Yes, that can happen. Sorry there isn't a tutorial yet. But, it's
pretty simple. Use the "remove" command in tleap to remove the acetyl
group. Then adjust the charge on the N so that the overall charge is
correct. Then, add the sulfate.
On Mon, Aug 26, 2013 at 1:22 PM, lara lara <lara.4884.gmail.com> wrote:
> Dear Amber !
>
> I am using the Glycam_06 parameter set in the Xleap to
> generate the GAG sequence .
>
> I am interested in sulfating the residues, earlier I mailed regarding
> sulfating the 2nd position of the Iduronic acid. I got help and understood.
>
> Now , I have a better reading of Glycam, I am not able to see the N -
> sulphated in the case of the ( N - acetyl glucosamine)
>
> It gives a list of sequence , 0YA, 1YA, ....QYA ( for no sulfation ,
> position 1 sulfation ....position 3,4,6 sulfations) how to do 2 nd position
> sulfated with glycam ?
>
> is it possible to do it ? , please let me know if there is any residue type
> !
>
> thank you
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--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Mon Aug 26 2013 - 12:30:02 PDT
