Indeed.
The only thing I have to add to this is that after you have your
modified nucleotide, you might like to try the function
(mutate-by-overlap imol chain-id residue-no tlc)
where imol chain-id and residue-no identify the residue that you
want to modify (an adenine, I presume (not 6MP))
tcl is the three-letter-code that you gave to your modified
residue
Note: mutate-by-overlap is designed to work directly with the output of
libcheck/refmac, I have not tried it with what sketcher provides :)
Paul.
Francis E Reyes wrote:
> There are several ways to do this. One way is the monomer library
> sketcher route in CCP4. In CCP4, under the refinement tab load the
> monomer library sketcher. File -> Read File -> Load monomer from
> library. Then search for the ligand or a related ligand using the pop up
> box. If your modified base is part of the chain, make sure to choose
> from the DNA list. The Geometry and coordinates file will be saved when
> you choose your ligand. Then use the monomer library sketcher to make
> substitutions.
> See http://smb.slac.stanford.edu/public/facilities/software/ccp4/examples/tutorial/html/refine-tutorial.html.
>
> Save the PDB using Create Library Description. You may want to choose
> regularize with refmac depending on how the geometries look. In the end,
> I believe it will use idealized geometries for the entire molecule.
>
> Then you can import the mon_lib cif file into coot for regularize and
> real space refine.
>
> Now as for refinement, you'll need to supply the cif file in one form or
> another, but you haven't told us what your refinement program is.
>
> FR
> On Feb 27, 2008, at 1:07 PM, Yu Seon Chung wrote:
>
>> Hi,
>>
>> I am currently working on refining a protein/DNA complex. I am using
>> coot to build my model and
>> am wondering if anyone has any experience in dealing with DNA's with
>> modifications on them? I am
>> working with a N6-methyl-adenine and am having problems with it in
>> coot. In the library, there is a
>> 6MP (6-methylpurine). Could I use that instead and how do I add
>> restraints so I can regularize or real
>> space refine?
>>
>> Thank you,
>> Yu Seon Chung
>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
> gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D
>
> 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D
>
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