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
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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>
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