[phenixbb] define acetyl-methionine for coot and phenix
nwmoriarty at lbl.gov
Fri Sep 20 13:15:44 PDT 2013
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.
On Fri, Sep 20, 2013 at 12:06 PM, Ursula Schulze-Gahmen <
uschulze-gahmen at lbl.gov> 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 Schulze-Gahmen, Ph.D.
> Assistant Researcher
> UC Berkeley, QB3
> 356 Stanley Hall #3220
> Berkeley, CA 94720-3220
> phenixbb mailing list
> phenixbb at phenix-online.org
Nigel W. Moriarty
Building 64R0246B, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : NWMoriarty at LBL.gov
Fax : 510-486-5909 Web : CCI.LBL.gov
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