_spins(spin_id='@N', ave_pos=True) * attach protons > sequence.attach_protons() _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?20470> _______________________________________________ Message sent via/by Gna! http://gna.org/