Hi Garib
I think that was the first thing we tried but it gave very poor geometry
for the ACE and also it's giving a VDW outlier for the ACE C - MET N bond.
So it looks like it's not recognising the link.
Cheers
-- Ian
On 14 February 2014 11:51, Garib Murshudov wrote:
> Hi Ian
>
> dod you tr
Hi Ian
dod you try without link and standard ACE atom naming. Refmac should be able to
deal N-terminal activation and few other things. At least it was the intention
when it was written. Bugs may have been (self)introduced to prevent this from
happening. If it is so then I would like to know.
Hi Evgeny
Thanks a lot for responding. It's a nice idea but sadly it doesn't work.
For sure it makes the acetyl group planar at what was the A0-A1 link (now a
single AME residue), but the amide group at the A1-A2 link is now
pyramidal! Presumably now planar link restraints for this link are miss
Hello Ian and ccp4 community,
I think you must use modified residue, N-acetylmethionine with code AME,
instead of LINKR.
May be someone find this mildly useful:
there is a file called mon_lib_list.cif, located in
$CCP4/lib/data/monomers/list/
If you are not sure about particular residue modific
All, I'm having problems refining a structure with an N-terminal acetylated
MET residue. I'm trying it with both Refmac & Buster. Buster works fine &
gives perfect planar geometry for the ACE-MET linkage. Refmac gives a
pyramidal acetyl group after refinement which to my eyes is wrong (sp2 C
ato
