[MMTK] Re: MSE, HETATM

khinsen at cea.fr khinsen at cea.fr
Tue Mar 1 09:22:23 CET 2005


On 28.02.2005, at 18:37, Eric Zollars wrote:

> 	Does MMTK automatically break a peptide chain on a HETATM entry in a  
> PDB file?

Yes.

> I have added selenomethionine (as well as mse_sidechain,
> etc.) to the Groups database, but I am still getting multiple chains  
> for
> chain A.

You also need to call MMTK.Biopolymers.defineAminoAcidResidue() to tell  
the parser that this group is to be treated as a residue inside peptide  
chains. And use ATOM instead of HETATM.

Konrad.
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Konrad Hinsen
Laboratoire Leon Brillouin, CEA Saclay,
91191 Gif-sur-Yvette Cedex, France
Tel.: +33-1 69 08 79 25
Fax: +33-1 69 08 82 61
E-Mail: khinsen at cea.fr
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