Dear Professor,
Yes. Connect your 0XA to the anomeric hydroxil unit to build the all
xylose unit, in tleap you can do:
tleap -s -f leaprc.GLYCAM_06j-1
XYL = sequence { ROH 0XA }
check XYL
saveoff XYL XYL.lib
Greeting,
Hector.
> Hello,
>
> I am trying to simulate xylose inside a protein. So far all my searches of
> a xylose force field in amber yielded a xylose (in various conformations)
> as a unit to be attached to some other molecule. For example 0XA has a C1
> with only one H to be able to connect to another unit through C1.
> Is there a force field for a complete xylose molecule or is there a way to
> add the hydrogen to C1 in a simple way?
>
> Thanks for your help.
>
> Roman Osman
> Professor
> Department of Pharmacological Sciences
> Mount Sinai School of Medicine
> New York, NY 10029
> (212) 659-8627
> roman.osman.mssm.edu<mailto:roman.osman.mssm.edu>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--------------------------------------
Dr. Hector A. Baldoni
Profesor Adjunto (FQByF-UNSL)
Investigador Adjunto (IMASL-CONICET)
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
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Received on Sun Nov 12 2017 - 15:00:03 PST
