create heparan sulfate using pyrosetta

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    • December 16, 2018 at 7:11 am #3059
      Anonymous

        Hi,

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

        Many thanks,

        Tarsis

      • December 16, 2018 at 12:26 pm #14542
        Anonymous

          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.

          • December 17, 2018 at 4:21 am #14543
            Anonymous

              Perfect many thanks.

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