You can remove the superatom SMILES from superatom.txt file then it should not get expanded.
Just create your own version of superatom.txt and run osra with a command line option -a:
osra -a mysuperatom.txt
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You can remove the superatom SMILES from superatom.txt file then it should not get expanded.
Just create your own version of superatom.txt and run osra with a command line option -a:
osra -a mysuperatom.txt
It works, Thanks!
Last edit: frankro 2020-01-06