We'll revisit several of the contrib programs. We'll see if they handle reactions as written, and make modifications if necessary for those which don't work correctly.
dt_getrole()). Compile and test.
smarts_filterand run it. Give a molecule SMARTS (eg. "CCC") and see the results when entering both molecule and reaction SMILES.
dt_count(pathset,TYP_PATH)). For reaction queries, identify where the matches occur (eg. in the reactant, product, agent, or combination thereof).