[phenixbb] a question on NAG-ASN cif file

[Engin Özkan]

Dear Nigel,

Can I please vote in favor of having torsion and chirality restraints 
added to the monomer library for NAG-ASN links? BETA1-4, etc. have them, 
why not NAG-ASN? Something like CNS has for the equivalent B1N in 
"carbohydrate.top". This would really help those of us cursed with 
glycosylation, and would make our unfortunate lives wee bit easier.

Cheers,
Engin

P.S. You may want to resend your post; I didn't receive your attachment.

On 8/28/13 6:54 PM, Nigel Moriarty wrote:
> Fengyun
>
> Supply this file to phenix.refine to retain the chiral. I have been 
> debating adding this to the GeoStd so if it works I'd like to see the 
> result and maybe add it.
>
> Cheers
>
> Nigel
>
>
> On Wed, Aug 28, 2013 at 4:18 PM, <fn1 at rice.edu <mailto:fn1 at rice.edu>> 
> wrote:
>
>     Hi everyone,
>
>     I am refining a glycoprotein model, and I have applied NAG-ASN
>     link to the ASN. But the beta-conformation of NAG could not be
>     retained after refinement for some sites. I read the cif file and
>     find that there are only angle definitions for NAG-ASN. The
>     dihedral and charility information are missing.  Is there a way
>     that I could retain the charility of C1 of NAG?
>
>     Thank you!
>     Fengyun
>
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>
>
>
> -- 
> 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 <http://CCI.LBL.gov>
>
>
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