Thanks Nigel,
All I need now is a cif file for acetyl-methionine. How do I get to this?
And should the cif file be for the free amino acid or for the residue in
the peptide chain?
Ursula
On Fri, Sep 20, 2013 at 1:15 PM, Nigel Moriarty
To have the refinement link the residues you should use the parameter intra_chain=True and check the bonds in the .geo file.
Paul Emsley will likely answer that Coot question.
Nigel
On Fri, Sep 20, 2013 at 12:06 PM, Ursula Schulze-Gahmen < [email protected]> wrote:
I am trying to include a N-terminal acetylated methionine in my model. I replaced my methionine with a AME residue from the pdb data bank and included a link command to connect the C from AME with the N of the second residue. The AME is defined as HETATM. When I try to regularize this structure in Coot it doesn't recognize that the 1. and 2. residue should stay connected. What or how do I need to define this residue or the connection so that I can model in Coot and refine in Phenix?
Ursula -- Ursula Schulze-Gahmen, Ph.D. Assistant Researcher UC Berkeley, QB3 356 Stanley Hall #3220 Berkeley, CA 94720-3220 _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Nigel W. Moriarty Building 64R0246B, Physical Biosciences Division Lawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Email : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov
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-- Ursula Schulze-Gahmen, Ph.D. Assistant Researcher UC Berkeley, QB3 356 Stanley Hall #3220 Berkeley, CA 94720-3220