Open marcabrus opened 6 years ago
You can use the -Doutput={name}
option to write the output to a file {name}
, e.g.,
java -Doutput=test.smi -jar dist/lychi-all-v0.1.jar tests/standardizer_case1.smi
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
Will do, thanks for the suggestion!
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