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Hi, Neha,


After building sugars, there is an option for "Add Derivative".  After that, click the sugar you want to add sulfate.  Then, choose "Sulfate" as the derivative.  Lastly, choose the position for the sulfate.


Best regards,


Xiao


Xiaocong Wang
Complex Carbohydrate Research Center
The University of Georgia
315 Riverbend Road,
Athens, GA, 30602
Tel: (706) 254-7958
E-mail: [log in to unmask]


________________________________
From: Users of GLYCAM & GLYCAM-Web <[log in to unmask]> on behalf of Neha S. Gandhi <[log in to unmask]>
Sent: Thursday, December 7, 2017 2:48 AM
To: [log in to unmask]
Subject: Re: sulphated glucose tetrasaccharide


Hi Lachele,



The site works =).



I can build the glucose tetrasaccharide. How can I add sulphate groups to it? for example, in case of GAGs we have sulphate substitution, but in this case, I have glucose. I aim to simulate the oligosaccharide in AMBER.



Thanks,

Neha



From: Users of GLYCAM & GLYCAM-Web [mailto:[log in to unmask]] On Behalf Of Lachele Foley
Sent: Thursday, 7 December 2017 5:45 PM
To: [log in to unmask]
Subject: Re: sulphated glucose tetrasaccharide



Site should work now.  Let us know if you have trouble.



http://glycam.org/cb





On Wed, Dec 6, 2017 at 11:50 PM, Naveen Kumar Vasudevan <[log in to unmask]<mailto:[log in to unmask]>> wrote:

You can use the Carbohydrates builder, if its a short chain and add substituent groups to it. The website is down right now, but you can access it soon.  This will give you the pdb file.



===========================================================
Naveen Kumar Vasudevan, Graduate student,
The Xi Research Lab,
Dept. of Chemical Engineering, McMaster University,
JHE- 296, 1280 Main St. W., Hamilton, ON L8S 4L7, Canada<https://maps.google.com/?q=296,+1280+Main+St.+W.,+Hamilton,+ON+L8S+4L7,+Canada&entry=gmail&source=g>
Email: [log in to unmask]<mailto:[log in to unmask]> ; Tel: +1(647) 629-1562<tel:(647)%20629-1562>
===========================================================



From: Neha S. Gandhi<mailto:[log in to unmask]>
Sent: December 6, 2017 11:42 PM
To: [log in to unmask]<mailto:[log in to unmask]>
Subject: sulphated glucose tetrasaccharide



Dear List,



I am working on a molecule with B-D-glucose. The OH groups of glucose are substituted by sulphates. How can I prepare a pdb file and amber topology using GLYCAM?



Many thanks,

Neha



Dr. Neha S. Gandhi  |  Vice-Chancellorís research fellow

School of Mathematical Sciences and Institute for Health and Biomedical Innovations,

Science and Engineering Faculty | Queensland University of Technology

P-Block, Level 7, Gardens Point Campus
ph 3138 7394| email: [log in to unmask]<mailto:[log in to unmask]>
CRICOS No 00213J









--

:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA