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GLYCAM-Web / gmml

Glycam Molecular Modeling Library
GNU Lesser General Public License v3.0
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Branches that include a 1-5 do not build. #168

Closed gitoliver closed 5 months ago

gitoliver commented 7 months ago

For example, the following works, but can only be displayed if typed in, the GUI builder gives no option for such a linkage: LArafa1-5LArafa1-5LArafa1-OH

But the following doesn't work: LArafa1-5[LArafa1-2]LArafa1-5LArafa1-OH But the following does work: LArafa1-3[LArafa1-2]LArafa1-3LArafa1-OH

We were missing two things: 1) A code for the combination of 5 with other linkages. Xiao has provided these and they are available in gmml here. 2) Parameter files for those residues. I (Oliver) have generated them in lib file format here. But I haven't switched over to using that lib file yet. So the above will continue to fail until I make the switch.

Note write: Chad Masarweh when you fix this.

gitoliver commented 6 months ago

Fix coming when the juggle_testBranchFreeze gets merged in.

gitoliver commented 5 months ago

Fix in gmml-test.