Re: "The unnumbered spin name 'H' already exists." -- January 31, 2013 - 18:21

Hi,

That's a strange one!  I'll have to look at it tomorrow as I'm currently waiting to board a plane at Lyon airport.

Cheers,

Edward

On Thursday, 31 January 2013, Martin Ballaschk wrote:

Hi Edward,

I have a strange problem (relax 2.1.2 @ Mac/Linux):

* 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()

Now I get a very strange error message:
"RelaxError: The unnumbered spin name 'H' already exists."

But I didn't load a single proton before and there also is none in the PDB file?

What do you think, what is going on?

Kind Regards,
Martin
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