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create heparan sulfate using pyrosetta

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create heparan sulfate using pyrosetta
#1

Hi,

Would anyone know how to create a glycosaminoglycan (heparan sulfate, chondroitin sulfate, hyaluronic acid) using pyrosetta?

Many thanks,

Tarsis

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Sat, 2018-12-15 23:11
tarsis

You should be able to import the function core.pose.pose_from_saccharide_sequence and use, for example:

pose = pose_from_saccharide_sequence( "b-D-GlcpNS6S-(1->4)-b-L-GulpA-(1->4)-b-D-GlcpNS6S-(1->4)-b-L-GulpA" )

If you have any issues, e-mail me directly at JWLabonte@jhu.edu.

I should also note that Rosetta is not very good at handling the electrostatics of sulfates, though.

Sun, 2018-12-16 04:26
Labonte

Perfect many thanks.

Sun, 2018-12-16 20:21
tarsis