[phenixbb] define acetyl-methionine for coot and phenix
uschulze-gahmen at lbl.gov
Fri Sep 20 15:22:05 PDT 2013
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?
On Fri, Sep 20, 2013 at 1:15 PM, Nigel Moriarty <nwmoriarty at lbl.gov> wrote:
> 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
> phenixbb mailing list
> phenixbb at phenix-online.org
Ursula Schulze-Gahmen, Ph.D.
UC Berkeley, QB3
356 Stanley Hall #3220
Berkeley, CA 94720-3220
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