Follow-up Comment #1, bug #20470 (project relax):
The problem is the PDB ATOM record "Alternate location indicator". In the
1OGT PDB entry, there are alternate locations for a few amino acids. The
internal relax PDB parser cannot currently handle this and it sees two
residues. For example for residue 40, this causes the @N extraction to create
two nitrogen spin containers for the single residue. The
sequence.attach_protons user function can then not handle this.
A temporary solution is to use the ScientificPython PDB parser.
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?20470>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://www.nmr-relax.com)
This is the relax-devel mailing list
[email protected]
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel