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Previous to dos | MS will send workflow from collaborator group that takes a mol2 and capping atom indices as inputs, and produces a polymer. CD will draft a project page with goals in order and specified milestones CD will experiment with an automated process that handles “monomer information type 1”. Ultimate method signature will be make_substructures([monomer_info_sources], [pdbs_to_load])--> substructure_information . The output format isn’t super well specified, but should have equivalent information content to CD’s current substructure dict format (with noncapturing atoms allowed)
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