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This repository has been archived by the owner on Jul 10, 2024. It is now read-only.
thanks a lot
so if I checked correctly the options I can insert for now are:
-Doutput-format={smi,smiles,sdf} default= smi
-Dkeep-salt={true|false} default = true
-Dlychi-keto-enol={true|false} - default=false
Is it possible to add these options in readme?
N.B. reading the comments the option to keto-enol tautomerism activation is -Dketo-enol=true, but as I desumed from the code the correct one is -Dlychi-keto-enol=true
when i run the test
java -jar dist/lychi-all-v0.1.jar tests/standardizer_case1.smi
i'm not able to find output, it only print results on command line
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