GLYCAM-Web / gmml

Glycam Molecular Modeling Library
GNU Lesser General Public License v3.0
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Add test that takes sequences, builds 3D structures, runs sugar ID and checks the sequences match the inputs. #141

Open gitoliver opened 2 years ago

gitoliver commented 2 years ago

Make a gmml level test that: Compiles test 013 but keeps the folder of output 3D structures. Takes all the pdb file outputs and runs sugar id on them. Checks that the sequence generated by sugar ID is equivalent to the input sequence for test 013, completing the cycle.