Hello Carlos
thanks for your kindly reply. I think the cif file ( GLC_mon_lib.cif ) is only
for one glucose molecule, it can not regulate the bond between two glucose
units, that is why they break apart in the real space refinement.
in the pdb file , different glucoses are different molecules, I do not know
how to generate a cif file to give regulation on bond between glucose units. If
we can make this cif file , is it the same as GLC_mon_lib.cif?
Thanks a lot for you help .
Yours
Lei
> Date: Wed, 5 Nov 2008 17:23:58 -0600> From: [EMAIL PROTECTED]> To: [EMAIL
> PROTECTED]> Subject: Re: [ccp4bb] sugar ligand refinement in coot> > Lei,> >
> If your cif file isn't complete, you can load your pdb GLC in Sketcher in
> ccp4 suite and generate a cif file. When you have your cif, import your cif
> file inside coot.> > Carlos> > >>> lei feng <[EMAIL PROTECTED]> 11/05/08 4:08
> PM >>>> > hello everyone> > can anyone help me with sugar ( say
> maltoheptaose) refinement in coot?> > I use the pdb file with " GLC " name ,
> it always breaks apart into discountinuous glucose when I try to use real
> space refinement , I believe that is because there is no restraint with
> regarding to bond , whatever in cif file. > > I know I could give it a unique
> name , say G7 and substitute the " GLC "it in the pdb file, make a new cif
> file and refine it , it will not break apart again. But , when I deposit the
> structure in the future , it is allowed? It seems everyone working with sugar
> ligands are using " GLC" . how did they work in refinement ?> > Thanks for
> any suggestion. > > lei Feng>
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