URL: <http://gna.org/bugs/?21187> Summary: "NoneType" error message while loading side chain amide protons Project: relax Submitted by: mab Submitted on: Thu 10 Oct 2013 10:17:18 AM GMT Category: relax's source code Severity: 3 - Normal Priority: 5 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Originator Email: Open/Closed: Open Discussion Lock: Any Release: 3.0.0 Operating System: None _______________________________________________________ Details: First, set up you data pipe and read a pdb with already-attached protons (with Trp residues). pipe.create("example", 'mf') structure.read_pdb('molecule.pdb', set_mol_name='my_molecule') Loading backbone N and H works, as well as NE1: structure.load_spins('@N', ave_pos=True) structure.load_spins('@NE1', ave_pos=True) structure.load_spins('@H', ave_pos=True) But loading the side chain amide proton fails: relax> structure.load_spins('@HE1', ave_pos=True) Adding the following spins to the relax data store. Traceback (most recent call last): File "<console>", line 1, in <module> File "/usr/local/Cellar/relax/3.0.0/prompt/uf_objects.py", line 221, in __call__ self._backend(*new_args, **uf_kargs) File "/usr/local/Cellar/relax/3.0.0/pipe_control/structure/main.py", line 608, in load_spins spin_cont.pos = pos AttributeError: 'NoneType' object has no attribute 'pos' _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?21187> _______________________________________________ Message sent via/by Gna! http://gna.org/