AMBIT-TAUTOMER example application

Notes

• this is a download for the example application, code at https://github.com/ideaconsult/examples-ambit/tree/master/tautomers-example

• For large scale tautomer generation (and standardisation options), please use ambitcli instead.

Run

    >java -jar ambit-tautomers-example-1.0.0.jar -h
    Tautomer generation by ambit-tautomers package
    usage: net.idea.example.ambit.tautomers.MainApp
    -f,--file <file>        Input file name ( .sdf | .txt  | .csv | .cml ) -
                            recognised by extension!
    -h,--help               Tautomer generation by ambit-tautomers package
    -o,--output <output>    Output file name ( .sdf | .txt  | .csv | .cml |
                            .n3 ) - recognised by extension!
    -t,--tautomers <file>   all: Write all tautomers; best: Write only the
                            best tautomer
    Examples:
    Read file and write all tautomers to the standard out :
    java -jar example-ambit-tautomers-jar-with-dependencies.jar     -f filename.sdf
    Examples:
    Read file and write only the best tautomers to an SDF file :
    java -jar example-ambit-tautomers-jar-with-dependencies.jar     -f filename.sdf -o tautomers.sdf -t best