Note that the messages from the relax GUI if you update from 4.1.0 to 4.1.1 are
a little different, and more informative. There was a [bug fixed in
4.1.1](https://sourceforge.net/p/nmr-relax/tickets/4/) causing the GUI to not
display all content. I can reproduce the issue and I see:
```
relax>
structure.read_pdb(file='/data/relax/relax/test_suite/shared_data/structures/1RTE_trunc_#1.pdb',
dir=None, read_mol=None, set_mol_name=None, read_model=None,
set_model_num=None, alt_loc=None, verbosity=1, merge=False)
Internal relax PDB parser.
Opening the file
'/data/relax/relax/test_suite/shared_data/structures/1RTE_trunc_#1.pdb' for
reading.
RelaxWarning: The following atom numbers from the CONECT records cannot be
found within the ATOM and HETATM records: [662, 1651].
Adding molecule '1RTE_trunc_#1_mol1' (from the original molecule number 1).
relax> structure.load_spins(spin_id='@N', from_mols=None, mol_name_target=None,
ave_pos=True, spin_num=True)
Adding the following spins to the relax data store.
Traceback (most recent call last):
File "/data/relax/relax/gui/interpreter.py", line 306, in run
fn(*args, **kwds)
File "/data/relax/relax/pipe_control/structure/main.py", line 953, in
load_spins
spin_cont.pos = pos
AttributeError: 'NoneType' object has no attribute 'pos'
Traceback (most recent call last):
File "/usr/lib64/python2.7/site-packages/wx-3.0-gtk2/wx/_core.py", line
16762, in <lambda>
lambda event: event.callable(*event.args, **event.kw) )
File "/data/relax/relax/gui/spin_viewer/frame.py", line 192, in refresh_safe
self.tree_panel.update()
File "/data/relax/relax/gui/spin_viewer/tree.py", line 919, in update
self.update_mol(mol, mol_id)
File "/data/relax/relax/gui/spin_viewer/tree.py", line 965, in update_mol
'select': is_mol_selected(mol_id)
File "/data/relax/relax/pipe_control/selection.py", line 373, in
is_mol_selected
for spin in spin_loop(selection):
File "/data/relax/relax/pipe_control/mol_res_spin.py", line 3832, in spin_loop
select_obj = Selection(selection)
File "/data/relax/relax/lib/selection.py", line 396, in __init__
mol_token, res_token, spin_token = tokenise(select_string)
File "/data/relax/relax/lib/selection.py", line 191, in tokenise
raise RelaxError("Invalid molecule selection '%s'." % mol_info)
lib.errors.RelaxError: RelaxError: Invalid molecule selection
'#1RTE_trunc_#1_mol1'.
```
---
** [tickets:#12] Error message upon loading PDB file - NEW**
**Status:** open
**Created:** Fri Mar 08, 2019 02:59 PM UTC by Stefano Ciurli
**Last Updated:** Fri Mar 08, 2019 02:59 PM UTC
**Owner:** Edward d'Auvergne
**Attachments:**
-
[NewRelaxBug.jpg](https://sourceforge.net/p/nmr-relax/tickets/12/attachment/NewRelaxBug.jpg)
(90.9 kB; image/jpeg)
Hello, it seems that the problem of loading the spins from a PDB file has not
been fully resolved. Please help.
SC
---
Sent from sourceforge.net because [email protected] is
subscribed to https://sourceforge.net/p/nmr-relax/tickets/
To unsubscribe from further messages, a project admin can change settings at
https://sourceforge.net/p/nmr-relax/admin/tickets/options. Or, if this is a
mailing list, you can unsubscribe from the mailing list._______________________________________________
nmr-relax-devel mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/nmr-relax-devel
